smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305793904 1069310903 /nfs/dbraw/zinc/31/09/03/1069310903.db2.gz GZCYZURHMGNTET-HYBUGGRVSA-N 1 1 498.672 3.051 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305795181 1069314119 /nfs/dbraw/zinc/31/41/19/1069314119.db2.gz OTALACNOGMICGI-ZFGGDYGUSA-N 1 1 498.672 3.274 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305795539 1069314839 /nfs/dbraw/zinc/31/48/39/1069314839.db2.gz QBOBXUUHRDTVOG-BVSLBCMMSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(Nc2cnn(C)c2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001305800832 1069322708 /nfs/dbraw/zinc/32/27/08/1069322708.db2.gz NCJVVKLVGKDHQI-LJQANCHMSA-N 1 1 454.579 3.494 20 0 JGADMO CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001305804648 1069329934 /nfs/dbraw/zinc/32/99/34/1069329934.db2.gz HWXDTEYPFJXDJL-TZIWHRDSSA-N 1 1 463.586 3.061 20 0 JGADMO CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)OC ZINC001305805391 1069332085 /nfs/dbraw/zinc/33/20/85/1069332085.db2.gz BFOWOXMMJLHLRH-WOJBJXKFSA-N 1 1 452.603 3.384 20 0 JGADMO CC[C@H](Cn1c(C)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001305809710 1069339515 /nfs/dbraw/zinc/33/95/15/1069339515.db2.gz RROFXQSDGOSOGJ-HSZRJFAPSA-N 1 1 485.677 3.144 20 0 JGADMO CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305810014 1069340294 /nfs/dbraw/zinc/34/02/94/1069340294.db2.gz OAIKDRMZCJWVOV-SFHLNBCPSA-N 1 1 461.582 3.141 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305814403 1069346290 /nfs/dbraw/zinc/34/62/90/1069346290.db2.gz GDWULFBHDJKIER-NRFANRHFSA-N 1 1 477.053 3.404 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305814403 1069346302 /nfs/dbraw/zinc/34/63/02/1069346302.db2.gz GDWULFBHDJKIER-NRFANRHFSA-N 1 1 477.053 3.404 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305814680 1069346972 /nfs/dbraw/zinc/34/69/72/1069346972.db2.gz PJLICDYOCWLUFB-CLOONOSVSA-N 1 1 488.633 3.451 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305818512 1069353624 /nfs/dbraw/zinc/35/36/24/1069353624.db2.gz PMWPDFSHRMQKCP-QFIPXVFZSA-N 1 1 493.656 3.299 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305818512 1069353642 /nfs/dbraw/zinc/35/36/42/1069353642.db2.gz PMWPDFSHRMQKCP-QFIPXVFZSA-N 1 1 493.656 3.299 20 0 JGADMO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001305824746 1069362432 /nfs/dbraw/zinc/36/24/32/1069362432.db2.gz MRAQPMJUSUHQDT-XQBPLPMBSA-N 1 1 485.608 3.221 20 0 JGADMO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001305824746 1069362440 /nfs/dbraw/zinc/36/24/40/1069362440.db2.gz MRAQPMJUSUHQDT-XQBPLPMBSA-N 1 1 485.608 3.221 20 0 JGADMO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305825695 1069364749 /nfs/dbraw/zinc/36/47/49/1069364749.db2.gz BPVGDUTVRDMFEK-SFTDATJTSA-N 1 1 499.660 3.110 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837303 1069380470 /nfs/dbraw/zinc/38/04/70/1069380470.db2.gz SEOWJVROPUMOKT-PLACYPQZSA-N 1 1 494.681 3.021 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837303 1069380477 /nfs/dbraw/zinc/38/04/77/1069380477.db2.gz SEOWJVROPUMOKT-PLACYPQZSA-N 1 1 494.681 3.021 20 0 JGADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305841076 1069389003 /nfs/dbraw/zinc/38/90/03/1069389003.db2.gz HILGFIPLFWUGJO-HMXCVIKNSA-N 1 1 469.634 3.240 20 0 JGADMO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305842549 1069391451 /nfs/dbraw/zinc/39/14/51/1069391451.db2.gz BVNKXHLGICJTGF-PWRODBHTSA-N 1 1 486.665 3.116 20 0 JGADMO CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305846000 1069395746 /nfs/dbraw/zinc/39/57/46/1069395746.db2.gz PPWATMIJGZIRDW-LEWJYISDSA-N 1 1 478.037 3.197 20 0 JGADMO CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305846000 1069395753 /nfs/dbraw/zinc/39/57/53/1069395753.db2.gz PPWATMIJGZIRDW-LEWJYISDSA-N 1 1 478.037 3.197 20 0 JGADMO CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305849878 1069401752 /nfs/dbraw/zinc/40/17/52/1069401752.db2.gz VMVWDBNFWIKYKD-LEWJYISDSA-N 1 1 457.619 3.235 20 0 JGADMO CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305849878 1069401762 /nfs/dbraw/zinc/40/17/62/1069401762.db2.gz VMVWDBNFWIKYKD-LEWJYISDSA-N 1 1 457.619 3.235 20 0 JGADMO CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305849880 1069402245 /nfs/dbraw/zinc/40/22/45/1069402245.db2.gz VMVWDBNFWIKYKD-RTWAWAEBSA-N 1 1 457.619 3.235 20 0 JGADMO CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305849880 1069402249 /nfs/dbraw/zinc/40/22/49/1069402249.db2.gz VMVWDBNFWIKYKD-RTWAWAEBSA-N 1 1 457.619 3.235 20 0 JGADMO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001305850859 1069404104 /nfs/dbraw/zinc/40/41/04/1069404104.db2.gz UPZMLMKWKFJCGE-YRPNKDGESA-N 1 1 462.639 3.148 20 0 JGADMO CCC(O)(CC)Cn1c(N2CC[NH+](CCOc3cccc(OC)c3)CC2)nnc1C(C)(C)C ZINC001305856789 1069411020 /nfs/dbraw/zinc/41/10/20/1069411020.db2.gz FVQTZOGULUWDDY-UHFFFAOYSA-N 1 1 459.635 3.336 20 0 JGADMO CC[C@]1(C)CC[C@H](Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)O1 ZINC001305861583 1069418429 /nfs/dbraw/zinc/41/84/29/1069418429.db2.gz VMZRGBVTXZEMOT-PXDATVDWSA-N 1 1 456.635 3.482 20 0 JGADMO CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)C1 ZINC001305868764 1069424018 /nfs/dbraw/zinc/42/40/18/1069424018.db2.gz ULTWJPVGMQYJEB-FQEVSTJZSA-N 1 1 451.413 3.384 20 0 JGADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001305883001 1069436393 /nfs/dbraw/zinc/43/63/93/1069436393.db2.gz QAJGEELSDQZZCV-AXHZCLLHSA-N 1 1 455.607 3.051 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001305884343 1069439508 /nfs/dbraw/zinc/43/95/08/1069439508.db2.gz BBKMUMJBAVQNCR-RUZDIDTESA-N 1 1 473.618 3.078 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001305884343 1069439517 /nfs/dbraw/zinc/43/95/17/1069439517.db2.gz BBKMUMJBAVQNCR-RUZDIDTESA-N 1 1 473.618 3.078 20 0 JGADMO CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001305892300 1069449501 /nfs/dbraw/zinc/44/95/01/1069449501.db2.gz ADMNLVRKTWTOLN-RUZDIDTESA-N 1 1 473.618 3.054 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001305893862 1069451098 /nfs/dbraw/zinc/45/10/98/1069451098.db2.gz WXWZEFFODMYCHE-KOSHJBKYSA-N 1 1 463.573 3.121 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001305893688 1069451115 /nfs/dbraw/zinc/45/11/15/1069451115.db2.gz OFIRSBOYIKCEQH-OFVILXPXSA-N 1 1 463.667 3.304 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305918780 1069474249 /nfs/dbraw/zinc/47/42/49/1069474249.db2.gz MHFNXELOGMLLKA-FKBYEOEOSA-N 1 1 475.659 3.008 20 0 JGADMO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc[nH]2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298234992 1064140719 /nfs/dbraw/zinc/14/07/19/1064140719.db2.gz DAGMOPHOJGRCSG-UHFFFAOYSA-N 1 1 457.667 3.332 20 0 JGADMO CN(CC(C)(C)C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001298235671 1064141421 /nfs/dbraw/zinc/14/14/21/1064141421.db2.gz XJPBZSDNJGEESO-XMMPIXPASA-N 1 1 467.706 3.465 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1CCCNC(=O)OC(C)(C)C ZINC001298235512 1064141498 /nfs/dbraw/zinc/14/14/98/1064141498.db2.gz GMLFGHLNHGXTTQ-UHFFFAOYSA-N 1 1 487.649 3.050 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@@](C)(O)c1ccsc1 ZINC001298238869 1064142779 /nfs/dbraw/zinc/14/27/79/1064142779.db2.gz BKLKMOYSSXQFOD-RUZDIDTESA-N 1 1 484.670 3.028 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CCc1ccc(Cl)s1 ZINC001298240277 1064145333 /nfs/dbraw/zinc/14/53/33/1064145333.db2.gz PNLSRQDICPQDTE-UHFFFAOYSA-N 1 1 495.093 3.153 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2cn3ccccc3n2)n1CCOC(C)(C)C ZINC001298240487 1064146095 /nfs/dbraw/zinc/14/60/95/1064146095.db2.gz RNCNOHMQWDGSRO-UHFFFAOYSA-N 1 1 483.661 3.126 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(O)CCC1 ZINC001298240793 1064146560 /nfs/dbraw/zinc/14/65/60/1064146560.db2.gz XAZHTTSYCTVDSB-NHCUHLMSSA-N 1 1 477.694 3.296 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@H]2CCCO2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298257779 1064154386 /nfs/dbraw/zinc/15/43/86/1064154386.db2.gz YCFBAZMEEKQOLQ-RTBURBONSA-N 1 1 453.509 3.419 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298261413 1064156931 /nfs/dbraw/zinc/15/69/31/1064156931.db2.gz HTKWNCAMVMSYMY-SJLPKXTDSA-N 1 1 484.464 3.437 20 0 JGADMO CN(Cc1cc(Cl)ccn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001298261968 1064157283 /nfs/dbraw/zinc/15/72/83/1064157283.db2.gz IVBZUKFUKFQWJU-GHTZIAJQSA-N 1 1 489.045 3.168 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298275020 1064165745 /nfs/dbraw/zinc/16/57/45/1064165745.db2.gz QSCXQEAMIYIGNF-GOSISDBHSA-N 1 1 478.435 3.292 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001298275020 1064165752 /nfs/dbraw/zinc/16/57/52/1064165752.db2.gz QSCXQEAMIYIGNF-GOSISDBHSA-N 1 1 478.435 3.292 20 0 JGADMO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc(-c2cnccn2)n1CCC[NH+]1CCOCC1 ZINC001298286337 1064173907 /nfs/dbraw/zinc/17/39/07/1064173907.db2.gz ULSLXFIZNSARAV-UHFFFAOYSA-N 1 1 461.492 3.113 20 0 JGADMO CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)[C@H]1c1ccc(Cl)c(F)c1 ZINC001298288264 1064174354 /nfs/dbraw/zinc/17/43/54/1064174354.db2.gz IXPDFRUTIGQWMT-LLGFUMIMSA-N 1 1 453.986 3.130 20 0 JGADMO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CC=CCC1 ZINC001298302606 1064183234 /nfs/dbraw/zinc/18/32/34/1064183234.db2.gz CPDBKKLUHIHGDA-UHFFFAOYSA-N 1 1 480.510 3.457 20 0 JGADMO CN(Cc1ccc(F)cc1F)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298313288 1064188509 /nfs/dbraw/zinc/18/85/09/1064188509.db2.gz RTHHOOQAWHYMBG-NRFANRHFSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298321600 1064197438 /nfs/dbraw/zinc/19/74/38/1064197438.db2.gz VXEFEJDDMMXBTQ-WEZXKFLESA-N 1 1 459.660 3.278 20 0 JGADMO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(C2CCCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298322075 1064197954 /nfs/dbraw/zinc/19/79/54/1064197954.db2.gz XHEKREHVVFUNQX-JGCGQSQUSA-N 1 1 459.660 3.420 20 0 JGADMO C[C@@H](CCc1ccc(I)cc1)CC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001298329348 1064204721 /nfs/dbraw/zinc/20/47/21/1064204721.db2.gz ZKQHQBFGPOHAJN-QFBILLFUSA-N 1 1 458.384 3.213 20 0 JGADMO C[C@@H](CCc1ccc(I)cc1)CC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001298329342 1064204747 /nfs/dbraw/zinc/20/47/47/1064204747.db2.gz ZKQHQBFGPOHAJN-LPHOPBHVSA-N 1 1 458.384 3.213 20 0 JGADMO C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001298329350 1064204815 /nfs/dbraw/zinc/20/48/15/1064204815.db2.gz ZKQHQBFGPOHAJN-VQIMIIECSA-N 1 1 458.384 3.213 20 0 JGADMO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC001298340816 1064209169 /nfs/dbraw/zinc/20/91/69/1064209169.db2.gz JIZHGTYXHXNTPU-INIZCTEOSA-N 1 1 454.527 3.089 20 0 JGADMO CN(Cc1ccccc1)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001298343157 1064211383 /nfs/dbraw/zinc/21/13/83/1064211383.db2.gz IWHQSKVZUQJNEA-UHFFFAOYSA-N 1 1 475.641 3.233 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC(C)(C)C)C1 ZINC001298349283 1064213170 /nfs/dbraw/zinc/21/31/70/1064213170.db2.gz BYPKKPNKMCWXPE-NRFANRHFSA-N 1 1 461.614 3.356 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C(C)(C)C)C1 ZINC001298350341 1064213716 /nfs/dbraw/zinc/21/37/16/1064213716.db2.gz IJZLBDZGFUTRBK-HSZRJFAPSA-N 1 1 475.641 3.137 20 0 JGADMO CN(Cc1ccccc1Br)c1nnc(Cc2ccncc2)n1CCC[NH+]1CCOCC1 ZINC001298351128 1064214661 /nfs/dbraw/zinc/21/46/61/1064214661.db2.gz QQNGIQPIHCKOHI-UHFFFAOYSA-N 1 1 485.430 3.385 20 0 JGADMO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1OC ZINC001298379106 1064226422 /nfs/dbraw/zinc/22/64/22/1064226422.db2.gz ZAQVGFPJYXUAOH-KFKAGJAMSA-N 1 1 453.539 3.117 20 0 JGADMO CNC(=O)Oc1cccc(NC(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001298399637 1064234833 /nfs/dbraw/zinc/23/48/33/1064234833.db2.gz JUPIUUJKOAXVGZ-FQEVSTJZSA-N 1 1 456.543 3.369 20 0 JGADMO CN(Cc1ccoc1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001298418385 1064243726 /nfs/dbraw/zinc/24/37/26/1064243726.db2.gz IDAMPAIYSKOIKD-PGUFJCEWSA-N 1 1 498.697 3.419 20 0 JGADMO CC(C)c1nc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001298437114 1064251171 /nfs/dbraw/zinc/25/11/71/1064251171.db2.gz BTSPPDCDJJVUNI-UHFFFAOYSA-N 1 1 451.402 3.017 20 0 JGADMO CN(Cc1nccs1)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298460632 1064261372 /nfs/dbraw/zinc/26/13/72/1064261372.db2.gz JNSJLUBFAYZBIN-UHFFFAOYSA-N 1 1 462.570 3.351 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc(CC(C)(C)C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298462047 1064263213 /nfs/dbraw/zinc/26/32/13/1064263213.db2.gz FMPFWYRVZGWTIK-INIZCTEOSA-N 1 1 452.598 3.480 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCOCC1 ZINC001298535550 1064297898 /nfs/dbraw/zinc/29/78/98/1064297898.db2.gz GSBXTJMNPORTCS-MRXNPFEDSA-N 1 1 484.464 3.497 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298542445 1064303563 /nfs/dbraw/zinc/30/35/63/1064303563.db2.gz WCXTVSVNEUCWFZ-SFHVURJKSA-N 1 1 463.573 3.263 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298542445 1064303580 /nfs/dbraw/zinc/30/35/80/1064303580.db2.gz WCXTVSVNEUCWFZ-SFHVURJKSA-N 1 1 463.573 3.263 20 0 JGADMO CN(C[C@H]1CCCN(c2nnc(C3CCC3)n2CCC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298548295 1064311894 /nfs/dbraw/zinc/31/18/94/1064311894.db2.gz PYZHZUPFOZVQAI-HXUWFJFHSA-N 1 1 476.666 3.351 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1CCOCC1 ZINC001298554493 1064320401 /nfs/dbraw/zinc/32/04/01/1064320401.db2.gz FUBWONOPHNCYNJ-QGZVFWFLSA-N 1 1 451.974 3.323 20 0 JGADMO CC(C)N1CC[NH+](CCC(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC001298567454 1064338527 /nfs/dbraw/zinc/33/85/27/1064338527.db2.gz WLQWGGZILAAGPG-RCZVLFRGSA-N 1 1 455.574 3.109 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCC(=O)N2)n1CCOC(C)(C)C ZINC001298567982 1064340418 /nfs/dbraw/zinc/34/04/18/1064340418.db2.gz PABPUSOFGDEIPB-SFTDATJTSA-N 1 1 454.619 3.003 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(Br)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298570332 1064344608 /nfs/dbraw/zinc/34/46/08/1064344608.db2.gz HKCNAHWDOWCXGR-RXVVDRJESA-N 1 1 492.462 3.417 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298572228 1064347113 /nfs/dbraw/zinc/34/71/13/1064347113.db2.gz XEENWUDNUIGQOV-PKOBYXMFSA-N 1 1 466.001 3.447 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001298583517 1064357127 /nfs/dbraw/zinc/35/71/27/1064357127.db2.gz NKPNEVURWABYQV-JOCHJYFZSA-N 1 1 471.646 3.026 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298593093 1064366564 /nfs/dbraw/zinc/36/65/64/1064366564.db2.gz GOBGNXYUWCDZMW-UHFFFAOYSA-N 1 1 469.508 3.216 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298593917 1064368903 /nfs/dbraw/zinc/36/89/03/1064368903.db2.gz NPUQPFNICPOOQI-IBGZPJMESA-N 1 1 475.519 3.415 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001298595205 1064371246 /nfs/dbraw/zinc/37/12/46/1064371246.db2.gz DUVYULMTBZWPLC-CVEARBPZSA-N 1 1 491.605 3.467 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001298601858 1064376626 /nfs/dbraw/zinc/37/66/26/1064376626.db2.gz PUGQQGJBNLDCAT-MRXNPFEDSA-N 1 1 464.542 3.214 20 0 JGADMO CN(CCc1nccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298639653 1064413585 /nfs/dbraw/zinc/41/35/85/1064413585.db2.gz QCEVWKIWSBZZII-UYAOXDASSA-N 1 1 476.691 3.443 20 0 JGADMO CN(CCc1nccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298639653 1064413595 /nfs/dbraw/zinc/41/35/95/1064413595.db2.gz QCEVWKIWSBZZII-UYAOXDASSA-N 1 1 476.691 3.443 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298654916 1064429940 /nfs/dbraw/zinc/42/99/40/1064429940.db2.gz PIQCKJIUGNNCTP-UHFFFAOYSA-N 1 1 483.064 3.484 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298654916 1064429949 /nfs/dbraw/zinc/42/99/49/1064429949.db2.gz PIQCKJIUGNNCTP-UHFFFAOYSA-N 1 1 483.064 3.484 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298654916 1064429953 /nfs/dbraw/zinc/42/99/53/1064429953.db2.gz PIQCKJIUGNNCTP-UHFFFAOYSA-N 1 1 483.064 3.484 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(C(C)(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001298655007 1064430016 /nfs/dbraw/zinc/43/00/16/1064430016.db2.gz QUBBTJNYFBZMLV-DEOSSOPVSA-N 1 1 458.676 3.248 20 0 JGADMO CC[C@H](C(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001298661601 1064438604 /nfs/dbraw/zinc/43/86/04/1064438604.db2.gz WJKIDDXKEMJWKH-NAVOZUGXSA-N 1 1 457.615 3.429 20 0 JGADMO CC[C@H](C(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001298661601 1064438609 /nfs/dbraw/zinc/43/86/09/1064438609.db2.gz WJKIDDXKEMJWKH-NAVOZUGXSA-N 1 1 457.615 3.429 20 0 JGADMO CN(CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)CC(F)(F)F ZINC001298670913 1064454445 /nfs/dbraw/zinc/45/44/45/1064454445.db2.gz YTKJPATZWBMMAQ-NRFANRHFSA-N 1 1 490.578 3.274 20 0 JGADMO CN(c1nnc(CCc2ccccc2)n1CCC[N@@H+](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001298675269 1064462667 /nfs/dbraw/zinc/46/26/67/1064462667.db2.gz FCBRSLDGCMEGLS-QHCPKHFHSA-N 1 1 473.687 3.341 20 0 JGADMO CN(CCCn1c(CCOc2ccccc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)CC(F)(F)F ZINC001298675647 1064463699 /nfs/dbraw/zinc/46/36/99/1064463699.db2.gz LJRVKAJHXGAFBF-FQEVSTJZSA-N 1 1 480.579 3.458 20 0 JGADMO CN(CCCn1c(CCc2ccccc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)CC(F)(F)F ZINC001298675399 1064463736 /nfs/dbraw/zinc/46/37/36/1064463736.db2.gz HDUZYXGOXJVCBO-XMMPIXPASA-N 1 1 494.606 3.249 20 0 JGADMO C[C@@H]1CN(C(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)C[C@H](C)[N@H+]1C ZINC001298677212 1064466308 /nfs/dbraw/zinc/46/63/08/1064466308.db2.gz RFDZCDGPWFDIDM-IYBDPMFKSA-N 1 1 451.409 3.112 20 0 JGADMO C[C@@H]1CN(C(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)C[C@H](C)[N@@H+]1C ZINC001298677212 1064466316 /nfs/dbraw/zinc/46/63/16/1064466316.db2.gz RFDZCDGPWFDIDM-IYBDPMFKSA-N 1 1 451.409 3.112 20 0 JGADMO CN(CCCNC(=O)C1CCC1)c1nnc(Cc2ccncc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298684062 1064479290 /nfs/dbraw/zinc/47/92/90/1064479290.db2.gz RWTJTSRWFSVQHB-JOCHJYFZSA-N 1 1 467.662 3.127 20 0 JGADMO C[N@@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1)C1CCCC1 ZINC001298697206 1064498200 /nfs/dbraw/zinc/49/82/00/1064498200.db2.gz CAZKIGQBBVGKJD-QFIPXVFZSA-N 1 1 493.425 3.423 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C1CCCC1 ZINC001298697622 1064499948 /nfs/dbraw/zinc/49/99/48/1064499948.db2.gz OLDWRZXAOCRCGK-UHFFFAOYSA-N 1 1 495.093 3.239 20 0 JGADMO C[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CCCC1 ZINC001298697747 1064500528 /nfs/dbraw/zinc/50/05/28/1064500528.db2.gz IFSCSEQIKVKAQX-QFIPXVFZSA-N 1 1 475.435 3.284 20 0 JGADMO C[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC(C)(C)C1)Cc1ccccc1 ZINC001298698459 1064501893 /nfs/dbraw/zinc/50/18/93/1064501893.db2.gz QVKQWAQFXCDMPH-UHFFFAOYSA-N 1 1 465.627 3.389 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001298705323 1064509363 /nfs/dbraw/zinc/50/93/63/1064509363.db2.gz DTLVECGBWVDDFN-IBGZPJMESA-N 1 1 468.650 3.131 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC001298706205 1064511683 /nfs/dbraw/zinc/51/16/83/1064511683.db2.gz QHYHLBSEPAUSMA-MSOLQXFVSA-N 1 1 450.509 3.140 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001298707740 1064513843 /nfs/dbraw/zinc/51/38/43/1064513843.db2.gz DEJSTDFIVBIROM-WOJBJXKFSA-N 1 1 476.666 3.398 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CCCC1 ZINC001298710074 1064515835 /nfs/dbraw/zinc/51/58/35/1064515835.db2.gz XCXFTDSJAQPJJS-SFTDATJTSA-N 1 1 474.694 3.425 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CCCC1 ZINC001298711596 1064517152 /nfs/dbraw/zinc/51/71/52/1064517152.db2.gz ABRWCCNVJNYDSB-FQEVSTJZSA-N 1 1 466.051 3.020 20 0 JGADMO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)C1CCCCC1 ZINC001298713407 1064521130 /nfs/dbraw/zinc/52/11/30/1064521130.db2.gz QUNABEPAYUILNN-UHFFFAOYSA-N 1 1 487.737 3.266 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001298713821 1064521923 /nfs/dbraw/zinc/52/19/23/1064521923.db2.gz WNGLBLBIAJZVHD-IBGZPJMESA-N 1 1 459.038 3.489 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001298713823 1064522230 /nfs/dbraw/zinc/52/22/30/1064522230.db2.gz WNGLBLBIAJZVHD-LJQANCHMSA-N 1 1 459.038 3.489 20 0 JGADMO CN(CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001298715070 1064524687 /nfs/dbraw/zinc/52/46/87/1064524687.db2.gz SFJLNVAVWCOZBP-YADHBBJMSA-N 1 1 484.645 3.360 20 0 JGADMO CN(CCn1c(CCc2ccccc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)CC(F)(F)F ZINC001298717752 1064528180 /nfs/dbraw/zinc/52/81/80/1064528180.db2.gz RBAKFLMHCVEPGG-FQEVSTJZSA-N 1 1 450.553 3.232 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)Cc1ccccc1 ZINC001298721170 1064532582 /nfs/dbraw/zinc/53/25/82/1064532582.db2.gz XCCROLUBRPJEEH-BHDDXSALSA-N 1 1 468.646 3.030 20 0 JGADMO CN(CCn1cccn1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298725908 1064534594 /nfs/dbraw/zinc/53/45/94/1064534594.db2.gz ZWBZDYVLFHZZGG-UHFFFAOYSA-N 1 1 464.662 3.017 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCSC1(C)C ZINC001298727144 1064535458 /nfs/dbraw/zinc/53/54/58/1064535458.db2.gz BSGYQFYQQNMDQP-SFHVURJKSA-N 1 1 487.674 3.004 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCSC1(C)C ZINC001298727144 1064535474 /nfs/dbraw/zinc/53/54/74/1064535474.db2.gz BSGYQFYQQNMDQP-SFHVURJKSA-N 1 1 487.674 3.004 20 0 JGADMO C[N@@H+](CCN1CCN(c2nnc(Cc3cccnc3)n2CC(F)(F)F)CC1)Cc1ccccc1 ZINC001298727205 1064536042 /nfs/dbraw/zinc/53/60/42/1064536042.db2.gz AYLMTVJKBRONGW-UHFFFAOYSA-N 1 1 473.547 3.080 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Cl)n1CCNC(=O)c1ccco1 ZINC001298727799 1064538019 /nfs/dbraw/zinc/53/80/19/1064538019.db2.gz IVYNAJZULPMSJK-UHFFFAOYSA-N 1 1 487.004 3.169 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Cl)n1CCNC(=O)c1ccco1 ZINC001298727799 1064538030 /nfs/dbraw/zinc/53/80/30/1064538030.db2.gz IVYNAJZULPMSJK-UHFFFAOYSA-N 1 1 487.004 3.169 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001298727922 1064538058 /nfs/dbraw/zinc/53/80/58/1064538058.db2.gz KRHIBXXSOZZPEV-LJQANCHMSA-N 1 1 487.649 3.220 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001298727922 1064538071 /nfs/dbraw/zinc/53/80/71/1064538071.db2.gz KRHIBXXSOZZPEV-LJQANCHMSA-N 1 1 487.649 3.220 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccco1 ZINC001298727830 1064538098 /nfs/dbraw/zinc/53/80/98/1064538098.db2.gz JITHMCDRTUDXKN-UHFFFAOYSA-N 1 1 463.380 3.224 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccco1 ZINC001298727830 1064538113 /nfs/dbraw/zinc/53/81/13/1064538113.db2.gz JITHMCDRTUDXKN-UHFFFAOYSA-N 1 1 463.380 3.224 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC1 ZINC001298728162 1064539424 /nfs/dbraw/zinc/53/94/24/1064539424.db2.gz NAIAXVMNOYNPSK-KRWDZBQOSA-N 1 1 478.435 3.291 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC1 ZINC001298728162 1064539440 /nfs/dbraw/zinc/53/94/40/1064539440.db2.gz NAIAXVMNOYNPSK-KRWDZBQOSA-N 1 1 478.435 3.291 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CCCO[C@H]1CCOC1 ZINC001298728518 1064540669 /nfs/dbraw/zinc/54/06/69/1064540669.db2.gz VPWXYQLLCUQCFS-IBGZPJMESA-N 1 1 496.027 3.480 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CCCO[C@H]1CCOC1 ZINC001298728518 1064540681 /nfs/dbraw/zinc/54/06/81/1064540681.db2.gz VPWXYQLLCUQCFS-IBGZPJMESA-N 1 1 496.027 3.480 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C(F)(F)F ZINC001298728528 1064541142 /nfs/dbraw/zinc/54/11/42/1064541142.db2.gz VZMSHMUBCMFYQU-UHFFFAOYSA-N 1 1 477.535 3.293 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C(F)(F)F ZINC001298728528 1064541151 /nfs/dbraw/zinc/54/11/51/1064541151.db2.gz VZMSHMUBCMFYQU-UHFFFAOYSA-N 1 1 477.535 3.293 20 0 JGADMO C[N@@H+](CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1)Cc1ccccc1 ZINC001298728535 1064541551 /nfs/dbraw/zinc/54/15/51/1064541551.db2.gz VIQGPQHAJHLPQT-NRFANRHFSA-N 1 1 476.616 3.254 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1Cc1nccs1 ZINC001298728802 1064542587 /nfs/dbraw/zinc/54/25/87/1064542587.db2.gz AVWHSIXYRLWPQW-UHFFFAOYSA-N 1 1 462.570 3.199 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1Cc1nccs1 ZINC001298728802 1064542606 /nfs/dbraw/zinc/54/26/06/1064542606.db2.gz AVWHSIXYRLWPQW-UHFFFAOYSA-N 1 1 462.570 3.199 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1CCOCc1ccccc1 ZINC001298728841 1064542923 /nfs/dbraw/zinc/54/29/23/1064542923.db2.gz BNXGADFPGORVFG-QFIPXVFZSA-N 1 1 457.619 3.284 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1CCOCc1ccccc1 ZINC001298728841 1064542934 /nfs/dbraw/zinc/54/29/34/1064542934.db2.gz BNXGADFPGORVFG-QFIPXVFZSA-N 1 1 457.619 3.284 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001298730006 1064543956 /nfs/dbraw/zinc/54/39/56/1064543956.db2.gz PHKDZMJMOZBEKI-SFHVURJKSA-N 1 1 474.616 3.298 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001298730006 1064543973 /nfs/dbraw/zinc/54/39/73/1064543973.db2.gz PHKDZMJMOZBEKI-SFHVURJKSA-N 1 1 474.616 3.298 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1CCCC1CCOCC1 ZINC001298730168 1064545229 /nfs/dbraw/zinc/54/52/29/1064545229.db2.gz UNEYLGQBEYNWQB-UHFFFAOYSA-N 1 1 456.635 3.018 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1CCCC1CCOCC1 ZINC001298730168 1064545245 /nfs/dbraw/zinc/54/52/45/1064545245.db2.gz UNEYLGQBEYNWQB-UHFFFAOYSA-N 1 1 456.635 3.018 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1Cc1ccc(F)c(Cl)c1 ZINC001298730208 1064545278 /nfs/dbraw/zinc/54/52/78/1064545278.db2.gz WCGHLTXRZJOBCT-UHFFFAOYSA-N 1 1 459.957 3.123 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1Cc1ccc(F)c(Cl)c1 ZINC001298730208 1064545293 /nfs/dbraw/zinc/54/52/93/1064545293.db2.gz WCGHLTXRZJOBCT-UHFFFAOYSA-N 1 1 459.957 3.123 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001298730355 1064545378 /nfs/dbraw/zinc/54/53/78/1064545378.db2.gz XJBXADLJLQLQSY-SFHVURJKSA-N 1 1 496.578 3.376 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001298730355 1064545394 /nfs/dbraw/zinc/54/53/94/1064545394.db2.gz XJBXADLJLQLQSY-SFHVURJKSA-N 1 1 496.578 3.376 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298750259 1064561265 /nfs/dbraw/zinc/56/12/65/1064561265.db2.gz RSVHUCWZIGACEU-YADHBBJMSA-N 1 1 468.646 3.045 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(Cc2cccnc2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001298754369 1064564524 /nfs/dbraw/zinc/56/45/24/1064564524.db2.gz KSFKIRPSHQZLGP-UHFFFAOYSA-N 1 1 478.641 3.396 20 0 JGADMO CN(CCOc1ccccc1F)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298767961 1064575492 /nfs/dbraw/zinc/57/54/92/1064575492.db2.gz BXZJCATZBCKRIU-UHFFFAOYSA-N 1 1 456.566 3.049 20 0 JGADMO CN(CCOc1ccccc1F)c1nnc(-c2cccn2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298767961 1064575502 /nfs/dbraw/zinc/57/55/02/1064575502.db2.gz BXZJCATZBCKRIU-UHFFFAOYSA-N 1 1 456.566 3.049 20 0 JGADMO CN(CCOc1ccccc1F)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298768053 1064576125 /nfs/dbraw/zinc/57/61/25/1064576125.db2.gz GLPGFTQHVMWIBC-UHFFFAOYSA-N 1 1 468.577 3.029 20 0 JGADMO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298775480 1064580294 /nfs/dbraw/zinc/58/02/94/1064580294.db2.gz JDJIEVVWFKQMNK-SFHVURJKSA-N 1 1 472.030 3.339 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc([C@H]2CCCOC2)n1CCCOC(F)(F)F ZINC001298781336 1064584842 /nfs/dbraw/zinc/58/48/42/1064584842.db2.gz BRYYWJXWCWUMFZ-CMKODMSKSA-N 1 1 499.582 3.351 20 0 JGADMO CN(C[C@H]1CCCO1)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298784906 1064588577 /nfs/dbraw/zinc/58/85/77/1064588577.db2.gz SZHMNELEZGWMBZ-HXUWFJFHSA-N 1 1 478.588 3.188 20 0 JGADMO CN(C[C@H]1CCCO1)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298784906 1064588594 /nfs/dbraw/zinc/58/85/94/1064588594.db2.gz SZHMNELEZGWMBZ-HXUWFJFHSA-N 1 1 478.588 3.188 20 0 JGADMO CN(C[C@H]1CCCO1)c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298784906 1064588611 /nfs/dbraw/zinc/58/86/11/1064588611.db2.gz SZHMNELEZGWMBZ-HXUWFJFHSA-N 1 1 478.588 3.188 20 0 JGADMO CN(C[C@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298790942 1064591924 /nfs/dbraw/zinc/59/19/24/1064591924.db2.gz SHXJQEMMHMNMHN-OAQYLSRUSA-N 1 1 477.053 3.152 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@]1(C)COCCO1 ZINC001298801142 1064598143 /nfs/dbraw/zinc/59/81/43/1064598143.db2.gz GTQKEDGVNYNKAP-QFIPXVFZSA-N 1 1 495.466 3.162 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[S@@](=O)C(C)(C)C ZINC001298801847 1064599364 /nfs/dbraw/zinc/59/93/64/1064599364.db2.gz RJYRHBUVULEEES-NOVUIFNWSA-N 1 1 497.507 3.268 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[S@@](=O)C(C)(C)C ZINC001298801847 1064599375 /nfs/dbraw/zinc/59/93/75/1064599375.db2.gz RJYRHBUVULEEES-NOVUIFNWSA-N 1 1 497.507 3.268 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[S@@](=O)C(C)(C)C ZINC001298801846 1064599439 /nfs/dbraw/zinc/59/94/39/1064599439.db2.gz RJYRHBUVULEEES-BJLXPSRBSA-N 1 1 497.507 3.268 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[S@@](=O)C(C)(C)C ZINC001298801846 1064599453 /nfs/dbraw/zinc/59/94/53/1064599453.db2.gz RJYRHBUVULEEES-BJLXPSRBSA-N 1 1 497.507 3.268 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(C(C)(C)O)cc3)CC2)cn1 ZINC001298827994 1064631280 /nfs/dbraw/zinc/63/12/80/1064631280.db2.gz JHPSGQMGBJNFEQ-UHFFFAOYSA-N 1 1 465.646 3.297 20 0 JGADMO Cc1cc(CNC(=O)c2cc(F)cc(I)c2N)cc(N2CCCC2)[nH+]1 ZINC001298842063 1064644464 /nfs/dbraw/zinc/64/44/64/1064644464.db2.gz VUJQEDJNBVFVFP-UHFFFAOYSA-N 1 1 454.287 3.246 20 0 JGADMO Cn1ccc(Nc2nnc(-c3ccc(Br)s3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001298843540 1064645999 /nfs/dbraw/zinc/64/59/99/1064645999.db2.gz WGNXJQROKJOVLZ-AWEZNQCLSA-N 1 1 480.436 3.483 20 0 JGADMO Cn1ccc(Nc2nnc(-c3cccc(Br)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001298843587 1064646891 /nfs/dbraw/zinc/64/68/91/1064646891.db2.gz XIUDNEOTCGHZJV-GOSISDBHSA-N 1 1 474.407 3.422 20 0 JGADMO Cn1ccc(Nc2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001298847530 1064651298 /nfs/dbraw/zinc/65/12/98/1064651298.db2.gz CORZZBOKXINSON-UHFFFAOYSA-N 1 1 490.406 3.208 20 0 JGADMO Cn1ccc(Nc2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001298847530 1064651302 /nfs/dbraw/zinc/65/13/02/1064651302.db2.gz CORZZBOKXINSON-UHFFFAOYSA-N 1 1 490.406 3.208 20 0 JGADMO CN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC001298877544 1064682424 /nfs/dbraw/zinc/68/24/24/1064682424.db2.gz GXOGYFVQNIWNSK-IBGZPJMESA-N 1 1 454.800 3.416 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC001298878206 1064683331 /nfs/dbraw/zinc/68/33/31/1064683331.db2.gz KMAIXIXLEIFBSU-GCJKJVERSA-N 1 1 478.435 3.026 20 0 JGADMO CN(Cc1ccsc1)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298879872 1064685077 /nfs/dbraw/zinc/68/50/77/1064685077.db2.gz QYTRTNPRYVGVSE-FQEVSTJZSA-N 1 1 462.417 3.472 20 0 JGADMO CN(Cc1csc(Br)c1)c1nnc(-c2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298879724 1064685218 /nfs/dbraw/zinc/68/52/18/1064685218.db2.gz PVQLZQMRIQOEPA-FQEVSTJZSA-N 1 1 462.417 3.472 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298880815 1064686975 /nfs/dbraw/zinc/68/69/75/1064686975.db2.gz AKMQTOUZUSLGFC-QFIPXVFZSA-N 1 1 486.444 3.482 20 0 JGADMO CN(c1nnc(CC2CC2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@H](CF)c1ccc(Br)cc1 ZINC001298881468 1064687542 /nfs/dbraw/zinc/68/75/42/1064687542.db2.gz FZQLQBXZMGQAKY-WIYYLYMNSA-N 1 1 466.399 3.207 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298882030 1064688538 /nfs/dbraw/zinc/68/85/38/1064688538.db2.gz OMYZJVCMYQYIER-MHZLTWQESA-N 1 1 485.673 3.474 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001298886176 1064692999 /nfs/dbraw/zinc/69/29/99/1064692999.db2.gz NOTMSUAMRYZMGD-QFBILLFUSA-N 1 1 466.051 3.342 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886373 1064693852 /nfs/dbraw/zinc/69/38/52/1064693852.db2.gz GDCJGGVPRCMXLE-NRFANRHFSA-N 1 1 489.064 3.080 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886368 1064693973 /nfs/dbraw/zinc/69/39/73/1064693973.db2.gz GCWZHOXUITZVFK-IAGOWNOFSA-N 1 1 457.541 3.250 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001298886196 1064694092 /nfs/dbraw/zinc/69/40/92/1064694092.db2.gz OHMGBMMGTUZGAR-LJQANCHMSA-N 1 1 476.572 3.369 20 0 JGADMO CN(CCOc1ccccc1Cl)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298886747 1064694930 /nfs/dbraw/zinc/69/49/30/1064694930.db2.gz SEWHVTSTHJFCNJ-IOZGHAEBSA-N 1 1 492.064 3.432 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(F)(F)F)CC1 ZINC001298886845 1064695758 /nfs/dbraw/zinc/69/57/58/1064695758.db2.gz HUTZGAJMCXPMTF-IBGZPJMESA-N 1 1 482.526 3.093 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001298887445 1064696431 /nfs/dbraw/zinc/69/64/31/1064696431.db2.gz JXSARNBLCSSDDE-OALUTQOASA-N 1 1 465.689 3.064 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001298887447 1064696705 /nfs/dbraw/zinc/69/67/05/1064696705.db2.gz JXSARNBLCSSDDE-RTBURBONSA-N 1 1 465.689 3.064 20 0 JGADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)CC2)cc1 ZINC001298887766 1064697372 /nfs/dbraw/zinc/69/73/72/1064697372.db2.gz NEDSQQNDJWSIPX-GBXCKJPGSA-N 1 1 455.624 3.175 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298897997 1064704383 /nfs/dbraw/zinc/70/43/83/1064704383.db2.gz QPDAXUWGFJBQJC-QGZVFWFLSA-N 1 1 453.557 3.088 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298897997 1064704392 /nfs/dbraw/zinc/70/43/92/1064704392.db2.gz QPDAXUWGFJBQJC-QGZVFWFLSA-N 1 1 453.557 3.088 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298897997 1064704404 /nfs/dbraw/zinc/70/44/04/1064704404.db2.gz QPDAXUWGFJBQJC-QGZVFWFLSA-N 1 1 453.557 3.088 20 0 JGADMO C[N@H+]1CCN(CCn2c(N3CCO[C@@H](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903389 1064708346 /nfs/dbraw/zinc/70/83/46/1064708346.db2.gz OIQRNHFEZLZBHI-QFIPXVFZSA-N 1 1 454.663 3.050 20 0 JGADMO CN1CC[N@H+](CCn2c(N3CCO[C@@H](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903389 1064708360 /nfs/dbraw/zinc/70/83/60/1064708360.db2.gz OIQRNHFEZLZBHI-QFIPXVFZSA-N 1 1 454.663 3.050 20 0 JGADMO CN1CC[N@@H+](CCn2c(N3CCO[C@@H](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903389 1064708369 /nfs/dbraw/zinc/70/83/69/1064708369.db2.gz OIQRNHFEZLZBHI-QFIPXVFZSA-N 1 1 454.663 3.050 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001298917079 1064718361 /nfs/dbraw/zinc/71/83/61/1064718361.db2.gz TURVACCVPBRNBA-MAUKXSAKSA-N 1 1 475.435 3.153 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001298917968 1064719901 /nfs/dbraw/zinc/71/99/01/1064719901.db2.gz YVRLUCKOYKNJFD-UHFFFAOYSA-N 1 1 499.063 3.043 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001298942582 1064734313 /nfs/dbraw/zinc/73/43/13/1064734313.db2.gz SCVDJBVRIYTFRJ-NRFANRHFSA-N 1 1 475.641 3.137 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001298952745 1064743967 /nfs/dbraw/zinc/74/39/67/1064743967.db2.gz GDEAAIYHHMVDPT-HSALFYBXSA-N 1 1 474.625 3.496 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCC[C@@H]1C ZINC001298954451 1064746128 /nfs/dbraw/zinc/74/61/28/1064746128.db2.gz BTMMFONGRYWFNR-CABCVRRESA-N 1 1 481.414 3.149 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001298972528 1064763056 /nfs/dbraw/zinc/76/30/56/1064763056.db2.gz OYESGGOGBCNECB-LEWJYISDSA-N 1 1 492.672 3.460 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001299002154 1064781032 /nfs/dbraw/zinc/78/10/32/1064781032.db2.gz MUELPLMJOCWCQD-FGZHOGPDSA-N 1 1 470.662 3.413 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001299012383 1064795393 /nfs/dbraw/zinc/79/53/93/1064795393.db2.gz FKXPXADNMMVRPY-BCHFMIIMSA-N 1 1 484.645 3.188 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299012015 1064795449 /nfs/dbraw/zinc/79/54/49/1064795449.db2.gz DSFDYAQYAUSSDT-XDHUDOTRSA-N 1 1 475.037 3.301 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299028086 1064811756 /nfs/dbraw/zinc/81/17/56/1064811756.db2.gz LGHBBTBXZOJVQA-LZCXECNNSA-N 1 1 452.647 3.146 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3cnccn3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001299041422 1064832197 /nfs/dbraw/zinc/83/21/97/1064832197.db2.gz UIFMPXAYKJDSRT-UHFFFAOYSA-N 1 1 476.629 3.386 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001299042608 1064835167 /nfs/dbraw/zinc/83/51/67/1064835167.db2.gz UEYGZOOVRQYZJS-NRFANRHFSA-N 1 1 454.619 3.043 20 0 JGADMO CNC(=O)c1cccc(CCn2c(CC(C)(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299051238 1064841450 /nfs/dbraw/zinc/84/14/50/1064841450.db2.gz KIGSTGBHGKPZRZ-BGYRXZFFSA-N 1 1 470.662 3.014 20 0 JGADMO CNC(=O)c1cccc(CCn2c(CC(C)(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299051238 1064841461 /nfs/dbraw/zinc/84/14/61/1064841461.db2.gz KIGSTGBHGKPZRZ-BGYRXZFFSA-N 1 1 470.662 3.014 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299063628 1064859369 /nfs/dbraw/zinc/85/93/69/1064859369.db2.gz ALQVPAHKAWOFJD-MOPGFXCFSA-N 1 1 472.609 3.394 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001299066831 1064862685 /nfs/dbraw/zinc/86/26/85/1064862685.db2.gz LZPYWFPJLDQBIY-FPOVZHCZSA-N 1 1 493.612 3.006 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299073360 1064875210 /nfs/dbraw/zinc/87/52/10/1064875210.db2.gz VBKZFPRTLSQKDC-WSTZPKSXSA-N 1 1 489.064 3.449 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299075192 1064879547 /nfs/dbraw/zinc/87/95/47/1064879547.db2.gz SOJOHLUHHQKLNO-GHTZIAJQSA-N 1 1 482.032 3.476 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001299085416 1064891020 /nfs/dbraw/zinc/89/10/20/1064891020.db2.gz IDEFHITZMOQCOS-QHCPKHFHSA-N 1 1 452.647 3.495 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001299098951 1064904091 /nfs/dbraw/zinc/90/40/91/1064904091.db2.gz VYGLYOOUEGGYIX-UNMCSNQZSA-N 1 1 468.646 3.248 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001299108294 1064915463 /nfs/dbraw/zinc/91/54/63/1064915463.db2.gz DAIQCQDVBZTDNM-FQEVSTJZSA-N 1 1 468.646 3.284 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001299117700 1064924602 /nfs/dbraw/zinc/92/46/02/1064924602.db2.gz BYESDOKXVQCQPD-OAQYLSRUSA-N 1 1 474.600 3.230 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001299119127 1064927576 /nfs/dbraw/zinc/92/75/76/1064927576.db2.gz WADTZKPOYJFLRA-OAQYLSRUSA-N 1 1 475.641 3.137 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001299127717 1064934623 /nfs/dbraw/zinc/93/46/23/1064934623.db2.gz HUVRGGPWXFQSAW-AKIFATBCSA-N 1 1 498.672 3.107 20 0 JGADMO CNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCn2cc[nH+]c2C)CC1 ZINC001299128915 1064936460 /nfs/dbraw/zinc/93/64/60/1064936460.db2.gz QAKNAOPKCOBDDF-NHCUHLMSSA-N 1 1 471.650 3.144 20 0 JGADMO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001299130921 1064938891 /nfs/dbraw/zinc/93/88/91/1064938891.db2.gz MMRVIQCOOZRBJZ-ROUUACIJSA-N 1 1 459.587 3.427 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001299752625 1064952835 /nfs/dbraw/zinc/95/28/35/1064952835.db2.gz WCEGVIFHGLDPFE-CVDCTZTESA-N 1 1 463.026 3.236 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001299763550 1064960435 /nfs/dbraw/zinc/96/04/35/1064960435.db2.gz MJIFAILVAJOJNW-MZLICYQSSA-N 1 1 481.707 3.086 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001299767492 1064964431 /nfs/dbraw/zinc/96/44/31/1064964431.db2.gz NHECOFUJSZWPEW-WIOPSUGQSA-N 1 1 456.635 3.016 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299768581 1064965788 /nfs/dbraw/zinc/96/57/88/1064965788.db2.gz PZMDFANLFZXVIW-BVAGGSTKSA-N 1 1 471.646 3.262 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001299773339 1064973030 /nfs/dbraw/zinc/97/30/30/1064973030.db2.gz AJPRYCZOLUNTAB-AZSVPQILSA-N 1 1 490.737 3.476 20 0 JGADMO COC1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001299773411 1064973211 /nfs/dbraw/zinc/97/32/11/1064973211.db2.gz CHWRFHJMQJZXSO-UHFFFAOYSA-N 1 1 463.586 3.039 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001299778159 1064977458 /nfs/dbraw/zinc/97/74/58/1064977458.db2.gz BIKLEOBRHQAHKL-LJQANCHMSA-N 1 1 492.462 3.478 20 0 JGADMO COC1(C)CN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299785335 1064982451 /nfs/dbraw/zinc/98/24/51/1064982451.db2.gz GNPTYPUABVUBGV-BGYRXZFFSA-N 1 1 457.619 3.278 20 0 JGADMO COC1(C)CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001299786039 1064982906 /nfs/dbraw/zinc/98/29/06/1064982906.db2.gz MCICXQXNJBYLNX-UHFFFAOYSA-N 1 1 451.619 3.253 20 0 JGADMO COC1(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC001299786881 1064984114 /nfs/dbraw/zinc/98/41/14/1064984114.db2.gz SHJFOPXEBPNIPC-LEWJYISDSA-N 1 1 460.667 3.466 20 0 JGADMO CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)NC3CC([NH+]4CCOCC4)C3)ccc21 ZINC001299808399 1065003686 /nfs/dbraw/zinc/00/36/86/1065003686.db2.gz UUQWQLNDAHCRMX-UHFFFAOYSA-N 1 1 456.587 3.149 20 0 JGADMO COC1(Cn2c(N3C[C@H]([N@H+]4CCCN(C(C)=O)CC4)[C@@H](C)C3)nnc2C(C)(C)C)CCCCC1 ZINC001299820003 1065013645 /nfs/dbraw/zinc/01/36/45/1065013645.db2.gz BLGBWMULJVPKRA-UNMCSNQZSA-N 1 1 474.694 3.304 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)cc1OC ZINC001299824455 1065017713 /nfs/dbraw/zinc/01/77/13/1065017713.db2.gz HNJAVFBOKFJWAQ-HXUWFJFHSA-N 1 1 484.645 3.313 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@H]2C)cc1OC ZINC001299824329 1065017799 /nfs/dbraw/zinc/01/77/99/1065017799.db2.gz GORONJHFEZEQRC-GOSISDBHSA-N 1 1 451.575 3.181 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(CC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001299828707 1065021380 /nfs/dbraw/zinc/02/13/80/1065021380.db2.gz ZPLOHHGUJQKKJE-UHFFFAOYSA-N 1 1 472.678 3.465 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(CC(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001299828707 1065021389 /nfs/dbraw/zinc/02/13/89/1065021389.db2.gz ZPLOHHGUJQKKJE-UHFFFAOYSA-N 1 1 472.678 3.465 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(CC(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001299828707 1065021401 /nfs/dbraw/zinc/02/14/01/1065021401.db2.gz ZPLOHHGUJQKKJE-UHFFFAOYSA-N 1 1 472.678 3.465 20 0 JGADMO CCCN(C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001299833253 1065024651 /nfs/dbraw/zinc/02/46/51/1065024651.db2.gz NZLBAKOZGNQODC-GBESFXJTSA-N 1 1 457.644 3.278 20 0 JGADMO COc1cc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@H](C)[N@@H+](C)C2CC2)cc(OC)c1OC ZINC001299836980 1065029880 /nfs/dbraw/zinc/02/98/80/1065029880.db2.gz OZGAPKIXXQIAMH-MAUKXSAKSA-N 1 1 461.632 3.395 20 0 JGADMO COc1cc(-c2nnc(N(C)Cc3nccs3)n2CC[N@@H+]2CC=CCC2)cc(OC)c1OC ZINC001299840381 1065033492 /nfs/dbraw/zinc/03/34/92/1065033492.db2.gz NCFBGOJFCLDYFI-UHFFFAOYSA-N 1 1 470.599 3.326 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299841531 1065038418 /nfs/dbraw/zinc/03/84/18/1065038418.db2.gz WXPINIPEQFHPQN-IFMALSPDSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCO2)ccc1OC(C)C ZINC001299841545 1065038487 /nfs/dbraw/zinc/03/84/87/1065038487.db2.gz XGYOLMNRGMLKGC-VWPQPMDRSA-N 1 1 487.645 3.465 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCO2)ccc1OC(C)C ZINC001299841545 1065038494 /nfs/dbraw/zinc/03/84/94/1065038494.db2.gz XGYOLMNRGMLKGC-VWPQPMDRSA-N 1 1 487.645 3.465 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC001299842607 1065039177 /nfs/dbraw/zinc/03/91/77/1065039177.db2.gz APHLIRQWBARITP-HDICACEKSA-N 1 1 491.658 3.023 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)cc(OC)c1OC ZINC001299842640 1065039544 /nfs/dbraw/zinc/03/95/44/1065039544.db2.gz BGRDQHAAPPTEHB-KURKYZTESA-N 1 1 459.591 3.069 20 0 JGADMO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1)C(C)C ZINC001299846168 1065046701 /nfs/dbraw/zinc/04/67/01/1065046701.db2.gz NUBZRAWRDGYFFL-UHFFFAOYSA-N 1 1 451.615 3.334 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc(OC)c1OC ZINC001299847833 1065049673 /nfs/dbraw/zinc/04/96/73/1065049673.db2.gz FOJFIBWMDYQFBE-PNLZDCPESA-N 1 1 473.618 3.315 20 0 JGADMO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nnn1-c1cccc(Br)c1 ZINC001299849565 1065052181 /nfs/dbraw/zinc/05/21/81/1065052181.db2.gz XBBJMFZIVHRSBQ-XLIONFOSSA-N 1 1 454.372 3.413 20 0 JGADMO C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)[C@H](c2ccccc2)C1 ZINC001299849665 1065052515 /nfs/dbraw/zinc/05/25/15/1065052515.db2.gz MXXPOYPCPQZDPI-NJYVYQBISA-N 1 1 455.986 3.029 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299851994 1065057962 /nfs/dbraw/zinc/05/79/62/1065057962.db2.gz AANGTMLEIWPVEW-FTJBHMTQSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(-c2nnc(N3CCC=C(C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299852074 1065058164 /nfs/dbraw/zinc/05/81/64/1065058164.db2.gz BWPCEVCSGJZZIY-UHFFFAOYSA-N 1 1 471.602 3.238 20 0 JGADMO COc1cc(-c2nnc(N3CCC=C(C)C3)n2CC[N@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299852074 1065058176 /nfs/dbraw/zinc/05/81/76/1065058176.db2.gz BWPCEVCSGJZZIY-UHFFFAOYSA-N 1 1 471.602 3.238 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@]4(CCOC4)C3)n2CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299853521 1065060172 /nfs/dbraw/zinc/06/01/72/1065060172.db2.gz SGMDLRNUJYNVCD-RUZDIDTESA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299853530 1065060255 /nfs/dbraw/zinc/06/02/55/1065060255.db2.gz SMKOQOXRFCOVQX-SFHVURJKSA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@]4(CCOC4)C3)n2CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299853522 1065060369 /nfs/dbraw/zinc/06/03/69/1065060369.db2.gz SGMDLRNUJYNVCD-VWLOTQADSA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299857725 1065068169 /nfs/dbraw/zinc/06/81/69/1065068169.db2.gz WRMUTMBZCDJZKS-AVRDEDQJSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC001299859678 1065073396 /nfs/dbraw/zinc/07/33/96/1065073396.db2.gz HMCPPONONPXABR-RBUKOAKNSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCOC(C)(C)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC001299860036 1065074676 /nfs/dbraw/zinc/07/46/76/1065074676.db2.gz MWOIOGTVOUNUFT-SFHVURJKSA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)C)CC2)ccc1Cl ZINC001299866324 1065084022 /nfs/dbraw/zinc/08/40/22/1065084022.db2.gz QXRFFLDPYWWTEG-LJQANCHMSA-N 1 1 496.077 3.005 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[NH+]2CCOCC2)ccc1OC(F)F ZINC001299870564 1065088339 /nfs/dbraw/zinc/08/83/39/1065088339.db2.gz BASJDYXBIVDTQG-MRXNPFEDSA-N 1 1 476.528 3.240 20 0 JGADMO COc1cc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CC[N@@H+](C)C2)ccc1SC ZINC001299876700 1065095744 /nfs/dbraw/zinc/09/57/44/1065095744.db2.gz LIDHCLSOHQPMMP-QHCPKHFHSA-N 1 1 488.683 3.067 20 0 JGADMO COc1cc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@]2(O)CC[N@@H+](C)C2)ccc1SC ZINC001299876744 1065096326 /nfs/dbraw/zinc/09/63/26/1065096326.db2.gz MBILOUVYDACEMZ-HSZRJFAPSA-N 1 1 473.668 3.364 20 0 JGADMO COc1cc(Cn2c(C(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc(OC)c1OC ZINC001299878750 1065098476 /nfs/dbraw/zinc/09/84/76/1065098476.db2.gz QAVJPLFUIHHODX-GOSISDBHSA-N 1 1 473.618 3.165 20 0 JGADMO COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C ZINC001299881154 1065102863 /nfs/dbraw/zinc/10/28/63/1065102863.db2.gz OLMPQCKEHXLUDU-OYRHEFFESA-N 1 1 498.672 3.107 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CC=CCO3)CC2)cc(OC)c1 ZINC001299891614 1065119919 /nfs/dbraw/zinc/11/99/19/1065119919.db2.gz ALOLWSATEBDEIM-HXUWFJFHSA-N 1 1 455.603 3.260 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCCOC(F)(F)F)CC2)cc(OC)c1 ZINC001299893312 1065122548 /nfs/dbraw/zinc/12/25/48/1065122548.db2.gz SEWUXTSYPVFILA-GOSISDBHSA-N 1 1 499.534 3.048 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CCCOC(F)(F)F)CC2)cc(OC)c1 ZINC001299893315 1065122620 /nfs/dbraw/zinc/12/26/20/1065122620.db2.gz SEWUXTSYPVFILA-SFHVURJKSA-N 1 1 499.534 3.048 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+](C)C(C)C ZINC001299894314 1065124575 /nfs/dbraw/zinc/12/45/75/1065124575.db2.gz AWNYTVIROQKFPK-UHFFFAOYSA-N 1 1 451.015 3.298 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001299896121 1065129081 /nfs/dbraw/zinc/12/90/81/1065129081.db2.gz RBIHHYDHSQARSZ-QUCCMNQESA-N 1 1 478.037 3.437 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H]2CCCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001299899050 1065134651 /nfs/dbraw/zinc/13/46/51/1065134651.db2.gz XDRXRMGYSWZWRU-GOSISDBHSA-N 1 1 464.010 3.333 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H]2CCCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001299899050 1065134656 /nfs/dbraw/zinc/13/46/56/1065134656.db2.gz XDRXRMGYSWZWRU-GOSISDBHSA-N 1 1 464.010 3.333 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCSCCCO ZINC001299900695 1065135964 /nfs/dbraw/zinc/13/59/64/1065135964.db2.gz FXDXQLRJMGRUSC-HSZRJFAPSA-N 1 1 496.077 3.024 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](C(N)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001299901153 1065137172 /nfs/dbraw/zinc/13/71/72/1065137172.db2.gz IKUOKRHYXAVKGA-INIZCTEOSA-N 1 1 461.010 3.183 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC(NC(C)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001299902723 1065139820 /nfs/dbraw/zinc/13/98/20/1065139820.db2.gz DDIOYTMBXBFBRF-INIZCTEOSA-N 1 1 461.010 3.196 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(F)(F)F ZINC001299903185 1065141166 /nfs/dbraw/zinc/14/11/66/1065141166.db2.gz TZYMNMUQAXTEST-CQSZACIVSA-N 1 1 459.900 3.328 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](OC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001299907447 1065149216 /nfs/dbraw/zinc/14/92/16/1065149216.db2.gz UAIJQJFZCVNYIA-SFHVURJKSA-N 1 1 464.010 3.333 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](OC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001299907447 1065149225 /nfs/dbraw/zinc/14/92/25/1065149225.db2.gz UAIJQJFZCVNYIA-SFHVURJKSA-N 1 1 464.010 3.333 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCCN(C(C)=O)CC2)n1CCCn1cc[nH+]c1C ZINC001299908124 1065151933 /nfs/dbraw/zinc/15/19/33/1065151933.db2.gz RFFCUISCOGVGPQ-UHFFFAOYSA-N 1 1 471.993 3.261 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001299913699 1065165280 /nfs/dbraw/zinc/16/52/80/1065165280.db2.gz VMQVSFFPBAIIPE-SIKLNZKXSA-N 1 1 466.051 3.252 20 0 JGADMO COc1cc(Cl)ccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299916773 1065167890 /nfs/dbraw/zinc/16/78/90/1065167890.db2.gz XDXDUFWBOMVSCI-WSTZPKSXSA-N 1 1 478.037 3.428 20 0 JGADMO COc1cc(Cl)ccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299916773 1065167899 /nfs/dbraw/zinc/16/78/99/1065167899.db2.gz XDXDUFWBOMVSCI-WSTZPKSXSA-N 1 1 478.037 3.428 20 0 JGADMO COc1cc(Cl)ccc1Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299916772 1065167946 /nfs/dbraw/zinc/16/79/46/1065167946.db2.gz XDXDUFWBOMVSCI-NSHGMRRFSA-N 1 1 478.037 3.428 20 0 JGADMO COc1cc(Cl)ccc1Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299916772 1065167955 /nfs/dbraw/zinc/16/79/55/1065167955.db2.gz XDXDUFWBOMVSCI-NSHGMRRFSA-N 1 1 478.037 3.428 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3ccccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001299929533 1065192448 /nfs/dbraw/zinc/19/24/48/1065192448.db2.gz DLXJYIRNMLVOTA-UHFFFAOYSA-N 1 1 479.629 3.020 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3ccccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299929533 1065192451 /nfs/dbraw/zinc/19/24/51/1065192451.db2.gz DLXJYIRNMLVOTA-UHFFFAOYSA-N 1 1 479.629 3.020 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3ccccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299929533 1065192457 /nfs/dbraw/zinc/19/24/57/1065192457.db2.gz DLXJYIRNMLVOTA-UHFFFAOYSA-N 1 1 479.629 3.020 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001299932672 1065197632 /nfs/dbraw/zinc/19/76/32/1065197632.db2.gz SYTOPSFCPGQXEG-CWAZBZNHSA-N 1 1 487.645 3.059 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001299932672 1065197636 /nfs/dbraw/zinc/19/76/36/1065197636.db2.gz SYTOPSFCPGQXEG-CWAZBZNHSA-N 1 1 487.645 3.059 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCc3nccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001299932739 1065198419 /nfs/dbraw/zinc/19/84/19/1065198419.db2.gz UTWBDNSZFZQCKY-UHFFFAOYSA-N 1 1 499.685 3.124 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCc3nccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299932739 1065198425 /nfs/dbraw/zinc/19/84/25/1065198425.db2.gz UTWBDNSZFZQCKY-UHFFFAOYSA-N 1 1 499.685 3.124 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCc3nccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299932739 1065198430 /nfs/dbraw/zinc/19/84/30/1065198430.db2.gz UTWBDNSZFZQCKY-UHFFFAOYSA-N 1 1 499.685 3.124 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001299936539 1065203603 /nfs/dbraw/zinc/20/36/03/1065203603.db2.gz AYGNWQUXAXSAPE-IBGZPJMESA-N 1 1 484.645 3.141 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(CO)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299937698 1065205384 /nfs/dbraw/zinc/20/53/84/1065205384.db2.gz JZGROWPVDHRCTQ-KDURUIRLSA-N 1 1 487.645 3.059 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299939253 1065208707 /nfs/dbraw/zinc/20/87/07/1065208707.db2.gz PTPFFLPODOMPPA-WXTAPIANSA-N 1 1 484.645 3.175 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCn2cc[nH+]c2C)c1 ZINC001299943189 1065213815 /nfs/dbraw/zinc/21/38/15/1065213815.db2.gz WYVZGMMLOKJIKX-FQEVSTJZSA-N 1 1 454.575 3.419 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001299946286 1065220816 /nfs/dbraw/zinc/22/08/16/1065220816.db2.gz ZHACZFACYHFZRX-UQBPGWFLSA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001299946286 1065220826 /nfs/dbraw/zinc/22/08/26/1065220826.db2.gz ZHACZFACYHFZRX-UQBPGWFLSA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@H](C)OC)c1 ZINC001299952402 1065231682 /nfs/dbraw/zinc/23/16/82/1065231682.db2.gz OFRKNBMIIXYFBZ-KRWDZBQOSA-N 1 1 457.600 3.381 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001299957106 1065235577 /nfs/dbraw/zinc/23/55/77/1065235577.db2.gz HWXJZPVDXSLOPO-LAUBAEHRSA-N 1 1 491.658 3.086 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001299957106 1065235588 /nfs/dbraw/zinc/23/55/88/1065235588.db2.gz HWXJZPVDXSLOPO-LAUBAEHRSA-N 1 1 491.658 3.086 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001299958961 1065238067 /nfs/dbraw/zinc/23/80/67/1065238067.db2.gz WXLRRARMVFTRQA-NRFANRHFSA-N 1 1 472.634 3.303 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(C(=O)N3CCCC3)n2CCCCn2cc[nH+]c2C)c1 ZINC001299959188 1065238739 /nfs/dbraw/zinc/23/87/39/1065238739.db2.gz ZUPXTMXLFGPDOK-UHFFFAOYSA-N 1 1 467.574 3.285 20 0 JGADMO COc1cc(OC)cc(N2CCCN(c3nnc(-c4ccc[nH]4)n3CC[N@@H+](C)C(C)C)CC2)c1 ZINC001299959442 1065240059 /nfs/dbraw/zinc/24/00/59/1065240059.db2.gz PJWJIVVYUJCDMX-UHFFFAOYSA-N 1 1 467.618 3.347 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299959555 1065240388 /nfs/dbraw/zinc/24/03/88/1065240388.db2.gz TULLJCQHSCJILE-MOPGFXCFSA-N 1 1 470.618 3.306 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC(C)(OC)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001299969572 1065256304 /nfs/dbraw/zinc/25/63/04/1065256304.db2.gz UKRVXJFSDCWSBK-UHFFFAOYSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299972954 1065260833 /nfs/dbraw/zinc/26/08/33/1065260833.db2.gz DRTMONNBFRNZNT-INIZCTEOSA-N 1 1 465.440 3.197 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(C)(C)O)c1 ZINC001299975778 1065270987 /nfs/dbraw/zinc/27/09/87/1065270987.db2.gz SQLNCUVSLUTXMC-UHFFFAOYSA-N 1 1 466.424 3.408 20 0 JGADMO COc1ccc([C@@H](C)N(C)c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001299983375 1065284464 /nfs/dbraw/zinc/28/44/64/1065284464.db2.gz GOVWIMGDYMMHHF-GOSISDBHSA-N 1 1 498.031 3.364 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001299987003 1065289351 /nfs/dbraw/zinc/28/93/51/1065289351.db2.gz NUYNNWHPRRFMRD-DUWWHKKTSA-N 1 1 471.646 3.469 20 0 JGADMO COc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC001299987844 1065290368 /nfs/dbraw/zinc/29/03/68/1065290368.db2.gz HNMUIGIULWBZNZ-IFMALSPDSA-N 1 1 489.686 3.336 20 0 JGADMO COc1ccc(C)cc1CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001299990746 1065294688 /nfs/dbraw/zinc/29/46/88/1065294688.db2.gz MSKCTGYRDIBGDT-DEOSSOPVSA-N 1 1 498.716 3.353 20 0 JGADMO COc1ccc(C)cc1CN1CCN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299991400 1065296483 /nfs/dbraw/zinc/29/64/83/1065296483.db2.gz VORPWEMEFJGSRE-QFIPXVFZSA-N 1 1 470.662 3.152 20 0 JGADMO COc1ccc(C)cc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001299991493 1065296537 /nfs/dbraw/zinc/29/65/37/1065296537.db2.gz XARXKCPYAPMLFI-HSZRJFAPSA-N 1 1 484.689 3.062 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)C(C)C)CC1 ZINC001299991570 1065297295 /nfs/dbraw/zinc/29/72/95/1065297295.db2.gz ZFGIZEJKBZGERS-UHFFFAOYSA-N 1 1 491.640 3.060 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC001299992568 1065299216 /nfs/dbraw/zinc/29/92/16/1065299216.db2.gz PCSGCNIZEFIWOP-NQIIRXRSSA-N 1 1 484.645 3.460 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1Br ZINC001299995854 1065303710 /nfs/dbraw/zinc/30/37/10/1065303710.db2.gz BSHUJSCGBSFQRQ-DOTOQJQBSA-N 1 1 496.475 3.379 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1Br ZINC001299995854 1065303721 /nfs/dbraw/zinc/30/37/21/1065303721.db2.gz BSHUJSCGBSFQRQ-DOTOQJQBSA-N 1 1 496.475 3.379 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC001299996681 1065305678 /nfs/dbraw/zinc/30/56/78/1065305678.db2.gz MCJAGJFFZRIGRB-NRFANRHFSA-N 1 1 486.661 3.434 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001299997398 1065307591 /nfs/dbraw/zinc/30/75/91/1065307591.db2.gz VTKWJVZESGXFDU-WBVHZDCISA-N 1 1 464.408 3.426 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001492207930 1065321974 /nfs/dbraw/zinc/32/19/74/1065321974.db2.gz DBMFFZQBDIDIRC-FHWLQOOXSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492211435 1065324241 /nfs/dbraw/zinc/32/42/41/1065324241.db2.gz NQYUDSJYWRCGCV-OFNKIYASSA-N 1 1 486.636 3.199 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001492216216 1065326923 /nfs/dbraw/zinc/32/69/23/1065326923.db2.gz CDDVINXCBDLHHS-JOCHJYFZSA-N 1 1 452.578 3.195 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(C(C)C)n3CC3CCN(CC[NH+](C)C)CC3)CC2)cc1 ZINC001492227406 1065330053 /nfs/dbraw/zinc/33/00/53/1065330053.db2.gz KWULVEYZLCZPDE-UHFFFAOYSA-N 1 1 453.679 3.310 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC[N@H+]3CCCO)CC2)cc1C ZINC001492233211 1065334181 /nfs/dbraw/zinc/33/41/81/1065334181.db2.gz YMYUDOAEZDYFPQ-XMMPIXPASA-N 1 1 454.663 3.267 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)CC2=O)cc1 ZINC001492233103 1065334241 /nfs/dbraw/zinc/33/42/41/1065334241.db2.gz VTAGKHUDHBZJLW-QHCPKHFHSA-N 1 1 482.673 3.265 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001492234959 1065334835 /nfs/dbraw/zinc/33/48/35/1065334835.db2.gz IAZKGFBGYJYMRR-UHFFFAOYSA-N 1 1 461.574 3.031 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001492234418 1065334854 /nfs/dbraw/zinc/33/48/54/1065334854.db2.gz DDVZYNWFBKXRPJ-UXHICEINSA-N 1 1 452.559 3.268 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492587861 1065335548 /nfs/dbraw/zinc/33/55/48/1065335548.db2.gz DGZNGVWTDCPENI-DNQXCXABSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@]4(CCOC4)OC(C)(C)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492243092 1065341436 /nfs/dbraw/zinc/34/14/36/1065341436.db2.gz ALHDFAUWOCDSHR-SANMLTNESA-N 1 1 484.645 3.262 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492243207 1065341499 /nfs/dbraw/zinc/34/14/99/1065341499.db2.gz AYEDVSGSIMIIOF-NRFANRHFSA-N 1 1 497.688 3.177 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492253343 1065353334 /nfs/dbraw/zinc/35/33/34/1065353334.db2.gz DVNNSGKFPZEUGD-RTBURBONSA-N 1 1 454.619 3.352 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001492254728 1065354409 /nfs/dbraw/zinc/35/44/09/1065354409.db2.gz NHARRQWOBBMQKL-BVYCBKJFSA-N 1 1 495.672 3.359 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001492265951 1065359584 /nfs/dbraw/zinc/35/95/84/1065359584.db2.gz LDUWUUILZFBCJL-RXVVDRJESA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001492266259 1065361518 /nfs/dbraw/zinc/36/15/18/1065361518.db2.gz QJJJDFWLTLMYCG-UHFFFAOYSA-N 1 1 483.661 3.230 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492273706 1065366781 /nfs/dbraw/zinc/36/67/81/1065366781.db2.gz KSERBCCEWZTOPB-GOSISDBHSA-N 1 1 468.524 3.255 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492274996 1065369013 /nfs/dbraw/zinc/36/90/13/1065369013.db2.gz GYHHAWFATFAJJM-GOSISDBHSA-N 1 1 486.686 3.447 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492275773 1065369594 /nfs/dbraw/zinc/36/95/94/1065369594.db2.gz KXQYPGLWELZSIB-FUPPJEDESA-N 1 1 484.645 3.118 20 0 JGADMO Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)nc1 ZINC001492283890 1065377115 /nfs/dbraw/zinc/37/71/15/1065377115.db2.gz NHMSGULMSWRZHB-QHCPKHFHSA-N 1 1 497.688 3.392 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001492288922 1065383054 /nfs/dbraw/zinc/38/30/54/1065383054.db2.gz QHWRDOXKSVTZQF-JOCHJYFZSA-N 1 1 491.640 3.148 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001492238531 1065383935 /nfs/dbraw/zinc/38/39/35/1065383935.db2.gz SFGFMZHQFWWZPD-OAQYLSRUSA-N 1 1 492.628 3.075 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001492302172 1065385231 /nfs/dbraw/zinc/38/52/31/1065385231.db2.gz AODQCDBHZGUDHI-SFHVURJKSA-N 1 1 479.572 3.287 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001492302172 1065385240 /nfs/dbraw/zinc/38/52/40/1065385240.db2.gz AODQCDBHZGUDHI-SFHVURJKSA-N 1 1 479.572 3.287 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001492303146 1065386717 /nfs/dbraw/zinc/38/67/17/1065386717.db2.gz QAZMOLQSVJUZRF-UHFFFAOYSA-N 1 1 476.572 3.279 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001492310042 1065389352 /nfs/dbraw/zinc/38/93/52/1065389352.db2.gz BYOPMTPJHAWLHY-SFTDATJTSA-N 1 1 477.675 3.155 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)cnn1C ZINC001492321389 1065395845 /nfs/dbraw/zinc/39/58/45/1065395845.db2.gz ZRBHXUWILXNBPQ-OAQYLSRUSA-N 1 1 481.645 3.345 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001492323723 1065396825 /nfs/dbraw/zinc/39/68/25/1065396825.db2.gz WKPHMOPAVZDKAF-DEOSSOPVSA-N 1 1 481.645 3.201 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001492329370 1065399933 /nfs/dbraw/zinc/39/99/33/1065399933.db2.gz KAIDVKHJYZCAAG-DEOSSOPVSA-N 1 1 484.689 3.363 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001492330578 1065400921 /nfs/dbraw/zinc/40/09/21/1065400921.db2.gz OAPBQOSVHZGMHY-UHFFFAOYSA-N 1 1 457.619 3.139 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@]2(O)CCC[C@H]2C)cc1 ZINC001492331055 1065401656 /nfs/dbraw/zinc/40/16/56/1065401656.db2.gz VTEPSBQUJWCYTL-QFQXNSOFSA-N 1 1 471.646 3.264 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@]2(O)CCC[C@H]2C)cc1 ZINC001492331055 1065401666 /nfs/dbraw/zinc/40/16/66/1065401666.db2.gz VTEPSBQUJWCYTL-QFQXNSOFSA-N 1 1 471.646 3.264 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492353742 1065416302 /nfs/dbraw/zinc/41/63/02/1065416302.db2.gz KOZNSQYKIYENAM-NHCUHLMSSA-N 1 1 468.646 3.378 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCOC(C)(C)C)cc1C ZINC001492353858 1065417346 /nfs/dbraw/zinc/41/73/46/1065417346.db2.gz NXALFYNAMHPSAB-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492364294 1065427163 /nfs/dbraw/zinc/42/71/63/1065427163.db2.gz VXCUCBKWHLPFET-OAQYLSRUSA-N 1 1 498.672 3.147 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001492367351 1065427269 /nfs/dbraw/zinc/42/72/69/1065427269.db2.gz BSTKJGIZHMULQK-JOCHJYFZSA-N 1 1 476.419 3.029 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492371387 1065435093 /nfs/dbraw/zinc/43/50/93/1065435093.db2.gz PZZXKMHLRXRBNX-VXKWHMMOSA-N 1 1 468.646 3.378 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCN(Cc4cnn(C)c4)CC3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492376803 1065439687 /nfs/dbraw/zinc/43/96/87/1065439687.db2.gz FYXBAAAUILCZIU-UHFFFAOYSA-N 1 1 494.688 3.199 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001492383976 1065449438 /nfs/dbraw/zinc/44/94/38/1065449438.db2.gz DFFSCYHGFRFGDF-JOCHJYFZSA-N 1 1 466.630 3.121 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001492390901 1065456374 /nfs/dbraw/zinc/45/63/74/1065456374.db2.gz FRDXCAOVECVNSW-XZOQPEGZSA-N 1 1 471.646 3.385 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001492344989 1065459675 /nfs/dbraw/zinc/45/96/75/1065459675.db2.gz SVEMAAAYIGXCPA-NHCUHLMSSA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001492399483 1065468384 /nfs/dbraw/zinc/46/83/84/1065468384.db2.gz BATVWMJJQRTNTA-NRFANRHFSA-N 1 1 459.660 3.102 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492401989 1065471619 /nfs/dbraw/zinc/47/16/19/1065471619.db2.gz QHZFOXDUXCBIBJ-URXFXBBRSA-N 1 1 459.660 3.118 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492401898 1065471666 /nfs/dbraw/zinc/47/16/66/1065471666.db2.gz NRYHIUZUCBMTNP-IRLDBZIGSA-N 1 1 459.660 3.464 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492402343 1065472729 /nfs/dbraw/zinc/47/27/29/1065472729.db2.gz ROJMXJLXWNZVDS-RXVVDRJESA-N 1 1 459.660 3.384 20 0 JGADMO Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC001492408960 1065474218 /nfs/dbraw/zinc/47/42/18/1065474218.db2.gz PPPLQOSNHMISHW-NRFANRHFSA-N 1 1 454.619 3.258 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001492418815 1065479434 /nfs/dbraw/zinc/47/94/34/1065479434.db2.gz NCEWFDNMJISMOP-JOCHJYFZSA-N 1 1 468.646 3.458 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492421499 1065481934 /nfs/dbraw/zinc/48/19/34/1065481934.db2.gz QPQIDTPBSHRFCH-FCHUYYIVSA-N 1 1 489.686 3.124 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492421502 1065482980 /nfs/dbraw/zinc/48/29/80/1065482980.db2.gz QPQIDTPBSHRFCH-YADHBBJMSA-N 1 1 489.686 3.124 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001492425212 1065484536 /nfs/dbraw/zinc/48/45/36/1065484536.db2.gz VOGWKOYNXJFZCS-JTHBVZDNSA-N 1 1 457.619 3.454 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001492461703 1065510491 /nfs/dbraw/zinc/51/04/91/1065510491.db2.gz HJYFVDBHPNUYGF-MOPGFXCFSA-N 1 1 456.660 3.453 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(C)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001492462408 1065510972 /nfs/dbraw/zinc/51/09/72/1065510972.db2.gz OWOWANVKDHJZQJ-OAQYLSRUSA-N 1 1 488.683 3.487 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2ccn(C)n2)cc1 ZINC001492467505 1065514972 /nfs/dbraw/zinc/51/49/72/1065514972.db2.gz GRKBKYPUDGXUKD-UHFFFAOYSA-N 1 1 469.659 3.208 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492468097 1065515858 /nfs/dbraw/zinc/51/58/58/1065515858.db2.gz UYHNKQRNHLPTME-BGYRXZFFSA-N 1 1 486.686 3.093 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492468097 1065515863 /nfs/dbraw/zinc/51/58/63/1065515863.db2.gz UYHNKQRNHLPTME-BGYRXZFFSA-N 1 1 486.686 3.093 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492468099 1065516049 /nfs/dbraw/zinc/51/60/49/1065516049.db2.gz UYHNKQRNHLPTME-WOJBJXKFSA-N 1 1 486.686 3.093 20 0 JGADMO Cc1cccc(C(=O)NCCn2c(C3CCCC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001492478327 1065524175 /nfs/dbraw/zinc/52/41/75/1065524175.db2.gz IZQKICYCIVVLRI-UHFFFAOYSA-N 1 1 482.673 3.469 20 0 JGADMO Cc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001492478420 1065524319 /nfs/dbraw/zinc/52/43/19/1065524319.db2.gz LVKLEVZJARXFLZ-QFIPXVFZSA-N 1 1 468.646 3.221 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[NH+]2CCOCC2)CC[C@H]1C ZINC001300800389 1065532636 /nfs/dbraw/zinc/53/26/36/1065532636.db2.gz ZYDVBKLDTBEYAG-XQBPLPMBSA-N 1 1 461.582 3.141 20 0 JGADMO COc1ccc(C(=O)CCC(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC001300842379 1065580271 /nfs/dbraw/zinc/58/02/71/1065580271.db2.gz RFCMLFPLONUYFH-UHFFFAOYSA-N 1 1 451.567 3.138 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC2CCN(CC[NH+](C)C)CC2)CC[C@H]1C ZINC001300842925 1065580842 /nfs/dbraw/zinc/58/08/42/1065580842.db2.gz OIADFIXVQXJLLO-RCZVLFRGSA-N 1 1 484.689 3.300 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC[C@@H]1C ZINC001300845877 1065588589 /nfs/dbraw/zinc/58/85/89/1065588589.db2.gz YLQQXFIXNDNLNY-WPFOTENUSA-N 1 1 471.646 3.303 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@@H+](C)C(C)C)CC1 ZINC001300904188 1065702831 /nfs/dbraw/zinc/70/28/31/1065702831.db2.gz ILSPGMBKLURKJD-SFHVURJKSA-N 1 1 488.702 3.203 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001300904526 1065704237 /nfs/dbraw/zinc/70/42/37/1065704237.db2.gz TZBBIOPDXNDFEQ-UHFFFAOYSA-N 1 1 489.064 3.452 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001300910126 1065707813 /nfs/dbraw/zinc/70/78/13/1065707813.db2.gz CXJLCGIFOYPXEF-HXUWFJFHSA-N 1 1 482.673 3.045 20 0 JGADMO COCC(C)(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001300925753 1065723766 /nfs/dbraw/zinc/72/37/66/1065723766.db2.gz OGVRHDSQHBIUDQ-LEWJYISDSA-N 1 1 463.667 3.314 20 0 JGADMO COCC(C)(C)CCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300927280 1065726163 /nfs/dbraw/zinc/72/61/63/1065726163.db2.gz VEKAEPCJNWKKHE-GHTZIAJQSA-N 1 1 476.691 3.244 20 0 JGADMO COCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300930956 1065730913 /nfs/dbraw/zinc/73/09/13/1065730913.db2.gz LERNLLDCMNPCSJ-UHFFFAOYSA-N 1 1 457.623 3.155 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001300934102 1065734798 /nfs/dbraw/zinc/73/47/98/1065734798.db2.gz HLWDGXAUYCLTFZ-PXNSSMCTSA-N 1 1 478.037 3.437 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300934263 1065735197 /nfs/dbraw/zinc/73/51/97/1065735197.db2.gz MVKRRTSYEKLKLW-CALCHBBNSA-N 1 1 451.015 3.212 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300934263 1065735204 /nfs/dbraw/zinc/73/52/04/1065735204.db2.gz MVKRRTSYEKLKLW-CALCHBBNSA-N 1 1 451.015 3.212 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001300936070 1065737395 /nfs/dbraw/zinc/73/73/95/1065737395.db2.gz QVWORGTYSHZGAS-UHFFFAOYSA-N 1 1 455.651 3.008 20 0 JGADMO COCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001300941572 1065743569 /nfs/dbraw/zinc/74/35/69/1065743569.db2.gz CUZPOTXOOOMMFI-QFIPXVFZSA-N 1 1 457.619 3.393 20 0 JGADMO COC[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001300955864 1065760460 /nfs/dbraw/zinc/76/04/60/1065760460.db2.gz GRUICKZCNCMFCH-BFYDXBDKSA-N 1 1 451.413 3.002 20 0 JGADMO COC[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300958464 1065765673 /nfs/dbraw/zinc/76/56/73/1065765673.db2.gz WHLZXOYTPXLCTF-FUHIMQAGSA-N 1 1 478.435 3.147 20 0 JGADMO COC[C@H](C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001300964798 1065773634 /nfs/dbraw/zinc/77/36/34/1065773634.db2.gz CAMGEOIYHKCXOA-HXUWFJFHSA-N 1 1 450.587 3.262 20 0 JGADMO COC[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300969136 1065777868 /nfs/dbraw/zinc/77/78/68/1065777868.db2.gz RLEPZACNZFJKMD-NRSPTQNISA-N 1 1 456.635 3.257 20 0 JGADMO COC[C@H](F)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301039825 1065882559 /nfs/dbraw/zinc/88/25/59/1065882559.db2.gz KTPJQQNSPOWQKE-MRXNPFEDSA-N 1 1 469.403 3.475 20 0 JGADMO COC[C@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301043147 1065886920 /nfs/dbraw/zinc/88/69/20/1065886920.db2.gz HFZOLCMKAQIMLE-PKOBYXMFSA-N 1 1 491.608 3.266 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301047222 1065894860 /nfs/dbraw/zinc/89/48/60/1065894860.db2.gz HYSUWRJJXQNJAE-KGLIPLIRSA-N 1 1 458.401 3.428 20 0 JGADMO COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001301056631 1065907748 /nfs/dbraw/zinc/90/77/48/1065907748.db2.gz NXKMPGPQCDKZAP-JOCHJYFZSA-N 1 1 455.582 3.012 20 0 JGADMO COC[C@H](F)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301080735 1065930659 /nfs/dbraw/zinc/93/06/59/1065930659.db2.gz AQGGUBUMARJUJI-LJQANCHMSA-N 1 1 463.554 3.364 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001301090931 1065940605 /nfs/dbraw/zinc/94/06/05/1065940605.db2.gz ZISJLSNBOPIVGN-OAQYLSRUSA-N 1 1 457.619 3.053 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301093560 1065941402 /nfs/dbraw/zinc/94/14/02/1065941402.db2.gz ZUSBNSPCDTYHFS-BGYRXZFFSA-N 1 1 458.651 3.424 20 0 JGADMO COCC1(C)CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001301098580 1065945620 /nfs/dbraw/zinc/94/56/20/1065945620.db2.gz HXZYRNIXKLVJLQ-NRFANRHFSA-N 1 1 488.702 3.126 20 0 JGADMO COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC001301124948 1065966634 /nfs/dbraw/zinc/96/66/34/1065966634.db2.gz KTQUGQDJPSMCOF-LEWJYISDSA-N 1 1 460.667 3.324 20 0 JGADMO COCc1cc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)ccc1F ZINC001301152073 1065988393 /nfs/dbraw/zinc/98/83/93/1065988393.db2.gz GCRSLXJJUDCZQH-GCJKJVERSA-N 1 1 459.610 3.357 20 0 JGADMO COCc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001301179225 1066010372 /nfs/dbraw/zinc/01/03/72/1066010372.db2.gz TUEJIAQYYNAIIY-RUZDIDTESA-N 1 1 498.716 3.293 20 0 JGADMO COCC1=CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301184137 1066013190 /nfs/dbraw/zinc/01/31/90/1066013190.db2.gz DOITXXGVOPBCEE-RCZVLFRGSA-N 1 1 461.651 3.222 20 0 JGADMO CCn1c(SCC(=O)NC(C)(C)CC[NH+]2CCOCC2)nnc1-c1ccc(Cl)cc1 ZINC001301210726 1066034677 /nfs/dbraw/zinc/03/46/77/1066034677.db2.gz DXJSZDHKMYFVDJ-UHFFFAOYSA-N 1 1 452.024 3.328 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301226956 1066046344 /nfs/dbraw/zinc/04/63/44/1066046344.db2.gz DXPBEKVBKPUDOR-GMAHTHKFSA-N 1 1 468.646 3.288 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001301227229 1066046466 /nfs/dbraw/zinc/04/64/66/1066046466.db2.gz GMPHOERWQKCCHB-YADHBBJMSA-N 1 1 460.667 3.422 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001301227226 1066046534 /nfs/dbraw/zinc/04/65/34/1066046534.db2.gz GMPHOERWQKCCHB-FCHUYYIVSA-N 1 1 460.667 3.422 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(CCc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301249950 1066067308 /nfs/dbraw/zinc/06/73/08/1066067308.db2.gz PPOIJRZAHNIRAA-XMMPIXPASA-N 1 1 468.690 3.342 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301249950 1066067318 /nfs/dbraw/zinc/06/73/18/1066067318.db2.gz PPOIJRZAHNIRAA-XMMPIXPASA-N 1 1 468.690 3.342 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301249950 1066067330 /nfs/dbraw/zinc/06/73/30/1066067330.db2.gz PPOIJRZAHNIRAA-XMMPIXPASA-N 1 1 468.690 3.342 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001301253204 1066069656 /nfs/dbraw/zinc/06/96/56/1066069656.db2.gz ZFWSEETYSFAJSS-ZBLYBZFDSA-N 1 1 485.673 3.474 20 0 JGADMO COC[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)C1 ZINC001301255109 1066070368 /nfs/dbraw/zinc/07/03/68/1066070368.db2.gz AFDQDJIJBLOYII-IBGZPJMESA-N 1 1 463.026 3.065 20 0 JGADMO COC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001301260573 1066074865 /nfs/dbraw/zinc/07/48/65/1066074865.db2.gz BNDZZIOGGDPUAM-PWRODBHTSA-N 1 1 475.609 3.388 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301263569 1066078960 /nfs/dbraw/zinc/07/89/60/1066078960.db2.gz MGTJPQITQFFEBU-RTBURBONSA-N 1 1 463.026 3.357 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001301264716 1066080200 /nfs/dbraw/zinc/08/02/00/1066080200.db2.gz GVKJAWFNAMTJJN-SJORKVTESA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001301264716 1066080209 /nfs/dbraw/zinc/08/02/09/1066080209.db2.gz GVKJAWFNAMTJJN-SJORKVTESA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001301265055 1066080578 /nfs/dbraw/zinc/08/05/78/1066080578.db2.gz VEDWUXREWVDUEF-RTBURBONSA-N 1 1 492.462 3.417 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301265312 1066081007 /nfs/dbraw/zinc/08/10/07/1066081007.db2.gz KVXDPEIOPCLLJC-QHAWAJNXSA-N 1 1 457.619 3.316 20 0 JGADMO COC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001301275081 1066086226 /nfs/dbraw/zinc/08/62/26/1066086226.db2.gz BDVKUECWXHVTFO-UPVQGACJSA-N 1 1 455.647 3.397 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001301275083 1066086525 /nfs/dbraw/zinc/08/65/25/1066086525.db2.gz BDVKUECWXHVTFO-VWNXMTODSA-N 1 1 455.647 3.397 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001301282487 1066090798 /nfs/dbraw/zinc/09/07/98/1066090798.db2.gz MFVJUQPCKBHQRB-XZOQPEGZSA-N 1 1 457.667 3.371 20 0 JGADMO COCC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301298710 1066105907 /nfs/dbraw/zinc/10/59/07/1066105907.db2.gz WBEHQNQPJVFIPN-SQJMNOBHSA-N 1 1 463.667 3.446 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301304152 1066108182 /nfs/dbraw/zinc/10/81/82/1066108182.db2.gz JOKWQQUEQZNBTM-QGZVFWFLSA-N 1 1 464.010 3.191 20 0 JGADMO COC[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301342650 1066132698 /nfs/dbraw/zinc/13/26/98/1066132698.db2.gz GNLLEVSLIWWDHB-NHCUHLMSSA-N 1 1 457.619 3.459 20 0 JGADMO COC[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301345202 1066136690 /nfs/dbraw/zinc/13/66/90/1066136690.db2.gz VEGSGNLKAJSPRO-UXHICEINSA-N 1 1 460.623 3.085 20 0 JGADMO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC001301345553 1066137098 /nfs/dbraw/zinc/13/70/98/1066137098.db2.gz HLBTULMNMOLSIV-OFNKIYASSA-N 1 1 495.628 3.373 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cc[nH+]c2C)CCO1 ZINC001301358431 1066148415 /nfs/dbraw/zinc/14/84/15/1066148415.db2.gz MXKKTAWDNXZTNC-KRWDZBQOSA-N 1 1 493.381 3.294 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301361036 1066154611 /nfs/dbraw/zinc/15/46/11/1066154611.db2.gz VBEWVGNWENCTPA-NUJGCVRESA-N 1 1 481.439 3.008 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001301368690 1066163105 /nfs/dbraw/zinc/16/31/05/1066163105.db2.gz KGMPPDHMDRJGLD-WMZOPIPTSA-N 1 1 482.000 3.089 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC001301369176 1066163844 /nfs/dbraw/zinc/16/38/44/1066163844.db2.gz OMDKSGLNWLSZMI-GGPKGHCWSA-N 1 1 463.026 3.498 20 0 JGADMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(OCC)cc3)ccc2C)C1 ZINC001301380007 1066172081 /nfs/dbraw/zinc/17/20/81/1066172081.db2.gz VITIDBSNQNMGSW-LJQANCHMSA-N 1 1 459.612 3.433 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001301386360 1066173560 /nfs/dbraw/zinc/17/35/60/1066173560.db2.gz CWSQEEMUUTZGMY-BVYCBKJFSA-N 1 1 461.582 3.031 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001301389044 1066174947 /nfs/dbraw/zinc/17/49/47/1066174947.db2.gz YCGMLRAZUAMHGM-MXBUBSDBSA-N 1 1 459.610 3.369 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001301398495 1066179683 /nfs/dbraw/zinc/17/96/83/1066179683.db2.gz FUDLUBBVIDXUJR-KNQAVFIVSA-N 1 1 455.628 3.303 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301408652 1066193003 /nfs/dbraw/zinc/19/30/03/1066193003.db2.gz XIEYSLRWCAQJGB-KWOQKUFVSA-N 1 1 471.646 3.446 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301409785 1066195961 /nfs/dbraw/zinc/19/59/61/1066195961.db2.gz KPZCFZKIGGPOOI-FCHUYYIVSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001301414042 1066203186 /nfs/dbraw/zinc/20/31/86/1066203186.db2.gz KIBVQJCETJVEMU-YPAWHYETSA-N 1 1 463.667 3.313 20 0 JGADMO COCCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301430076 1066227523 /nfs/dbraw/zinc/22/75/23/1066227523.db2.gz MFAQNQMKEIYVHV-PGRDOPGGSA-N 1 1 477.600 3.367 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001301945051 1066229983 /nfs/dbraw/zinc/22/99/83/1066229983.db2.gz VKIOAXOCSLAEPL-QQKQFIJSSA-N 1 1 496.700 3.277 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301945035 1066230217 /nfs/dbraw/zinc/23/02/17/1066230217.db2.gz VDOKRIPMAMPKNI-FDFHNCONSA-N 1 1 476.710 3.355 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C(C)(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001301948939 1066243296 /nfs/dbraw/zinc/24/32/96/1066243296.db2.gz ODOHIPVNQYBBCY-OAQYLSRUSA-N 1 1 476.691 3.137 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001301440712 1066247325 /nfs/dbraw/zinc/24/73/25/1066247325.db2.gz LDJZBKYVLXQMJW-QHCPKHFHSA-N 1 1 465.042 3.338 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)C(C)C)CC1 ZINC001301950738 1066247963 /nfs/dbraw/zinc/24/79/63/1066247963.db2.gz HTRYEXRYPCSLSD-UHFFFAOYSA-N 1 1 481.016 3.057 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301950759 1066248051 /nfs/dbraw/zinc/24/80/51/1066248051.db2.gz IQAKXUZXFWYQDS-QFIPXVFZSA-N 1 1 486.636 3.184 20 0 JGADMO COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[NH2+][C@H](c4ccccc4C)C3)CC2)c1 ZINC001301952607 1066253684 /nfs/dbraw/zinc/25/36/84/1066253684.db2.gz RYDYVEIFZRBPGP-DEOSSOPVSA-N 1 1 451.567 3.038 20 0 JGADMO COCC[C@@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001301450885 1066265409 /nfs/dbraw/zinc/26/54/09/1066265409.db2.gz NWXYDQGBPSEBFN-JYFHCDHNSA-N 1 1 487.645 3.135 20 0 JGADMO COCC[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301460772 1066282188 /nfs/dbraw/zinc/28/21/88/1066282188.db2.gz XSUPZEOUTLBRLX-AREMUKBSSA-N 1 1 471.646 3.408 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001301984998 1066295432 /nfs/dbraw/zinc/29/54/32/1066295432.db2.gz RCXBPOCMFJOXOC-JFDBCFPISA-N 1 1 493.693 3.000 20 0 JGADMO COCCC1(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CCCC1 ZINC001301480139 1066301337 /nfs/dbraw/zinc/30/13/37/1066301337.db2.gz KMMKBRJCBIWHEV-ISKFKSNPSA-N 1 1 488.721 3.452 20 0 JGADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301990654 1066309337 /nfs/dbraw/zinc/30/93/37/1066309337.db2.gz SPNBWSIFZCLGJQ-IRXDYDNUSA-N 1 1 483.082 3.373 20 0 JGADMO COCCO[C@H](C)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CCCn1cc[nH+]c1C ZINC001301993428 1066317526 /nfs/dbraw/zinc/31/75/26/1066317526.db2.gz KBQGWONLVJCYFB-RBUKOAKNSA-N 1 1 454.575 3.385 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CCCn1cc[nH+]c1C ZINC001301993427 1066317595 /nfs/dbraw/zinc/31/75/95/1066317595.db2.gz KBQGWONLVJCYFB-OALUTQOASA-N 1 1 454.575 3.385 20 0 JGADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 ZINC001301493674 1066318711 /nfs/dbraw/zinc/31/87/11/1066318711.db2.gz BRHHWNCPATWCKL-UHFFFAOYSA-N 1 1 455.624 3.338 20 0 JGADMO O=C(Nc1cc(-c2cccnc2)nn1CCO)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001301494578 1066319477 /nfs/dbraw/zinc/31/94/77/1066319477.db2.gz UYBBKHCRCNUGAK-JOCHJYFZSA-N 1 1 459.472 3.331 20 0 JGADMO O=C(Nc1cc(-c2cccnc2)nn1CCO)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001301494581 1066319619 /nfs/dbraw/zinc/31/96/19/1066319619.db2.gz UYBBKHCRCNUGAK-QFIPXVFZSA-N 1 1 459.472 3.331 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCOc1cc(C)cc(C)c1 ZINC001301996829 1066325283 /nfs/dbraw/zinc/32/52/83/1066325283.db2.gz AJXJFTKRDYRMJB-YPAWHYETSA-N 1 1 457.619 3.371 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001301997563 1066327233 /nfs/dbraw/zinc/32/72/33/1066327233.db2.gz DKGFOBOGNLDDCH-YSFYHYPLSA-N 1 1 457.619 3.451 20 0 JGADMO CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001301503814 1066329893 /nfs/dbraw/zinc/32/98/93/1066329893.db2.gz LEPVUWSWAXUSHY-RDPSFJRHSA-N 1 1 457.640 3.381 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCCC(C)(C)C1)S(C)(=O)=O ZINC001301999190 1066329907 /nfs/dbraw/zinc/32/99/07/1066329907.db2.gz AFDLRRMETNCHCU-RBUKOAKNSA-N 1 1 495.665 3.376 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCCC(C)(C)C1)S(C)(=O)=O ZINC001301999190 1066329925 /nfs/dbraw/zinc/32/99/25/1066329925.db2.gz AFDLRRMETNCHCU-RBUKOAKNSA-N 1 1 495.665 3.376 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301504388 1066330983 /nfs/dbraw/zinc/33/09/83/1066330983.db2.gz AOSHMFKXFBDNOA-ROUUACIJSA-N 1 1 465.545 3.130 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001302000030 1066333645 /nfs/dbraw/zinc/33/36/45/1066333645.db2.gz DVTKNOLIFYAGAH-KZNAEPCWSA-N 1 1 490.605 3.028 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001302000028 1066333730 /nfs/dbraw/zinc/33/37/30/1066333730.db2.gz DVTKNOLIFYAGAH-KURKYZTESA-N 1 1 490.605 3.028 20 0 JGADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCCCC1 ZINC001302001170 1066335127 /nfs/dbraw/zinc/33/51/27/1066335127.db2.gz HLDJXHSUOGBNCM-PMACEKPBSA-N 1 1 472.659 3.025 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302002083 1066336631 /nfs/dbraw/zinc/33/66/31/1066336631.db2.gz ZCLIBGSVXLEERJ-APWZRJJASA-N 1 1 487.567 3.367 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001301508221 1066337417 /nfs/dbraw/zinc/33/74/17/1066337417.db2.gz YSARCEOITVDQCP-IEBWSBKVSA-N 1 1 466.001 3.447 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302007730 1066349472 /nfs/dbraw/zinc/34/94/72/1066349472.db2.gz KJHOGCRHTAOADK-CVEARBPZSA-N 1 1 456.513 3.240 20 0 JGADMO COCCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001301525300 1066351708 /nfs/dbraw/zinc/35/17/08/1066351708.db2.gz INKMXOGOINXQRY-KRWDZBQOSA-N 1 1 482.398 3.184 20 0 JGADMO COCCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001301525300 1066351724 /nfs/dbraw/zinc/35/17/24/1066351724.db2.gz INKMXOGOINXQRY-KRWDZBQOSA-N 1 1 482.398 3.184 20 0 JGADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302009414 1066352412 /nfs/dbraw/zinc/35/24/12/1066352412.db2.gz VCGSAJKUCXUICF-FGZHOGPDSA-N 1 1 474.694 3.304 20 0 JGADMO COCCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001301526948 1066353999 /nfs/dbraw/zinc/35/39/99/1066353999.db2.gz RSBTVMIJDRCNGB-BWKNWUBXSA-N 1 1 498.672 3.149 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1Cc1cnn(C)c1C ZINC001302011740 1066355183 /nfs/dbraw/zinc/35/51/83/1066355183.db2.gz HHAOBXDPWBMIIW-IRLDBZIGSA-N 1 1 481.645 3.193 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001302022715 1066376912 /nfs/dbraw/zinc/37/69/12/1066376912.db2.gz PJGMUXHRECUBFG-SQJMNOBHSA-N 1 1 456.635 3.218 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001302022879 1066377276 /nfs/dbraw/zinc/37/72/76/1066377276.db2.gz GJXCYIMHSGIUCR-NJRJFZHGSA-N 1 1 481.657 3.466 20 0 JGADMO Cc1ccsc1CCCC(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001301550007 1066378309 /nfs/dbraw/zinc/37/83/09/1066378309.db2.gz DPCXJPVYXPKMEV-UHFFFAOYSA-N 1 1 454.640 3.461 20 0 JGADMO COCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301552842 1066381596 /nfs/dbraw/zinc/38/15/96/1066381596.db2.gz ZAFOMNARWICUGK-UHFFFAOYSA-N 1 1 489.667 3.159 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCOCC2)CCO1 ZINC001302026082 1066385841 /nfs/dbraw/zinc/38/58/41/1066385841.db2.gz AWBOQHUKWDPMJJ-VWLOTQADSA-N 1 1 459.610 3.372 20 0 JGADMO COCCCCn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001301574264 1066399206 /nfs/dbraw/zinc/39/92/06/1066399206.db2.gz LIQYOOXIBYWGDA-UHFFFAOYSA-N 1 1 451.619 3.050 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302035442 1066404598 /nfs/dbraw/zinc/40/45/98/1066404598.db2.gz FXUULDREWBDQRV-LLGFUMIMSA-N 1 1 490.476 3.133 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302035442 1066404607 /nfs/dbraw/zinc/40/46/07/1066404607.db2.gz FXUULDREWBDQRV-LLGFUMIMSA-N 1 1 490.476 3.133 20 0 JGADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC001301599597 1066442645 /nfs/dbraw/zinc/44/26/45/1066442645.db2.gz WLPLSPLMAGYUEG-NRFANRHFSA-N 1 1 455.603 3.346 20 0 JGADMO COCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001301601501 1066445391 /nfs/dbraw/zinc/44/53/91/1066445391.db2.gz CJONAGGZSSFFHS-LEWJYISDSA-N 1 1 492.665 3.076 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302055572 1066449945 /nfs/dbraw/zinc/44/99/45/1066449945.db2.gz QIWIUHGXDNAFDX-LEWJYISDSA-N 1 1 492.665 3.100 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302055642 1066450379 /nfs/dbraw/zinc/45/03/79/1066450379.db2.gz QWVDCTLIXZBLAY-PTUXOGIPSA-N 1 1 488.681 3.172 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302056830 1066453596 /nfs/dbraw/zinc/45/35/96/1066453596.db2.gz VUNRAABQUPADKZ-YDIMBITNSA-N 1 1 492.690 3.033 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001301607707 1066454282 /nfs/dbraw/zinc/45/42/82/1066454282.db2.gz PCLINSXJEIFIJO-NRFANRHFSA-N 1 1 483.455 3.399 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001301608281 1066455775 /nfs/dbraw/zinc/45/57/75/1066455775.db2.gz YZZQZDAJPPZFIV-GOSISDBHSA-N 1 1 494.434 3.065 20 0 JGADMO COCCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)C)CC1 ZINC001301609093 1066456435 /nfs/dbraw/zinc/45/64/35/1066456435.db2.gz XCHNYYMALZHIOB-UHFFFAOYSA-N 1 1 479.467 3.206 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)C)CC1 ZINC001301609093 1066456439 /nfs/dbraw/zinc/45/64/39/1066456439.db2.gz XCHNYYMALZHIOB-UHFFFAOYSA-N 1 1 479.467 3.206 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301609909 1066456959 /nfs/dbraw/zinc/45/69/59/1066456959.db2.gz KYDCJIFLLZYZRF-SFHVURJKSA-N 1 1 476.597 3.156 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001301612553 1066460568 /nfs/dbraw/zinc/46/05/68/1066460568.db2.gz DSGIFZGTZAQLNQ-RCZVLFRGSA-N 1 1 473.618 3.154 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCSC2)C1 ZINC001301613031 1066461679 /nfs/dbraw/zinc/46/16/79/1066461679.db2.gz ISNBDZNGQLJLBJ-QHCPKHFHSA-N 1 1 465.614 3.449 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001301613019 1066461775 /nfs/dbraw/zinc/46/17/75/1066461775.db2.gz IITDQLUQGPESCN-OAQYLSRUSA-N 1 1 478.588 3.093 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001301613829 1066463917 /nfs/dbraw/zinc/46/39/17/1066463917.db2.gz RRONEBIFTABBOS-PWRODBHTSA-N 1 1 476.666 3.350 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCSC2(CCCCC2)C1 ZINC001301613851 1066463976 /nfs/dbraw/zinc/46/39/76/1066463976.db2.gz RZDUCNZAOAUDSM-HXUWFJFHSA-N 1 1 451.681 3.397 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001301614171 1066464365 /nfs/dbraw/zinc/46/43/65/1066464365.db2.gz WCLXKHHIAAJSSK-HXUWFJFHSA-N 1 1 450.587 3.020 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(F)cc(F)c2C1 ZINC001301617966 1066470155 /nfs/dbraw/zinc/47/01/55/1066470155.db2.gz LPTCGWDTMMYXNY-UHFFFAOYSA-N 1 1 476.597 3.443 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCN1CCCCCC1=O ZINC001302068533 1066472083 /nfs/dbraw/zinc/47/20/83/1066472083.db2.gz PXECEDVNBBPVKS-OAQYLSRUSA-N 1 1 478.682 3.105 20 0 JGADMO COCCCN(c1nnc(C2CCCC2)n1CC[N@@H+]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001301619846 1066474746 /nfs/dbraw/zinc/47/47/46/1066474746.db2.gz FRGHPZVDHCQJDS-NRFANRHFSA-N 1 1 481.707 3.088 20 0 JGADMO COCCCN(c1nnc(C2CCCC2)n1CC[N@H+]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001301619846 1066474754 /nfs/dbraw/zinc/47/47/54/1066474754.db2.gz FRGHPZVDHCQJDS-NRFANRHFSA-N 1 1 481.707 3.088 20 0 JGADMO COCCCN(c1nnc(C2CCCC2)n1CC[N@@H+]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001301619847 1066474779 /nfs/dbraw/zinc/47/47/79/1066474779.db2.gz FRGHPZVDHCQJDS-OAQYLSRUSA-N 1 1 481.707 3.088 20 0 JGADMO COCCCN(c1nnc(C2CCCC2)n1CC[N@H+]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001301619847 1066474785 /nfs/dbraw/zinc/47/47/85/1066474785.db2.gz FRGHPZVDHCQJDS-OAQYLSRUSA-N 1 1 481.707 3.088 20 0 JGADMO COCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301623250 1066482171 /nfs/dbraw/zinc/48/21/71/1066482171.db2.gz SXYRVYPHPCKSFJ-BAGYTPMASA-N 1 1 457.619 3.228 20 0 JGADMO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301627161 1066485228 /nfs/dbraw/zinc/48/52/28/1066485228.db2.gz NDZBKMZJVQIAMQ-YPJQPHLHSA-N 1 1 466.630 3.268 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302073778 1066485925 /nfs/dbraw/zinc/48/59/25/1066485925.db2.gz WIBVMCKHEKIKDD-PCCBWWKXSA-N 1 1 491.706 3.296 20 0 JGADMO COCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001301630781 1066492275 /nfs/dbraw/zinc/49/22/75/1066492275.db2.gz PCDTXOYATZIONM-KRWDZBQOSA-N 1 1 466.424 3.209 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301634041 1066495916 /nfs/dbraw/zinc/49/59/16/1066495916.db2.gz CSHJVWFJJIKFIL-UHFFFAOYSA-N 1 1 475.037 3.156 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301634041 1066495924 /nfs/dbraw/zinc/49/59/24/1066495924.db2.gz CSHJVWFJJIKFIL-UHFFFAOYSA-N 1 1 475.037 3.156 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001302080416 1066496675 /nfs/dbraw/zinc/49/66/75/1066496675.db2.gz PDJYQYGDQYSXOB-SFTDATJTSA-N 1 1 450.672 3.043 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302080416 1066496679 /nfs/dbraw/zinc/49/66/79/1066496679.db2.gz PDJYQYGDQYSXOB-SFTDATJTSA-N 1 1 450.672 3.043 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302080596 1066497416 /nfs/dbraw/zinc/49/74/16/1066497416.db2.gz SQMKVOLEGDMOGH-WOJBJXKFSA-N 1 1 494.681 3.180 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccn3C)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001301636180 1066500349 /nfs/dbraw/zinc/50/03/49/1066500349.db2.gz ZHBOXCSRVZPPLE-UHFFFAOYSA-N 1 1 455.651 3.385 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301638335 1066502095 /nfs/dbraw/zinc/50/20/95/1066502095.db2.gz NQYNVDPQYYILDD-BGYRXZFFSA-N 1 1 467.662 3.464 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001301638303 1066502190 /nfs/dbraw/zinc/50/21/90/1066502190.db2.gz NCHAIYXSRXKNBV-UHFFFAOYSA-N 1 1 478.645 3.014 20 0 JGADMO COCCCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001301646766 1066510346 /nfs/dbraw/zinc/51/03/46/1066510346.db2.gz CGGPPTGJAPZYCL-UHFFFAOYSA-N 1 1 458.626 3.039 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302086981 1066511675 /nfs/dbraw/zinc/51/16/75/1066511675.db2.gz ORTZCRARTGOSGL-HSZRJFAPSA-N 1 1 488.721 3.432 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001302088689 1066514523 /nfs/dbraw/zinc/51/45/23/1066514523.db2.gz FXFWVCYCWOPHGH-OALUTQOASA-N 1 1 492.690 3.105 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+](C)C(C)C)C1 ZINC001301649697 1066515715 /nfs/dbraw/zinc/51/57/15/1066515715.db2.gz XERFBCFXBHPLFR-QUCCMNQESA-N 1 1 460.598 3.202 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC1(C)CCOCC1 ZINC001302090052 1066517078 /nfs/dbraw/zinc/51/70/78/1066517078.db2.gz SDEBGHLGGOWMJN-IBGZPJMESA-N 1 1 463.648 3.203 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001302090439 1066517830 /nfs/dbraw/zinc/51/78/30/1066517830.db2.gz VGIPMDPSCLWBME-NQIIRXRSSA-N 1 1 497.562 3.370 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001302092126 1066519946 /nfs/dbraw/zinc/51/99/46/1066519946.db2.gz PAKBBWSFZRMQRA-MSOLQXFVSA-N 1 1 462.664 3.479 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302093910 1066522322 /nfs/dbraw/zinc/52/23/22/1066522322.db2.gz XZGWFWBDYRHXTG-FUHWJXTLSA-N 1 1 499.582 3.358 20 0 JGADMO COCCCn1c(CCc2ccccc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301653298 1066522516 /nfs/dbraw/zinc/52/25/16/1066522516.db2.gz GMVWNSXPBJZHJP-SZPZYZBQSA-N 1 1 455.647 3.425 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCC(=O)N1CCCCC1 ZINC001302094427 1066523321 /nfs/dbraw/zinc/52/33/21/1066523321.db2.gz CAYPMGRIIJOQSB-UHFFFAOYSA-N 1 1 456.610 3.440 20 0 JGADMO COCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001301654709 1066523949 /nfs/dbraw/zinc/52/39/49/1066523949.db2.gz QNUZTRVCEVSNTO-UHFFFAOYSA-N 1 1 455.582 3.028 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H]1CCSC1(C)C ZINC001302095739 1066525716 /nfs/dbraw/zinc/52/57/16/1066525716.db2.gz WNQGWXLARYPJQP-UFYCRDLUSA-N 1 1 481.707 3.223 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302096482 1066527120 /nfs/dbraw/zinc/52/71/20/1066527120.db2.gz HLLMWDBDSPJLBE-DNRQZRRGSA-N 1 1 481.682 3.000 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302096829 1066527922 /nfs/dbraw/zinc/52/79/22/1066527922.db2.gz VHUJAAXPGIYDAX-HSZRJFAPSA-N 1 1 472.653 3.274 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H]1CC=CCC1 ZINC001302096852 1066528116 /nfs/dbraw/zinc/52/81/16/1066528116.db2.gz WEXRVHCXUFUGGI-FGZHOGPDSA-N 1 1 453.631 3.494 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302096767 1066528225 /nfs/dbraw/zinc/52/82/25/1066528225.db2.gz IPSWZKLIPOCOPR-DNRQZRRGSA-N 1 1 481.682 3.144 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001302097357 1066529481 /nfs/dbraw/zinc/52/94/81/1066529481.db2.gz URCXDYRGLGAWNW-UHFFFAOYSA-N 1 1 451.681 3.103 20 0 JGADMO CC(C)(C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001302097239 1066529586 /nfs/dbraw/zinc/52/95/86/1066529586.db2.gz UBVQVTXTZLBJIT-LJQANCHMSA-N 1 1 467.536 3.224 20 0 JGADMO CC(C)(C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001302097239 1066529595 /nfs/dbraw/zinc/52/95/95/1066529595.db2.gz UBVQVTXTZLBJIT-LJQANCHMSA-N 1 1 467.536 3.224 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001302098429 1066530819 /nfs/dbraw/zinc/53/08/19/1066530819.db2.gz PMCCERLCEOCLJA-KSZLIROESA-N 1 1 463.545 3.034 20 0 JGADMO COCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001301661074 1066532041 /nfs/dbraw/zinc/53/20/41/1066532041.db2.gz RHDJOQLWLCDWGF-DHIUTWEWSA-N 1 1 476.710 3.228 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301662479 1066534700 /nfs/dbraw/zinc/53/47/00/1066534700.db2.gz QDBMVQVHZGECCH-QHCPKHFHSA-N 1 1 466.630 3.040 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302107857 1066543851 /nfs/dbraw/zinc/54/38/51/1066543851.db2.gz MSPGQRFYJFOTGP-RZUBCFFCSA-N 1 1 461.607 3.293 20 0 JGADMO COCCCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001301670854 1066548215 /nfs/dbraw/zinc/54/82/15/1066548215.db2.gz IUKFMNFWFBERKP-QFIPXVFZSA-N 1 1 471.646 3.160 20 0 JGADMO COCCCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001301670854 1066548220 /nfs/dbraw/zinc/54/82/20/1066548220.db2.gz IUKFMNFWFBERKP-QFIPXVFZSA-N 1 1 471.646 3.160 20 0 JGADMO COCCCOC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301672807 1066551028 /nfs/dbraw/zinc/55/10/28/1066551028.db2.gz FDPNDSKGVMHFPO-OAQYLSRUSA-N 1 1 490.693 3.047 20 0 JGADMO COCCCOc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001301674452 1066554650 /nfs/dbraw/zinc/55/46/50/1066554650.db2.gz MBRXWJWXBQRTLX-JOCHJYFZSA-N 1 1 457.619 3.166 20 0 JGADMO COCCCOc1cccc(Cn2c(N3CC[C@@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)c1 ZINC001301674827 1066555162 /nfs/dbraw/zinc/55/51/62/1066555162.db2.gz RARIGQJWUDHRKA-QFIPXVFZSA-N 1 1 471.646 3.198 20 0 JGADMO COCCCOc1cccc(Cn2c(N3CC[C@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)c1 ZINC001301674824 1066555208 /nfs/dbraw/zinc/55/52/08/1066555208.db2.gz RARIGQJWUDHRKA-JOCHJYFZSA-N 1 1 471.646 3.198 20 0 JGADMO COCCOC1(Cn2c(C(C)C)nnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCOCC1 ZINC001302120138 1066560638 /nfs/dbraw/zinc/56/06/38/1066560638.db2.gz GBPFXWFLCYZMHW-UHFFFAOYSA-N 1 1 489.636 3.465 20 0 JGADMO COCCOC1(Cn2c(CC3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)CCOCC1 ZINC001302123789 1066568270 /nfs/dbraw/zinc/56/82/70/1066568270.db2.gz MJXXANGDKKMWCP-UHFFFAOYSA-N 1 1 463.667 3.144 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302132660 1066577664 /nfs/dbraw/zinc/57/76/64/1066577664.db2.gz AYEXXCKJYSBYQX-QFIPXVFZSA-N 1 1 481.567 3.219 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001302133551 1066579253 /nfs/dbraw/zinc/57/92/53/1066579253.db2.gz PHCVQJBJKSFOBT-FTJBHMTQSA-N 1 1 455.647 3.466 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302135579 1066581287 /nfs/dbraw/zinc/58/12/87/1066581287.db2.gz KIBKOUSEZQKWPS-UHFFFAOYSA-N 1 1 469.674 3.411 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001301696643 1066585555 /nfs/dbraw/zinc/58/55/55/1066585555.db2.gz RFXNWPPHDNMTHN-INIZCTEOSA-N 1 1 481.428 3.031 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001301696643 1066585562 /nfs/dbraw/zinc/58/55/62/1066585562.db2.gz RFXNWPPHDNMTHN-INIZCTEOSA-N 1 1 481.428 3.031 20 0 JGADMO COCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001301698197 1066586966 /nfs/dbraw/zinc/58/69/66/1066586966.db2.gz KRFZAAQUGFKCQR-UXHICEINSA-N 1 1 481.645 3.439 20 0 JGADMO COCCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302140213 1066587547 /nfs/dbraw/zinc/58/75/47/1066587547.db2.gz HBICPOWZZJCXAP-NRFANRHFSA-N 1 1 457.619 3.166 20 0 JGADMO COCCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302142497 1066591689 /nfs/dbraw/zinc/59/16/89/1066591689.db2.gz YZIKVGFARSWWMK-OAQYLSRUSA-N 1 1 471.646 3.099 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001301704737 1066593836 /nfs/dbraw/zinc/59/38/36/1066593836.db2.gz UIJLQNOWUCEXDH-UHFFFAOYSA-N 1 1 468.646 3.407 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccs3)C[C@H]2C)CC1 ZINC001301707064 1066596778 /nfs/dbraw/zinc/59/67/78/1066596778.db2.gz AYURTEOKLHBSHG-WIYYLYMNSA-N 1 1 458.676 3.259 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC(=O)Nc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001301707108 1066597027 /nfs/dbraw/zinc/59/70/27/1066597027.db2.gz BHKPKTKVWUXCNS-FYYLOGMGSA-N 1 1 495.672 3.036 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C)cc3C)C[C@@H]2C)CC1 ZINC001301707301 1066597436 /nfs/dbraw/zinc/59/74/36/1066597436.db2.gz BSPIMKGJEPVBJW-URXFXBBRSA-N 1 1 452.647 3.446 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C)c(C)s3)C[C@@H]2C)CC1 ZINC001301707586 1066598135 /nfs/dbraw/zinc/59/81/35/1066598135.db2.gz DIKUQEVNTQWCOF-LAUBAEHRSA-N 1 1 487.718 3.367 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001302149268 1066599770 /nfs/dbraw/zinc/59/97/70/1066599770.db2.gz ZOMZFTFBFAIOSC-APWZRJJASA-N 1 1 495.466 3.161 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCCOc3ccccc3)C[C@@H]2C)CC1 ZINC001301708295 1066600143 /nfs/dbraw/zinc/60/01/43/1066600143.db2.gz KVVNWQHAKNDLJJ-URXFXBBRSA-N 1 1 468.646 3.250 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)Oc3ccccc3F)C[C@H]2C)CC1 ZINC001301708286 1066600168 /nfs/dbraw/zinc/60/01/68/1066600168.db2.gz KTWABRMWDZVYRF-TXTKFYIRSA-N 1 1 486.636 3.387 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)c3ccccc3F)C[C@H]2C)CC1 ZINC001301708275 1066600186 /nfs/dbraw/zinc/60/01/86/1066600186.db2.gz KPAXBXMSARKVFR-WZONZLPQSA-N 1 1 456.610 3.082 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)N(C)c3ccccc3)C[C@H]2C)CC1 ZINC001301708337 1066600689 /nfs/dbraw/zinc/60/06/89/1066600689.db2.gz LRIMZIFRAKPRAY-TZBSWOFLSA-N 1 1 481.689 3.305 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708740 1066601969 /nfs/dbraw/zinc/60/19/69/1066601969.db2.gz PSCSXEGZXYVYQH-JTHBVZDNSA-N 1 1 462.683 3.233 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC4CCCC4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001301709650 1066603648 /nfs/dbraw/zinc/60/36/48/1066603648.db2.gz VPAAXHVZKARLPO-NZQKXSOJSA-N 1 1 474.694 3.205 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC2(CCCC2)C1 ZINC001301710493 1066604881 /nfs/dbraw/zinc/60/48/81/1066604881.db2.gz JGOLDXRGWUQWIU-UHFFFAOYSA-N 1 1 455.607 3.054 20 0 JGADMO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301710726 1066605571 /nfs/dbraw/zinc/60/55/71/1066605571.db2.gz ACOIJYZGXWYNRB-HXUWFJFHSA-N 1 1 495.672 3.328 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302153115 1066605798 /nfs/dbraw/zinc/60/57/98/1066605798.db2.gz WRDDEOUGIVDTII-RTWAWAEBSA-N 1 1 475.609 3.073 20 0 JGADMO COCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001301711434 1066606759 /nfs/dbraw/zinc/60/67/59/1066606759.db2.gz ZSGCHFJMCFADDU-AQNXPRMDSA-N 1 1 464.655 3.396 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001302153530 1066607489 /nfs/dbraw/zinc/60/74/89/1066607489.db2.gz ZMWOKTMKSNBJRV-VXKWHMMOSA-N 1 1 456.635 3.340 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001302153555 1066607526 /nfs/dbraw/zinc/60/75/26/1066607526.db2.gz DVRKSEQUJYUUMB-FQEVSTJZSA-N 1 1 452.647 3.407 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301712507 1066609256 /nfs/dbraw/zinc/60/92/56/1066609256.db2.gz GDEZGERWWNKWSU-VWNXMTODSA-N 1 1 498.672 3.060 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001301713324 1066611714 /nfs/dbraw/zinc/61/17/14/1066611714.db2.gz KPQLLTYTEJYYDG-DEOSSOPVSA-N 1 1 478.037 3.341 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001301713383 1066612318 /nfs/dbraw/zinc/61/23/18/1066612318.db2.gz LBSWGGPKITXPPL-IRLDBZIGSA-N 1 1 489.686 3.333 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001301713385 1066612383 /nfs/dbraw/zinc/61/23/83/1066612383.db2.gz LBSWGGPKITXPPL-RBBKRZOGSA-N 1 1 489.686 3.333 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001301713651 1066612399 /nfs/dbraw/zinc/61/23/99/1066612399.db2.gz LMGNYBYWVCZVSU-CQSZACIVSA-N 1 1 475.382 3.486 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC001301713852 1066614264 /nfs/dbraw/zinc/61/42/64/1066614264.db2.gz HZYSWBAEVGVVER-SQNIBIBYSA-N 1 1 458.582 3.097 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001301714585 1066616131 /nfs/dbraw/zinc/61/61/31/1066616131.db2.gz MZDWVRULXRHNTR-QZTJIDSGSA-N 1 1 469.565 3.209 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301715581 1066617337 /nfs/dbraw/zinc/61/73/37/1066617337.db2.gz GMLHUAZRUNZDLM-IBGZPJMESA-N 1 1 475.638 3.077 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001301717775 1066619248 /nfs/dbraw/zinc/61/92/48/1066619248.db2.gz UHPMFNAQQLMCNC-VWLOTQADSA-N 1 1 473.618 3.284 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001301717202 1066619407 /nfs/dbraw/zinc/61/94/07/1066619407.db2.gz OMPOPBAPNJAGDP-YADARESESA-N 1 1 478.037 3.341 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001301718185 1066620655 /nfs/dbraw/zinc/62/06/55/1066620655.db2.gz DELXCHXLTAMELE-SANMLTNESA-N 1 1 497.644 3.204 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001301719710 1066621768 /nfs/dbraw/zinc/62/17/68/1066621768.db2.gz VOJCAWPXIUZLBG-FUHIMQAGSA-N 1 1 460.450 3.161 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302163941 1066624385 /nfs/dbraw/zinc/62/43/85/1066624385.db2.gz UJILQHTWUZOKMR-UHFFFAOYSA-N 1 1 486.686 3.030 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302164885 1066626286 /nfs/dbraw/zinc/62/62/86/1066626286.db2.gz HORBSTJTSQMRCO-OAQYLSRUSA-N 1 1 476.616 3.318 20 0 JGADMO COCCN(C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301721619 1066627589 /nfs/dbraw/zinc/62/75/89/1066627589.db2.gz MEQKXYLTPMCDJK-UHFFFAOYSA-N 1 1 497.688 3.180 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302165880 1066628787 /nfs/dbraw/zinc/62/87/87/1066628787.db2.gz PQBIVMUWVOLBSC-UHFFFAOYSA-N 1 1 458.626 3.443 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302165880 1066628791 /nfs/dbraw/zinc/62/87/91/1066628791.db2.gz PQBIVMUWVOLBSC-UHFFFAOYSA-N 1 1 458.626 3.443 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)Cc1nccs1 ZINC001301722060 1066628890 /nfs/dbraw/zinc/62/88/90/1066628890.db2.gz NDVMFDJFENGELV-UHFFFAOYSA-N 1 1 451.600 3.473 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)c1ccc(C)cc1 ZINC001301722112 1066629657 /nfs/dbraw/zinc/62/96/57/1066629657.db2.gz NWMIXSOKSOMPDT-UHFFFAOYSA-N 1 1 485.658 3.201 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302166474 1066629840 /nfs/dbraw/zinc/62/98/40/1066629840.db2.gz QIBLEDMQBJGQGO-UHFFFAOYSA-N 1 1 464.655 3.035 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001301723139 1066633471 /nfs/dbraw/zinc/63/34/71/1066633471.db2.gz XCIGFEDIDGDZEE-QFIPXVFZSA-N 1 1 485.551 3.062 20 0 JGADMO COCCOC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302169363 1066638334 /nfs/dbraw/zinc/63/83/34/1066638334.db2.gz OTZKQCTZBMAJLH-UHFFFAOYSA-N 1 1 478.037 3.341 20 0 JGADMO COCCOC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302169363 1066638337 /nfs/dbraw/zinc/63/83/37/1066638337.db2.gz OTZKQCTZBMAJLH-UHFFFAOYSA-N 1 1 478.037 3.341 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302169466 1066638356 /nfs/dbraw/zinc/63/83/56/1066638356.db2.gz QFJRWFCRHDZWDO-WMZOPIPTSA-N 1 1 451.974 3.464 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001301725240 1066638897 /nfs/dbraw/zinc/63/88/97/1066638897.db2.gz AECUNCSCHKHMLT-UHFFFAOYSA-N 1 1 470.662 3.173 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302169734 1066639061 /nfs/dbraw/zinc/63/90/61/1066639061.db2.gz VIADNCFMIRZZAD-MOPGFXCFSA-N 1 1 463.026 3.356 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001301725400 1066639622 /nfs/dbraw/zinc/63/96/22/1066639622.db2.gz FQXKOSNGPJURED-LJQANCHMSA-N 1 1 458.010 3.294 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001301725917 1066641436 /nfs/dbraw/zinc/64/14/36/1066641436.db2.gz KJWDWFKEYDVSLQ-SFHVURJKSA-N 1 1 496.399 3.099 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001301726106 1066642300 /nfs/dbraw/zinc/64/23/00/1066642300.db2.gz PEAQFRAAYVGJPQ-QHCPKHFHSA-N 1 1 482.000 3.090 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C)C1 ZINC001301726463 1066642865 /nfs/dbraw/zinc/64/28/65/1066642865.db2.gz SQYCXOBAGLJJHC-OAHLLOKOSA-N 1 1 454.438 3.228 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001301726455 1066643024 /nfs/dbraw/zinc/64/30/24/1066643024.db2.gz SKHNYRNQLKOYKH-UZLBHIALSA-N 1 1 451.999 3.047 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001301726936 1066644123 /nfs/dbraw/zinc/64/41/23/1066644123.db2.gz XOFXZGOFACSTDM-FQEVSTJZSA-N 1 1 458.010 3.424 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1c1nncn1C ZINC001301727054 1066644149 /nfs/dbraw/zinc/64/41/49/1066644149.db2.gz ZIOSDWZQUYXARD-GOSISDBHSA-N 1 1 479.416 3.300 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302173309 1066644231 /nfs/dbraw/zinc/64/42/31/1066644231.db2.gz JJFQAOZLIFIVIY-IBGZPJMESA-N 1 1 451.681 3.146 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302173138 1066644309 /nfs/dbraw/zinc/64/43/09/1066644309.db2.gz QIBHELWQWOSRML-OAQYLSRUSA-N 1 1 494.606 3.452 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001301727290 1066644295 /nfs/dbraw/zinc/64/42/95/1066644295.db2.gz ARHZTRBYACQRLZ-KRWDZBQOSA-N 1 1 459.982 3.252 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301727628 1066645086 /nfs/dbraw/zinc/64/50/86/1066645086.db2.gz HXXNSIAIVZHCLC-KRWDZBQOSA-N 1 1 479.025 3.280 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(C)CC1COC(C)(C)OC1 ZINC001301727588 1066645177 /nfs/dbraw/zinc/64/51/77/1066645177.db2.gz GXXAJIVGCMSBME-UHFFFAOYSA-N 1 1 496.450 3.121 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(F)(F)C1 ZINC001301727872 1066645897 /nfs/dbraw/zinc/64/58/97/1066645897.db2.gz MUFCAAHFSAUCAB-UHFFFAOYSA-N 1 1 474.350 3.140 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001301730100 1066648486 /nfs/dbraw/zinc/64/84/86/1066648486.db2.gz PHYMBZKGCNTOJX-RTBURBONSA-N 1 1 455.632 3.039 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001301732128 1066652065 /nfs/dbraw/zinc/65/20/65/1066652065.db2.gz REPSAGJKUQYOLG-WOJBJXKFSA-N 1 1 478.682 3.453 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001302177437 1066652340 /nfs/dbraw/zinc/65/23/40/1066652340.db2.gz WFZWPWRMZXMXMR-SQJMNOBHSA-N 1 1 459.610 3.215 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001301733489 1066654025 /nfs/dbraw/zinc/65/40/25/1066654025.db2.gz GMAPMDXBEMYAIU-IBGZPJMESA-N 1 1 473.572 3.072 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001301734961 1066656620 /nfs/dbraw/zinc/65/66/20/1066656620.db2.gz TZIKGMBZLFZMEH-FQEVSTJZSA-N 1 1 492.596 3.068 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1Cc2cccc(Br)c2C1 ZINC001301735217 1066656652 /nfs/dbraw/zinc/65/66/52/1066656652.db2.gz XGUMPLAFWRJUFK-UHFFFAOYSA-N 1 1 471.403 3.125 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC2(CC2)C1 ZINC001301735939 1066657880 /nfs/dbraw/zinc/65/78/80/1066657880.db2.gz GRAWAPLVPBAZSL-UHFFFAOYSA-N 1 1 484.428 3.359 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@H]1C ZINC001301736906 1066659253 /nfs/dbraw/zinc/65/92/53/1066659253.db2.gz QFIGNEHFLANATQ-MRXNPFEDSA-N 1 1 484.464 3.140 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001301744275 1066668674 /nfs/dbraw/zinc/66/86/74/1066668674.db2.gz LHZSNHYDVLVMCM-CEXWTWQISA-N 1 1 474.600 3.325 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)CC1 ZINC001302192227 1066675979 /nfs/dbraw/zinc/67/59/79/1066675979.db2.gz HJCYSGVKVFPPAB-AVRDEDQJSA-N 1 1 469.721 3.024 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC001301748631 1066677235 /nfs/dbraw/zinc/67/72/35/1066677235.db2.gz BVSJEBVXBPHVKU-HXUWFJFHSA-N 1 1 451.619 3.068 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC001301748910 1066677998 /nfs/dbraw/zinc/67/79/98/1066677998.db2.gz DZLRPJPBURGEAC-JTHBVZDNSA-N 1 1 468.646 3.343 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001302194140 1066681141 /nfs/dbraw/zinc/68/11/41/1066681141.db2.gz BVRFARKQMDXNMM-UHFFFAOYSA-N 1 1 470.643 3.230 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2ccccn2)CC1 ZINC001302194535 1066681513 /nfs/dbraw/zinc/68/15/13/1066681513.db2.gz GEYHRYCAKGIUJK-UHFFFAOYSA-N 1 1 477.617 3.133 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001302194879 1066682921 /nfs/dbraw/zinc/68/29/21/1066682921.db2.gz JHNFHDSFMPQGQE-UHFFFAOYSA-N 1 1 491.658 3.198 20 0 JGADMO COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@H]1CC[C@H](C)C1 ZINC001301757354 1066690305 /nfs/dbraw/zinc/69/03/05/1066690305.db2.gz LQKBPUCFMPGALV-KJJMTIBFSA-N 1 1 495.734 3.332 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001302200556 1066694084 /nfs/dbraw/zinc/69/40/84/1066694084.db2.gz ONYCZFKNERXSGE-OAQYLSRUSA-N 1 1 454.619 3.172 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(F)cccc2F)CC1 ZINC001302200354 1066694103 /nfs/dbraw/zinc/69/41/03/1066694103.db2.gz MWHPPQLKODWTIF-QGZVFWFLSA-N 1 1 481.613 3.012 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CC1 ZINC001302200325 1066694126 /nfs/dbraw/zinc/69/41/26/1066694126.db2.gz LPMBLQFLBOEUDS-OAQYLSRUSA-N 1 1 491.727 3.424 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CC1 ZINC001302200324 1066694205 /nfs/dbraw/zinc/69/42/05/1066694205.db2.gz LPMBLQFLBOEUDS-NRFANRHFSA-N 1 1 491.727 3.424 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001302200663 1066694776 /nfs/dbraw/zinc/69/47/76/1066694776.db2.gz QKBXZYORWJDZSP-MRXNPFEDSA-N 1 1 482.555 3.361 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)c(F)c3F)C[C@H]2C)CC1 ZINC001301762428 1066700552 /nfs/dbraw/zinc/70/05/52/1066700552.db2.gz ALPBYQRFBKOTJC-DYESRHJHSA-N 1 1 492.590 3.125 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CCc4ccccc4)n3CCSC(C)C)C[C@H]2C)CC1 ZINC001301762626 1066701267 /nfs/dbraw/zinc/70/12/67/1066701267.db2.gz CHBNWZWFJNDFQE-ZJSXRUAMSA-N 1 1 484.714 3.194 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CCc4ccccc4)n3CCSC(C)C)C[C@H]2C)CC1 ZINC001301762623 1066701438 /nfs/dbraw/zinc/70/14/38/1066701438.db2.gz CHBNWZWFJNDFQE-QPPBQGQZSA-N 1 1 484.714 3.194 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CCc4ccccc4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001301762962 1066702672 /nfs/dbraw/zinc/70/26/72/1066702672.db2.gz DVLYYGWOLSHHOI-RCZVLFRGSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3CC(C)C)C[C@@H]2C)CC1 ZINC001301763672 1066703621 /nfs/dbraw/zinc/70/36/21/1066703621.db2.gz GVWIIIKDCWQIJY-NNMXDRDESA-N 1 1 472.609 3.202 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301763729 1066703837 /nfs/dbraw/zinc/70/38/37/1066703837.db2.gz IJLUDQVYCDBQJD-HDICACEKSA-N 1 1 489.462 3.354 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CCC(C)C)C[C@H]2C)CC1 ZINC001301764108 1066704840 /nfs/dbraw/zinc/70/48/40/1066704840.db2.gz ILDSVOOMJVPSJK-OXQOHEQNSA-N 1 1 492.466 3.071 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)c3nc(C)cs3)C[C@H]2C)CC1 ZINC001301764675 1066705270 /nfs/dbraw/zinc/70/52/70/1066705270.db2.gz JUZWRHBNTWBKLR-DBXWQHBBSA-N 1 1 473.691 3.034 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3ccccc3)C[C@H]2C)CC1 ZINC001301765950 1066707383 /nfs/dbraw/zinc/70/73/83/1066707383.db2.gz NQCQWPCOKRYHCI-ZJSXRUAMSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(OC(F)F)c(F)c3)C[C@H]2C)CC1 ZINC001301766571 1066707821 /nfs/dbraw/zinc/70/78/21/1066707821.db2.gz OQRSAIVVFXRCNM-UZLBHIALSA-N 1 1 494.562 3.179 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCCO[C@H]3C(C)(C)C)C[C@H]2C)CC1 ZINC001301767163 1066709238 /nfs/dbraw/zinc/70/92/38/1066709238.db2.gz PMMDCBNKMLTBEH-JVICHNFNSA-N 1 1 488.721 3.307 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCSCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301767507 1066709732 /nfs/dbraw/zinc/70/97/32/1066709732.db2.gz QKEYWMOBAGWKKP-FUHWJXTLSA-N 1 1 490.640 3.151 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCCCCCO)C[C@@H]2C)CC1 ZINC001301767516 1066709882 /nfs/dbraw/zinc/70/98/82/1066709882.db2.gz QMAXGCZTHMJODG-CVDCTZTESA-N 1 1 489.064 3.140 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CCCc4ccccc4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301767606 1066710559 /nfs/dbraw/zinc/71/05/59/1066710559.db2.gz RDGKWDBHBDDOMK-OFNKIYASSA-N 1 1 488.627 3.488 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(F)c(C)c3)C[C@@H]2C)CC1 ZINC001301768161 1066711082 /nfs/dbraw/zinc/71/10/82/1066711082.db2.gz SWDJNRGTQKFHEY-AVRDEDQJSA-N 1 1 456.610 3.060 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)cc3)C[C@H]2C)CC1 ZINC001301768808 1066712517 /nfs/dbraw/zinc/71/25/17/1066712517.db2.gz YZYGUZCXQYVCMK-AUSIDOKSSA-N 1 1 470.637 3.237 20 0 JGADMO CC(C)(C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001302212272 1066713745 /nfs/dbraw/zinc/71/37/45/1066713745.db2.gz KNCXIZVAAKXOLZ-UHFFFAOYSA-N 1 1 479.604 3.496 20 0 JGADMO COCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001302220219 1066724331 /nfs/dbraw/zinc/72/43/31/1066724331.db2.gz MOTWNEDFBSFZDV-SJORKVTESA-N 1 1 494.434 3.052 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001301779102 1066727051 /nfs/dbraw/zinc/72/70/51/1066727051.db2.gz ZOAXVDFCFFGSHI-FQEVSTJZSA-N 1 1 460.623 3.091 20 0 JGADMO CC(C)(C)OC(=O)N1CC=C(Cn2c(N3CC[NH+](C[C@@H]4CCCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001302221420 1066727439 /nfs/dbraw/zinc/72/74/39/1066727439.db2.gz VJTGGXZQFIZIBL-NRFANRHFSA-N 1 1 488.677 3.444 20 0 JGADMO COCCN(Cc1ccco1)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001301788194 1066737635 /nfs/dbraw/zinc/73/76/35/1066737635.db2.gz FBLLPHDHWJSFCV-QFIPXVFZSA-N 1 1 490.402 3.020 20 0 JGADMO CC(=O)Nc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](CCOC(C)C)CC2)c1 ZINC001301796532 1066747815 /nfs/dbraw/zinc/74/78/15/1066747815.db2.gz WJNQYCNLEPIROJ-QHCPKHFHSA-N 1 1 470.618 3.073 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301807133 1066760021 /nfs/dbraw/zinc/76/00/21/1066760021.db2.gz FXHOJUJDUJLUGN-UHFFFAOYSA-N 1 1 466.630 3.311 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301808867 1066763590 /nfs/dbraw/zinc/76/35/90/1066763590.db2.gz RTDFXFFWQQPYDB-HMGIHFHHSA-N 1 1 460.667 3.320 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301808865 1066763659 /nfs/dbraw/zinc/76/36/59/1066763659.db2.gz RTDFXFFWQQPYDB-FEZPLFSRSA-N 1 1 460.667 3.320 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301812931 1066767654 /nfs/dbraw/zinc/76/76/54/1066767654.db2.gz IIZZRZPRZODDEB-SCZRWQTQSA-N 1 1 460.667 3.381 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001301817629 1066776483 /nfs/dbraw/zinc/77/64/83/1066776483.db2.gz FVISHZZONJZRQX-NRFANRHFSA-N 1 1 485.995 3.370 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302246561 1066777418 /nfs/dbraw/zinc/77/74/18/1066777418.db2.gz SDBHIMHYYMXPRO-GOSISDBHSA-N 1 1 488.608 3.298 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302246561 1066777428 /nfs/dbraw/zinc/77/74/28/1066777428.db2.gz SDBHIMHYYMXPRO-GOSISDBHSA-N 1 1 488.608 3.298 20 0 JGADMO COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001301818005 1066777510 /nfs/dbraw/zinc/77/75/10/1066777510.db2.gz GJHLBUADJVKHCL-HXUWFJFHSA-N 1 1 474.625 3.198 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001301819223 1066780073 /nfs/dbraw/zinc/78/00/73/1066780073.db2.gz SOJKJRPKVAFYIN-OAQYLSRUSA-N 1 1 454.550 3.223 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)cc2F)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302249451 1066783385 /nfs/dbraw/zinc/78/33/85/1066783385.db2.gz BYBRHXBAFCRXCC-KQZHTCIUSA-N 1 1 493.599 3.416 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccn2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302253441 1066793608 /nfs/dbraw/zinc/79/36/08/1066793608.db2.gz KDDQSMIUGLRXTL-GIWBLDEGSA-N 1 1 456.635 3.402 20 0 JGADMO CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302253783 1066794431 /nfs/dbraw/zinc/79/44/31/1066794431.db2.gz WLNJMTSWXFUARS-KRWDZBQOSA-N 1 1 486.608 3.253 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301829631 1066795345 /nfs/dbraw/zinc/79/53/45/1066795345.db2.gz PZEOEXRCJOZVAV-BJKOFHAPSA-N 1 1 452.647 3.289 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301830360 1066796550 /nfs/dbraw/zinc/79/65/50/1066796550.db2.gz ZSMCFUUHMKFUKV-OFNKIYASSA-N 1 1 482.032 3.325 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301831993 1066798230 /nfs/dbraw/zinc/79/82/30/1066798230.db2.gz IAJXCMWGSHAUED-WWPVKYPJSA-N 1 1 454.619 3.145 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cscn2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302257849 1066802583 /nfs/dbraw/zinc/80/25/83/1066802583.db2.gz FQOFRLBBWOYSOM-DYXWJJEUSA-N 1 1 462.664 3.463 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCC(F)F)n1CC[N@@H+]1CCc2sccc2C1 ZINC001302258343 1066803024 /nfs/dbraw/zinc/80/30/24/1066803024.db2.gz AGPAJSPAIWCHPZ-LPHOPBHVSA-N 1 1 455.575 3.213 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCC(F)F)n1CC[N@H+]1CCc2sccc2C1 ZINC001302258343 1066803029 /nfs/dbraw/zinc/80/30/29/1066803029.db2.gz AGPAJSPAIWCHPZ-LPHOPBHVSA-N 1 1 455.575 3.213 20 0 JGADMO COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301836583 1066806858 /nfs/dbraw/zinc/80/68/58/1066806858.db2.gz JVMSSZBEKVETTP-KDURUIRLSA-N 1 1 462.038 3.494 20 0 JGADMO COCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001301843049 1066813618 /nfs/dbraw/zinc/81/36/18/1066813618.db2.gz FXWAOUMFGVMRKU-BHIFYINESA-N 1 1 484.645 3.406 20 0 JGADMO COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301843076 1066814368 /nfs/dbraw/zinc/81/43/68/1066814368.db2.gz HEBVTHNLQHCJML-FQEVSTJZSA-N 1 1 462.639 3.451 20 0 JGADMO COCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301843852 1066815810 /nfs/dbraw/zinc/81/58/10/1066815810.db2.gz ZAZUIFFMNXZSFC-HDICACEKSA-N 1 1 450.628 3.006 20 0 JGADMO COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001301844797 1066817991 /nfs/dbraw/zinc/81/79/91/1066817991.db2.gz UUXDSMMAXMFJPY-QGZVFWFLSA-N 1 1 470.401 3.111 20 0 JGADMO CC(C)(C)OC(=O)NCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302265103 1066818718 /nfs/dbraw/zinc/81/87/18/1066818718.db2.gz MYMVCGIVDNMYPM-NRFANRHFSA-N 1 1 476.666 3.084 20 0 JGADMO CC(C)(C)OC(=O)NCCCn1c(C2CCCC2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001302265795 1066821300 /nfs/dbraw/zinc/82/13/00/1066821300.db2.gz WKOQKSMBWFERSJ-XMMPIXPASA-N 1 1 462.639 3.152 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001301847780 1066821938 /nfs/dbraw/zinc/82/19/38/1066821938.db2.gz SHYDPTABAQUOIX-UHFFFAOYSA-N 1 1 468.646 3.453 20 0 JGADMO CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001302267036 1066824917 /nfs/dbraw/zinc/82/49/17/1066824917.db2.gz XJOVURWORPJFSL-FQEVSTJZSA-N 1 1 490.674 3.471 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302268571 1066826489 /nfs/dbraw/zinc/82/64/89/1066826489.db2.gz CTXKQLCDAKYUBY-MLNNCEHLSA-N 1 1 463.667 3.375 20 0 JGADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCC3(O)CCN(c4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC001302270839 1066829124 /nfs/dbraw/zinc/82/91/24/1066829124.db2.gz WXLXOEICUODSMM-FGZHOGPDSA-N 1 1 451.611 3.447 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301854037 1066832832 /nfs/dbraw/zinc/83/28/32/1066832832.db2.gz SHESNIVIJGHDMV-AZUAARDMSA-N 1 1 474.053 3.466 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+](C)C(C)C)C1 ZINC001301860142 1066845465 /nfs/dbraw/zinc/84/54/65/1066845465.db2.gz ZBSCYKKEVZGFBS-QUCCMNQESA-N 1 1 460.598 3.250 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(I)cc1O ZINC001302280429 1066848612 /nfs/dbraw/zinc/84/86/12/1066848612.db2.gz DNNOKXUOMTYEQX-GDBMZVCRSA-N 1 1 450.320 3.495 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301862941 1066850271 /nfs/dbraw/zinc/85/02/71/1066850271.db2.gz DTJZXKVWCAWNMX-PUHATCMVSA-N 1 1 460.667 3.037 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC001302281716 1066850493 /nfs/dbraw/zinc/85/04/93/1066850493.db2.gz LQVFUBHAKOFQAV-ZBFHGGJFSA-N 1 1 450.402 3.125 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301866051 1066856652 /nfs/dbraw/zinc/85/66/52/1066856652.db2.gz JMPQUQMGDWIWEA-AOHZBQACSA-N 1 1 482.673 3.029 20 0 JGADMO CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001301866297 1066857427 /nfs/dbraw/zinc/85/74/27/1066857427.db2.gz BQMNKXIUMZRMPW-JGSPDANKSA-N 1 1 451.611 3.379 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301870729 1066862576 /nfs/dbraw/zinc/86/25/76/1066862576.db2.gz YSQBLNOYBVTOJV-YADHBBJMSA-N 1 1 470.637 3.481 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301872234 1066867653 /nfs/dbraw/zinc/86/76/53/1066867653.db2.gz LSSXAZQCSUUVSY-ONTIZHBOSA-N 1 1 486.636 3.469 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001302292105 1066871705 /nfs/dbraw/zinc/87/17/05/1066871705.db2.gz LWSGEDRETXTWOB-ONTIZHBOSA-N 1 1 477.650 3.046 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001301873447 1066872152 /nfs/dbraw/zinc/87/21/52/1066872152.db2.gz YVLDKQTZSWPHAS-IBGZPJMESA-N 1 1 452.647 3.375 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301874057 1066874271 /nfs/dbraw/zinc/87/42/71/1066874271.db2.gz FJEPYSCJPAIMLG-HSALFYBXSA-N 1 1 464.655 3.204 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001301875421 1066876438 /nfs/dbraw/zinc/87/64/38/1066876438.db2.gz QRRGLAOTOOHRMF-CYBMUJFWSA-N 1 1 463.936 3.012 20 0 JGADMO COCCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001301877187 1066878739 /nfs/dbraw/zinc/87/87/39/1066878739.db2.gz JZGAAVBOSZQXIM-VWPQPMDRSA-N 1 1 458.651 3.142 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001301876887 1066878882 /nfs/dbraw/zinc/87/88/82/1066878882.db2.gz IWEORVNPDQMIOI-IAGOWNOFSA-N 1 1 493.534 3.354 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001301876891 1066878951 /nfs/dbraw/zinc/87/89/51/1066878951.db2.gz IWEORVNPDQMIOI-SJORKVTESA-N 1 1 493.534 3.354 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCCCC2)C[C@@H]1C ZINC001301878195 1066880885 /nfs/dbraw/zinc/88/08/85/1066880885.db2.gz UFNUGQSUVDWUIA-VQTJNVASSA-N 1 1 475.609 3.409 20 0 JGADMO COCCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301878206 1066880970 /nfs/dbraw/zinc/88/09/70/1066880970.db2.gz ULCFCRGXLJGVKG-GGAORHGYSA-N 1 1 470.662 3.288 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCCCC2)C[C@@H]1C ZINC001301878193 1066881126 /nfs/dbraw/zinc/88/11/26/1066881126.db2.gz UFNUGQSUVDWUIA-PMACEKPBSA-N 1 1 475.609 3.409 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCCCC2)C[C@H]1C ZINC001301878194 1066881212 /nfs/dbraw/zinc/88/12/12/1066881212.db2.gz UFNUGQSUVDWUIA-UXHICEINSA-N 1 1 475.609 3.409 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2ccccc2)C[C@@H]1C ZINC001301878537 1066882337 /nfs/dbraw/zinc/88/23/37/1066882337.db2.gz XXMMVVJUOSAEIQ-UFPGJGBJSA-N 1 1 471.646 3.279 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001302298888 1066882830 /nfs/dbraw/zinc/88/28/30/1066882830.db2.gz IUQDFAMCJRNWDV-QFIPXVFZSA-N 1 1 470.662 3.285 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001301879360 1066883357 /nfs/dbraw/zinc/88/33/57/1066883357.db2.gz DCXJFMUIPKXPNP-UHFFFAOYSA-N 1 1 493.027 3.201 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001301879360 1066883366 /nfs/dbraw/zinc/88/33/66/1066883366.db2.gz DCXJFMUIPKXPNP-UHFFFAOYSA-N 1 1 493.027 3.201 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301880207 1066885567 /nfs/dbraw/zinc/88/55/67/1066885567.db2.gz QNFLPAODSLIWES-KDURUIRLSA-N 1 1 472.634 3.087 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301880813 1066886593 /nfs/dbraw/zinc/88/65/93/1066886593.db2.gz VGZZOFOQLYODGV-UHFFFAOYSA-N 1 1 475.037 3.062 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301880813 1066886601 /nfs/dbraw/zinc/88/66/01/1066886601.db2.gz VGZZOFOQLYODGV-UHFFFAOYSA-N 1 1 475.037 3.062 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001301880909 1066887290 /nfs/dbraw/zinc/88/72/90/1066887290.db2.gz AFPJLYSYSBCJLM-LJQANCHMSA-N 1 1 478.037 3.341 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CCOC)CC2)C[C@@H]1C ZINC001301881638 1066888255 /nfs/dbraw/zinc/88/82/55/1066888255.db2.gz GSPUVBDEUNDUJE-INIZCTEOSA-N 1 1 481.439 3.009 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC(C)C)C[C@H]1C ZINC001301881666 1066888295 /nfs/dbraw/zinc/88/82/95/1066888295.db2.gz GZRQBUWOKDPMBD-MRXNPFEDSA-N 1 1 469.428 3.008 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001301881362 1066888573 /nfs/dbraw/zinc/88/85/73/1066888573.db2.gz DVUMOKIYUSUQRC-UHFFFAOYSA-N 1 1 475.037 3.206 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001301882085 1066889687 /nfs/dbraw/zinc/88/96/87/1066889687.db2.gz LRSKRUNQARSPEK-UHFFFAOYSA-N 1 1 475.037 3.160 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)CCC(C)C)CC1 ZINC001301882678 1066890565 /nfs/dbraw/zinc/89/05/65/1066890565.db2.gz RWEVMIQGSORIEN-JOCHJYFZSA-N 1 1 497.482 3.002 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2OCCC2(C)C)C[C@@H]1C ZINC001301883002 1066890933 /nfs/dbraw/zinc/89/09/33/1066890933.db2.gz UDRSTYCNDWRORQ-QFBILLFUSA-N 1 1 495.466 3.018 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301883689 1066892392 /nfs/dbraw/zinc/89/23/92/1066892392.db2.gz ZUURNPSETZHVAI-IBGZPJMESA-N 1 1 491.478 3.208 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OC(C)C)nc2)C[C@H]1C ZINC001301884398 1066892889 /nfs/dbraw/zinc/89/28/89/1066892889.db2.gz BGFBHCDKZCGXGZ-HXUWFJFHSA-N 1 1 480.613 3.341 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2sc(C)nc2C)C[C@H]1C ZINC001301884875 1066893473 /nfs/dbraw/zinc/89/34/73/1066893473.db2.gz FGDXSSAQBHWDOO-QGZVFWFLSA-N 1 1 470.643 3.427 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001301885918 1066895514 /nfs/dbraw/zinc/89/55/14/1066895514.db2.gz BAZDRQQALUNCIE-UHFFFAOYSA-N 1 1 458.626 3.490 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001301886304 1066896690 /nfs/dbraw/zinc/89/66/90/1066896690.db2.gz VAQXEMIBICIPME-MRXNPFEDSA-N 1 1 484.464 3.353 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001301886302 1066896756 /nfs/dbraw/zinc/89/67/56/1066896756.db2.gz VAQXEMIBICIPME-INIZCTEOSA-N 1 1 484.464 3.353 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCOc2ccc(Cl)cn2)C[C@@H]1C ZINC001301886724 1066898562 /nfs/dbraw/zinc/89/85/62/1066898562.db2.gz ZSVBBKGUVLUMHX-SFHVURJKSA-N 1 1 487.004 3.238 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301886951 1066899037 /nfs/dbraw/zinc/89/90/37/1066899037.db2.gz NFZURYBVRGMLCS-NZQKXSOJSA-N 1 1 460.667 3.384 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301887037 1066899100 /nfs/dbraw/zinc/89/91/00/1066899100.db2.gz GKVQCLNFDAZMNT-KRWDZBQOSA-N 1 1 495.441 3.099 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2nnc(C)s2)C[C@H]1C ZINC001301886978 1066899109 /nfs/dbraw/zinc/89/91/09/1066899109.db2.gz FKRUZTUUFCVNFV-CQSZACIVSA-N 1 1 480.013 3.297 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001301887017 1066899157 /nfs/dbraw/zinc/89/91/57/1066899157.db2.gz FYSDCMNKRURJNC-JKSUJKDBSA-N 1 1 455.434 3.359 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2=CCCOC2)C[C@@H]1C ZINC001301887243 1066900179 /nfs/dbraw/zinc/90/01/79/1066900179.db2.gz GOWNQFIKXVOKLQ-KRWDZBQOSA-N 1 1 461.994 3.111 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@](C)(O)C(C)C ZINC001302309006 1066901007 /nfs/dbraw/zinc/90/10/07/1066901007.db2.gz QPIFNRMOZGDDOZ-RSKVWTTASA-N 1 1 477.675 3.354 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001301888188 1066902949 /nfs/dbraw/zinc/90/29/49/1066902949.db2.gz NVAFHORCHJJNPV-KRWDZBQOSA-N 1 1 451.040 3.294 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC(F)(F)F ZINC001302310455 1066903595 /nfs/dbraw/zinc/90/35/95/1066903595.db2.gz AYFJAWONRGXLIV-NEWSRXKRSA-N 1 1 453.509 3.275 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)c(OC)c2)CC1 ZINC001301888540 1066904511 /nfs/dbraw/zinc/90/45/11/1066904511.db2.gz RLDGMBOIAVCFMD-UHFFFAOYSA-N 1 1 456.978 3.127 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301888784 1066904830 /nfs/dbraw/zinc/90/48/30/1066904830.db2.gz PHIGIMWNLZFYPZ-OFNKIYASSA-N 1 1 491.080 3.112 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301888784 1066904841 /nfs/dbraw/zinc/90/48/41/1066904841.db2.gz PHIGIMWNLZFYPZ-OFNKIYASSA-N 1 1 491.080 3.112 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001302311339 1066905303 /nfs/dbraw/zinc/90/53/03/1066905303.db2.gz HVLZJHVYLIRURP-BURNTYAHSA-N 1 1 481.707 3.081 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](SC)C(C)(C)C ZINC001302311701 1066905888 /nfs/dbraw/zinc/90/58/88/1066905888.db2.gz PABYYYPBWDINPJ-NMLBUPMWSA-N 1 1 451.681 3.454 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001301889799 1066908659 /nfs/dbraw/zinc/90/86/59/1066908659.db2.gz CMCMYQRNQRVWAQ-UHFFFAOYSA-N 1 1 495.628 3.129 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001301891556 1066912150 /nfs/dbraw/zinc/91/21/50/1066912150.db2.gz QAQQFIDENCTNIL-GOSISDBHSA-N 1 1 494.587 3.262 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001301892659 1066913634 /nfs/dbraw/zinc/91/36/34/1066913634.db2.gz UTJCODVYVGGFJO-IBGZPJMESA-N 1 1 472.634 3.405 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 ZINC001301895608 1066915938 /nfs/dbraw/zinc/91/59/38/1066915938.db2.gz GSRWOOTYIGHGRU-UHFFFAOYSA-N 1 1 490.530 3.236 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC001301895726 1066916480 /nfs/dbraw/zinc/91/64/80/1066916480.db2.gz HNHUFNSIJUQEHL-OAQYLSRUSA-N 1 1 456.978 3.150 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301896015 1066918294 /nfs/dbraw/zinc/91/82/94/1066918294.db2.gz CGPYKAKPBVUVOW-PMACEKPBSA-N 1 1 461.054 3.487 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001301896213 1066918973 /nfs/dbraw/zinc/91/89/73/1066918973.db2.gz GAKYGVZUDDSTCC-SFHVURJKSA-N 1 1 463.623 3.153 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001301896528 1066920184 /nfs/dbraw/zinc/92/01/84/1066920184.db2.gz UAGUDSKOAPVVJP-HXUWFJFHSA-N 1 1 452.603 3.000 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2csc([C@@H](C)OC)n2)C[C@H]1C ZINC001301896652 1066920289 /nfs/dbraw/zinc/92/02/89/1066920289.db2.gz NTDZREZCAUKMIC-IAGOWNOFSA-N 1 1 474.606 3.453 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2CC(F)(F)C2(OC)CCOCC2)C[C@H]1C ZINC001301896871 1066920561 /nfs/dbraw/zinc/92/05/61/1066920561.db2.gz QCXRCNZTYCEUFN-HXUWFJFHSA-N 1 1 493.599 3.241 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC001301896745 1066920837 /nfs/dbraw/zinc/92/08/37/1066920837.db2.gz YDNMYMGYUDGYKB-QGZVFWFLSA-N 1 1 478.519 3.387 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001301899374 1066924211 /nfs/dbraw/zinc/92/42/11/1066924211.db2.gz DOSKPPYSUWGIPO-UHFFFAOYSA-N 1 1 490.530 3.406 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CCCOC(F)(F)F)CC1 ZINC001301899956 1066924521 /nfs/dbraw/zinc/92/45/21/1066924521.db2.gz JDYDGWOTXREICD-UHFFFAOYSA-N 1 1 452.481 3.121 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(COC)c2)C[C@@H]1C ZINC001301899896 1066924902 /nfs/dbraw/zinc/92/49/02/1066924902.db2.gz HNDSCNLLPBWEIG-FQEVSTJZSA-N 1 1 450.587 3.000 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001301900640 1066925787 /nfs/dbraw/zinc/92/57/87/1066925787.db2.gz AWKPGNPKGGETJC-RTWAWAEBSA-N 1 1 489.064 3.308 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC001301906396 1066930777 /nfs/dbraw/zinc/93/07/77/1066930777.db2.gz BTFPDWBMAKIQAW-HNNXBMFYSA-N 1 1 453.509 3.491 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001301907482 1066931771 /nfs/dbraw/zinc/93/17/71/1066931771.db2.gz NLXUGMOWJFDZQE-LAUBAEHRSA-N 1 1 462.589 3.284 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001301908128 1066932124 /nfs/dbraw/zinc/93/21/24/1066932124.db2.gz UUTSCSOKJJLCDS-ZDUSSCGKSA-N 1 1 475.947 3.157 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001301908130 1066932263 /nfs/dbraw/zinc/93/22/63/1066932263.db2.gz UVFIMFDOLYKHAN-HXUWFJFHSA-N 1 1 464.655 3.253 20 0 JGADMO CON(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001302333069 1066932307 /nfs/dbraw/zinc/93/23/07/1066932307.db2.gz KHDXOOUNEOAIEV-KRWDZBQOSA-N 1 1 463.652 3.199 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001302334235 1066933075 /nfs/dbraw/zinc/93/30/75/1066933075.db2.gz CTCLYWPMTJYKEQ-ONTKHRELSA-N 1 1 465.708 3.276 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCCN1CCOCC1 ZINC001302334197 1066933152 /nfs/dbraw/zinc/93/31/52/1066933152.db2.gz AZIPHMMQGPVMNZ-FGZHOGPDSA-N 1 1 476.710 3.230 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCSCc2ccccc2F)C[C@H]1C ZINC001301910449 1066934583 /nfs/dbraw/zinc/93/45/83/1066934583.db2.gz CHTWTUXQZYNQBS-UXHICEINSA-N 1 1 477.650 3.402 20 0 JGADMO CC(C)(Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001302335942 1066935571 /nfs/dbraw/zinc/93/55/71/1066935571.db2.gz FJJIKEYSHOBOCQ-UHFFFAOYSA-N 1 1 468.980 3.096 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001301911149 1066935727 /nfs/dbraw/zinc/93/57/27/1066935727.db2.gz HGFCLGKKMQHEGW-WIOPSUGQSA-N 1 1 498.672 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)C[C@H]1C ZINC001301910840 1066935937 /nfs/dbraw/zinc/93/59/37/1066935937.db2.gz JDGHSKNBQKVUHB-LJQANCHMSA-N 1 1 455.582 3.007 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301911197 1066936897 /nfs/dbraw/zinc/93/68/97/1066936897.db2.gz HWTPNGHAXIYTRX-ZFGGDYGUSA-N 1 1 474.694 3.110 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nccs2)C[C@@H]1C ZINC001301911481 1066936966 /nfs/dbraw/zinc/93/69/66/1066936966.db2.gz MZUDQQUFSWJOIQ-INIZCTEOSA-N 1 1 462.570 3.003 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cc(C)ccc2OC)C[C@H]1C ZINC001301911618 1066937335 /nfs/dbraw/zinc/93/73/35/1066937335.db2.gz IEDQHIVKSYMEQJ-OFNKIYASSA-N 1 1 457.619 3.236 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301911875 1066937930 /nfs/dbraw/zinc/93/79/30/1066937930.db2.gz NMWJLZMRSBZFRO-PMACEKPBSA-N 1 1 478.682 3.423 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001301911969 1066938535 /nfs/dbraw/zinc/93/85/35/1066938535.db2.gz JABYNOZOBJLWHK-PMOQBDJRSA-N 1 1 474.625 3.119 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCOc2ccc(F)cc2)C[C@H]1C ZINC001301912612 1066939300 /nfs/dbraw/zinc/93/93/00/1066939300.db2.gz LIFHUOACPPMQIV-DENIHFKCSA-N 1 1 461.582 3.285 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2c(F)cccc2N2CCCC2)C[C@@H]1C ZINC001301912477 1066939332 /nfs/dbraw/zinc/93/93/32/1066939332.db2.gz RQVBVNGVRFNYAL-FQEVSTJZSA-N 1 1 458.626 3.421 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001301912582 1066939462 /nfs/dbraw/zinc/93/94/62/1066939462.db2.gz KTXNMJGUUZTWKY-MZYLBHOOSA-N 1 1 462.683 3.187 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001301912657 1066939845 /nfs/dbraw/zinc/93/98/45/1066939845.db2.gz LWUOMWLZSZUISV-PXNSSMCTSA-N 1 1 482.551 3.333 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001301913652 1066942563 /nfs/dbraw/zinc/94/25/63/1066942563.db2.gz WPCMMMIASZPCKP-KRWDZBQOSA-N 1 1 470.540 3.018 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cc(Br)ccc2F)CC1 ZINC001301915111 1066944834 /nfs/dbraw/zinc/94/48/34/1066944834.db2.gz SBXYLJDHJVTWAJ-SFHVURJKSA-N 1 1 496.425 3.085 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001301915638 1066945941 /nfs/dbraw/zinc/94/59/41/1066945941.db2.gz SXNSFECPSASIKI-XPNTWCBSSA-N 1 1 457.619 3.453 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N(C)c2ccccc2)C[C@H]1C ZINC001301915778 1066946051 /nfs/dbraw/zinc/94/60/51/1066946051.db2.gz VDWIVSBYMGJRNN-XJUOHMSHSA-N 1 1 456.635 3.202 20 0 JGADMO CC(=O)NCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301916369 1066946534 /nfs/dbraw/zinc/94/65/34/1066946534.db2.gz KQXYQSOWVDHZSG-IYBDPMFKSA-N 1 1 483.444 3.324 20 0 JGADMO CC(=O)NCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301916369 1066946545 /nfs/dbraw/zinc/94/65/45/1066946545.db2.gz KQXYQSOWVDHZSG-IYBDPMFKSA-N 1 1 483.444 3.324 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001301918285 1066947881 /nfs/dbraw/zinc/94/78/81/1066947881.db2.gz GSEUYRJMALHIIG-UHFFFAOYSA-N 1 1 460.504 3.099 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2cccc(C)c2)C[C@H]1C ZINC001301918347 1066948462 /nfs/dbraw/zinc/94/84/62/1066948462.db2.gz IJUBIOUGOXRTSL-YADHBBJMSA-N 1 1 464.614 3.197 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCc2cccc(C)n2)C[C@H]1C ZINC001301919164 1066950066 /nfs/dbraw/zinc/95/00/66/1066950066.db2.gz FKGJDUHYKQPAMC-HXUWFJFHSA-N 1 1 452.578 3.111 20 0 JGADMO CC(C)(O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302359499 1066950655 /nfs/dbraw/zinc/95/06/55/1066950655.db2.gz GBDPXGGEFIWVSC-OAQYLSRUSA-N 1 1 485.673 3.474 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC001301919655 1066952338 /nfs/dbraw/zinc/95/23/38/1066952338.db2.gz SHVGXSXJUBPSOD-SFHVURJKSA-N 1 1 456.541 3.407 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301920005 1066952850 /nfs/dbraw/zinc/95/28/50/1066952850.db2.gz LTVJSUMOAHQHAT-OFNKIYASSA-N 1 1 472.653 3.285 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301920005 1066952857 /nfs/dbraw/zinc/95/28/57/1066952857.db2.gz LTVJSUMOAHQHAT-OFNKIYASSA-N 1 1 472.653 3.285 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C[C@@H]1C ZINC001301919822 1066953063 /nfs/dbraw/zinc/95/30/63/1066953063.db2.gz VJGSBAYVZKFWDM-SSPYTLHUSA-N 1 1 470.662 3.262 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(C)(C)O)c2)C[C@@H]1C ZINC001301920693 1066953537 /nfs/dbraw/zinc/95/35/37/1066953537.db2.gz ZOVNYCFCURLIJJ-SFHVURJKSA-N 1 1 484.670 3.066 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(F)ccc2SC)C[C@@H]1C ZINC001301921198 1066954466 /nfs/dbraw/zinc/95/44/66/1066954466.db2.gz REIBJTRQIAEHPS-SFHVURJKSA-N 1 1 470.618 3.330 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001301921543 1066955143 /nfs/dbraw/zinc/95/51/43/1066955143.db2.gz SSUPHKABHFWOQW-QFIPXVFZSA-N 1 1 482.673 3.125 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001302366559 1066955971 /nfs/dbraw/zinc/95/59/71/1066955971.db2.gz AGAODOBKQNPZFI-QGZVFWFLSA-N 1 1 497.507 3.268 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001302366849 1066956399 /nfs/dbraw/zinc/95/63/99/1066956399.db2.gz UTAQQEAWXRGDFH-WMZHIEFXSA-N 1 1 474.625 3.056 20 0 JGADMO CO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001302367176 1066956524 /nfs/dbraw/zinc/95/65/24/1066956524.db2.gz VQLREWIMIOHBBP-OAQYLSRUSA-N 1 1 454.619 3.494 20 0 JGADMO CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001301923983 1066957978 /nfs/dbraw/zinc/95/79/78/1066957978.db2.gz QCUFBIHOWDMVMK-NZQKXSOJSA-N 1 1 454.619 3.147 20 0 JGADMO CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001301925006 1066958489 /nfs/dbraw/zinc/95/84/89/1066958489.db2.gz WQMOZHMMUORIQF-DHIUTWEWSA-N 1 1 454.619 3.004 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001301926207 1066959590 /nfs/dbraw/zinc/95/95/90/1066959590.db2.gz BITPUOKAUJGWQN-RTBURBONSA-N 1 1 469.556 3.202 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001301926471 1066959954 /nfs/dbraw/zinc/95/99/54/1066959954.db2.gz GBDXOPBKPGJIKU-FQEVSTJZSA-N 1 1 463.573 3.494 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@](C)(O)c2cccs2)C[C@H]1C ZINC001301926506 1066960089 /nfs/dbraw/zinc/96/00/89/1066960089.db2.gz GLKCCUJRTZFECY-NLFFAJNJSA-N 1 1 469.655 3.189 20 0 JGADMO CO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302375656 1066961021 /nfs/dbraw/zinc/96/10/21/1066961021.db2.gz IAENMXUXTLCSAG-TZIWHRDSSA-N 1 1 476.666 3.350 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCSC2)CC1 ZINC001301927252 1066961269 /nfs/dbraw/zinc/96/12/69/1066961269.db2.gz AIFXNVAQVXPLJZ-OAQYLSRUSA-N 1 1 459.660 3.386 20 0 JGADMO COCCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001301927772 1066964024 /nfs/dbraw/zinc/96/40/24/1066964024.db2.gz NNKQFPSYPIYHPJ-HSZRJFAPSA-N 1 1 470.662 3.117 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001301927860 1066964459 /nfs/dbraw/zinc/96/44/59/1066964459.db2.gz OSNIEQDGWZYCMB-DHLKQENFSA-N 1 1 471.646 3.303 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928915 1066966221 /nfs/dbraw/zinc/96/62/21/1066966221.db2.gz YDJKPHBRWWMKRX-UPVQGACJSA-N 1 1 484.689 3.443 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928915 1066966227 /nfs/dbraw/zinc/96/62/27/1066966227.db2.gz YDJKPHBRWWMKRX-UPVQGACJSA-N 1 1 484.689 3.443 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301929123 1066966511 /nfs/dbraw/zinc/96/65/11/1066966511.db2.gz CYQAPPKGCCGPDV-NZQKXSOJSA-N 1 1 460.667 3.179 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cnn(C)c2C)CC1 ZINC001301929305 1066966965 /nfs/dbraw/zinc/96/69/65/1066966965.db2.gz ZMOHANAYRQAWBJ-UHFFFAOYSA-N 1 1 481.645 3.013 20 0 JGADMO CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001301929987 1066967525 /nfs/dbraw/zinc/96/75/25/1066967525.db2.gz RFSQTLMSYJYXFB-UHFFFAOYSA-N 1 1 470.618 3.308 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(OC)cc2)CC1 ZINC001301931152 1066968402 /nfs/dbraw/zinc/96/84/02/1066968402.db2.gz BPANEIVURWMFSA-DHIUTWEWSA-N 1 1 471.646 3.216 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cc(C)no2)C[C@H]1C ZINC001301931099 1066968463 /nfs/dbraw/zinc/96/84/63/1066968463.db2.gz AVTLEDUIUZFGKI-LJQANCHMSA-N 1 1 456.616 3.380 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nc(C)c(C)s2)C[C@H]1C ZINC001301931129 1066968636 /nfs/dbraw/zinc/96/86/36/1066968636.db2.gz BHNJMKURVQUKLG-QGZVFWFLSA-N 1 1 486.642 3.144 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(F)F)c2)C[C@H]1C ZINC001301931278 1066969007 /nfs/dbraw/zinc/96/90/07/1066969007.db2.gz PYIJNCXAWJTGTQ-QMMLZNLJSA-N 1 1 479.572 3.145 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001301931322 1066969130 /nfs/dbraw/zinc/96/91/30/1066969130.db2.gz RCBOERWNLODVDY-MUGJNUQGSA-N 1 1 489.583 3.139 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2nccs2)C[C@@H]1C ZINC001301931549 1066969393 /nfs/dbraw/zinc/96/93/93/1066969393.db2.gz DFJCUBKXRQOLPC-ROUUACIJSA-N 1 1 474.606 3.413 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001301933489 1066972404 /nfs/dbraw/zinc/97/24/04/1066972404.db2.gz NWZOPKDQPZTRSU-MXEMCNAFSA-N 1 1 475.609 3.357 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001301933488 1066972782 /nfs/dbraw/zinc/97/27/82/1066972782.db2.gz NWZOPKDQPZTRSU-BURNTYAHSA-N 1 1 475.609 3.357 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001301933531 1066973357 /nfs/dbraw/zinc/97/33/57/1066973357.db2.gz OXAXQDNHWCLRHG-RTBURBONSA-N 1 1 479.572 3.458 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)cc2)C[C@@H]1C ZINC001301933717 1066973890 /nfs/dbraw/zinc/97/38/90/1066973890.db2.gz RBBQWMVRIBROEO-WWPVKYPJSA-N 1 1 471.646 3.411 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)OC)CC1 ZINC001301933946 1066973932 /nfs/dbraw/zinc/97/39/32/1066973932.db2.gz RXHQAHVFPPCBHG-UHFFFAOYSA-N 1 1 454.040 3.417 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001301933988 1066974395 /nfs/dbraw/zinc/97/43/95/1066974395.db2.gz STIOBKGGLHMGPW-KRWDZBQOSA-N 1 1 474.606 3.333 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001301937240 1066980287 /nfs/dbraw/zinc/98/02/87/1066980287.db2.gz KJFHKPJYWURXCS-JRFVFWCSSA-N 1 1 482.673 3.434 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C3CCC3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001301938367 1066982459 /nfs/dbraw/zinc/98/24/59/1066982459.db2.gz BPQCPMIWBFCPMX-KCZVDYSFSA-N 1 1 460.667 3.178 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C3CCC3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001301938370 1066982587 /nfs/dbraw/zinc/98/25/87/1066982587.db2.gz BPQCPMIWBFCPMX-TUNNFDKTSA-N 1 1 460.667 3.178 20 0 JGADMO CO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302402693 1066982842 /nfs/dbraw/zinc/98/28/42/1066982842.db2.gz SWKMBXBJFNTPRT-MOPGFXCFSA-N 1 1 460.648 3.007 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1OC ZINC001302410761 1066994956 /nfs/dbraw/zinc/99/49/56/1066994956.db2.gz TZTYTKDKGZTZMD-AJSBUHFISA-N 1 1 450.587 3.101 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1OC ZINC001302426072 1067011248 /nfs/dbraw/zinc/01/12/48/1067011248.db2.gz UBLXAFAYTNQFGR-SPZHGEQOSA-N 1 1 463.667 3.167 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001303958768 1067013382 /nfs/dbraw/zinc/01/33/82/1067013382.db2.gz HTJAJVDRMCORTC-CQSZACIVSA-N 1 1 481.464 3.203 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001302430548 1067016812 /nfs/dbraw/zinc/01/68/12/1067016812.db2.gz BNJYCPNMNTZYEM-JOCHJYFZSA-N 1 1 454.619 3.003 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302431315 1067019104 /nfs/dbraw/zinc/01/91/04/1067019104.db2.gz ITCPVXOSKSNEBU-RTBURBONSA-N 1 1 474.053 3.466 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 ZINC001303979542 1067027313 /nfs/dbraw/zinc/02/73/13/1067027313.db2.gz JPHKCBQHZIQFOC-UHFFFAOYSA-N 1 1 472.653 3.429 20 0 JGADMO CC1(C)C[N@H+](CCn2c(COc3ccc(Br)cc3)nnc2N2CCCC2)CCO1 ZINC001303980204 1067027779 /nfs/dbraw/zinc/02/77/79/1067027779.db2.gz SLCMUIMFFYZZQY-UHFFFAOYSA-N 1 1 464.408 3.331 20 0 JGADMO CC1(C)C[N@@H+](CCn2c(COc3ccc(Br)cc3)nnc2N2CCCC2)CCO1 ZINC001303980204 1067027794 /nfs/dbraw/zinc/02/77/94/1067027794.db2.gz SLCMUIMFFYZZQY-UHFFFAOYSA-N 1 1 464.408 3.331 20 0 JGADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCCO)C1 ZINC001303997131 1067038994 /nfs/dbraw/zinc/03/89/94/1067038994.db2.gz JDYSVHLLVCUJOY-QFIPXVFZSA-N 1 1 496.425 3.310 20 0 JGADMO CC(C)C(=O)NCCCn1c(-c2cccnc2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001302446222 1067045002 /nfs/dbraw/zinc/04/50/02/1067045002.db2.gz NBLSZCMYKFHVEX-QHCPKHFHSA-N 1 1 461.614 3.213 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001304011726 1067054812 /nfs/dbraw/zinc/05/48/12/1067054812.db2.gz XZTJATZYQIZVIS-UHFFFAOYSA-N 1 1 477.613 3.143 20 0 JGADMO CS(=O)(=O)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001302456294 1067057905 /nfs/dbraw/zinc/05/79/05/1067057905.db2.gz PRRCGTMKVCWYMH-UHFFFAOYSA-N 1 1 466.051 3.488 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC001304017235 1067060702 /nfs/dbraw/zinc/06/07/02/1067060702.db2.gz DGAKHOKGZMAEDK-DYESRHJHSA-N 1 1 455.525 3.490 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001304020308 1067064276 /nfs/dbraw/zinc/06/42/76/1067064276.db2.gz SQRFKFIIALMMNH-IRFCIJBXSA-N 1 1 454.619 3.186 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304021211 1067065406 /nfs/dbraw/zinc/06/54/06/1067065406.db2.gz RGZHXYOFLRBYCB-VHFRWLAGSA-N 1 1 498.672 3.093 20 0 JGADMO CS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001302465877 1067069249 /nfs/dbraw/zinc/06/92/49/1067069249.db2.gz FXAITAMBKSIBPL-UHFFFAOYSA-N 1 1 470.014 3.237 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001304026378 1067073640 /nfs/dbraw/zinc/07/36/40/1067073640.db2.gz RUSWCSHIBLYOBU-NHCUHLMSSA-N 1 1 477.675 3.389 20 0 JGADMO CC(C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001302470668 1067074673 /nfs/dbraw/zinc/07/46/73/1067074673.db2.gz PBTUUXSIBQAORN-HSZRJFAPSA-N 1 1 484.645 3.119 20 0 JGADMO CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001302470669 1067074868 /nfs/dbraw/zinc/07/48/68/1067074868.db2.gz USDCLBQGBVLWST-GOTSBHOMSA-N 1 1 468.646 3.393 20 0 JGADMO CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001302471178 1067075143 /nfs/dbraw/zinc/07/51/43/1067075143.db2.gz VPNHGKUOPOBLSV-AZUAARDMSA-N 1 1 460.648 3.237 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)c1C ZINC001304029198 1067077077 /nfs/dbraw/zinc/07/70/77/1067077077.db2.gz KGFSFCDJWBLJEX-TZIWHRDSSA-N 1 1 454.619 3.236 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001304029197 1067077207 /nfs/dbraw/zinc/07/72/07/1067077207.db2.gz KGFSFCDJWBLJEX-PZJWPPBQSA-N 1 1 454.619 3.236 20 0 JGADMO CC1=C(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001304029785 1067077755 /nfs/dbraw/zinc/07/77/55/1067077755.db2.gz YDDPMUHQOPWPEW-PMACEKPBSA-N 1 1 452.669 3.089 20 0 JGADMO CC1=C(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001304029788 1067077871 /nfs/dbraw/zinc/07/78/71/1067077871.db2.gz YDDPMUHQOPWPEW-VQTJNVASSA-N 1 1 452.669 3.089 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCN4CCCC[C@@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030152 1067078391 /nfs/dbraw/zinc/07/83/91/1067078391.db2.gz NLFXJBRDTSSMTA-DHIUTWEWSA-N 1 1 470.662 3.288 20 0 JGADMO CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001302477408 1067078734 /nfs/dbraw/zinc/07/87/34/1067078734.db2.gz APGNLOBKSZQURE-YMPZKCBVSA-N 1 1 468.646 3.391 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCNC(=O)C(C)C)c1C ZINC001304031696 1067080481 /nfs/dbraw/zinc/08/04/81/1067080481.db2.gz WXBFAMRELIKGCD-PKTZIBPZSA-N 1 1 498.672 3.108 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCOCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304031990 1067080734 /nfs/dbraw/zinc/08/07/34/1067080734.db2.gz YTXXMFQXDREFJT-YADHBBJMSA-N 1 1 457.619 3.228 20 0 JGADMO Cc1nc(CN2CCN(c3nnc(C(C)C)n3CC[N@@H+](C)Cc3ccccc3)CC2)oc1C ZINC001304042044 1067085122 /nfs/dbraw/zinc/08/51/22/1067085122.db2.gz QLIGGAHGCYOTRK-UHFFFAOYSA-N 1 1 451.619 3.461 20 0 JGADMO Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCC[C@H]3C)C2)sc1C ZINC001304045433 1067087920 /nfs/dbraw/zinc/08/79/20/1067087920.db2.gz PQVKQYSPPUZADG-VQIMIIECSA-N 1 1 459.664 3.358 20 0 JGADMO Cc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)sc1C ZINC001304046237 1067089130 /nfs/dbraw/zinc/08/91/30/1067089130.db2.gz PCSDQUCJGBEKSX-LJQANCHMSA-N 1 1 459.664 3.102 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCOC(C)(C)C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001304057544 1067098536 /nfs/dbraw/zinc/09/85/36/1067098536.db2.gz UQGABOMGDWVYMO-KRWDZBQOSA-N 1 1 491.706 3.281 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nnc1C(C)(C)C ZINC001302503598 1067103688 /nfs/dbraw/zinc/10/36/88/1067103688.db2.gz NKIRELLRTRKWQB-RUZDIDTESA-N 1 1 457.619 3.076 20 0 JGADMO Cc1n[nH]cc1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304065621 1067110664 /nfs/dbraw/zinc/11/06/64/1067110664.db2.gz NLJHNAAAGUHWSI-DHIUTWEWSA-N 1 1 487.693 3.408 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001302509843 1067116657 /nfs/dbraw/zinc/11/66/57/1067116657.db2.gz HRAYSIFYPQNDMA-OAQYLSRUSA-N 1 1 489.753 3.270 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001302509843 1067116658 /nfs/dbraw/zinc/11/66/58/1067116658.db2.gz HRAYSIFYPQNDMA-OAQYLSRUSA-N 1 1 489.753 3.270 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001302509843 1067116659 /nfs/dbraw/zinc/11/66/59/1067116659.db2.gz HRAYSIFYPQNDMA-OAQYLSRUSA-N 1 1 489.753 3.270 20 0 JGADMO Cc1ncsc1CCn1c(Cc2ccsc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304072951 1067117403 /nfs/dbraw/zinc/11/74/03/1067117403.db2.gz CPSBLFYQRSITIY-UHFFFAOYSA-N 1 1 460.673 3.485 20 0 JGADMO C[S@@](=O)C1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001302510674 1067118785 /nfs/dbraw/zinc/11/87/85/1067118785.db2.gz HSXKQMBFOUTVPO-USXNREEHSA-N 1 1 494.706 3.182 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001302511116 1067120433 /nfs/dbraw/zinc/12/04/33/1067120433.db2.gz QLLARXYHNPEJAX-FQEVSTJZSA-N 1 1 476.710 3.355 20 0 JGADMO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC001304077621 1067122237 /nfs/dbraw/zinc/12/22/37/1067122237.db2.gz GWBPVGRPDVEZJE-UZINWLIJSA-N 1 1 487.693 3.365 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C(C)C)[NH+]1CCOCC1 ZINC001302514680 1067131290 /nfs/dbraw/zinc/13/12/90/1067131290.db2.gz FIDPXOJUPRQSAS-FGZHOGPDSA-N 1 1 472.609 3.140 20 0 JGADMO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)c1cccnc1 ZINC001302516609 1067135640 /nfs/dbraw/zinc/13/56/40/1067135640.db2.gz WAZOGRRKOUVVQS-QFIPXVFZSA-N 1 1 466.634 3.060 20 0 JGADMO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)c1cccnc1 ZINC001302516609 1067135645 /nfs/dbraw/zinc/13/56/45/1067135645.db2.gz WAZOGRRKOUVVQS-QFIPXVFZSA-N 1 1 466.634 3.060 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302523939 1067145184 /nfs/dbraw/zinc/14/51/84/1067145184.db2.gz MGDROEXYNSBCCH-PMACEKPBSA-N 1 1 464.655 3.252 20 0 JGADMO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001302525071 1067146426 /nfs/dbraw/zinc/14/64/26/1067146426.db2.gz ANEFTCFATCQADJ-OTWHNJEPSA-N 1 1 494.706 3.401 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302525243 1067147401 /nfs/dbraw/zinc/14/74/01/1067147401.db2.gz LYCADPPLIGCNJB-FGZHOGPDSA-N 1 1 483.661 3.488 20 0 JGADMO CSC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001302525410 1067147995 /nfs/dbraw/zinc/14/79/95/1067147995.db2.gz DXKBBPCWGRAFSL-XBMUEBEBSA-N 1 1 469.721 3.023 20 0 JGADMO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C)CC1)[NH+]1CCOCC1 ZINC001302527215 1067153125 /nfs/dbraw/zinc/15/31/25/1067153125.db2.gz ARLOBLYVMIAFDA-IBGZPJMESA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)[C@H](Cn1c(CCOc2ccccc2)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001302527233 1067153487 /nfs/dbraw/zinc/15/34/87/1067153487.db2.gz BBSPPHPIJDGMLK-IBGZPJMESA-N 1 1 455.525 3.255 20 0 JGADMO CC(C)[C@H](Cn1c(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001302528876 1067157127 /nfs/dbraw/zinc/15/71/27/1067157127.db2.gz NNVGPBMPVVRKNY-ZCNNSNEGSA-N 1 1 478.682 3.282 20 0 JGADMO Cc1c(Cn2c(CC(C)(C)C)nnc2N2CC[C@@](C)([NH+]3CCOCC3)C2)cnn1CC(C)C ZINC001304117336 1067157719 /nfs/dbraw/zinc/15/77/19/1067157719.db2.gz PLMNIURJZJPWFE-RUZDIDTESA-N 1 1 457.667 3.377 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302529513 1067159035 /nfs/dbraw/zinc/15/90/35/1067159035.db2.gz YVDWQHYSEOYIMX-DHIUTWEWSA-N 1 1 488.721 3.499 20 0 JGADMO CS[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302537087 1067169116 /nfs/dbraw/zinc/16/91/16/1067169116.db2.gz VPPNZZTWVMPQIC-UXHICEINSA-N 1 1 456.660 3.366 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001304135963 1067174136 /nfs/dbraw/zinc/17/41/36/1067174136.db2.gz KGSGJNWALONSRM-UGKGYDQZSA-N 1 1 495.672 3.213 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304138475 1067178826 /nfs/dbraw/zinc/17/88/26/1067178826.db2.gz FUFQEVVVJDAVSO-HOYKHHGWSA-N 1 1 488.036 3.125 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(C(C)(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC001302553761 1067191623 /nfs/dbraw/zinc/19/16/23/1067191623.db2.gz NMTRNKYSOZCFIM-DEOSSOPVSA-N 1 1 473.691 3.333 20 0 JGADMO Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304151717 1067197574 /nfs/dbraw/zinc/19/75/74/1067197574.db2.gz IMWXPCZKTMNQBS-BKMJKUGQSA-N 1 1 489.661 3.432 20 0 JGADMO Cc1cccc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304153772 1067201671 /nfs/dbraw/zinc/20/16/71/1067201671.db2.gz AXEGNMQKDKTRES-PCCBWWKXSA-N 1 1 456.635 3.074 20 0 JGADMO Cc1cccc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304153772 1067201677 /nfs/dbraw/zinc/20/16/77/1067201677.db2.gz AXEGNMQKDKTRES-PCCBWWKXSA-N 1 1 456.635 3.074 20 0 JGADMO CS[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302565833 1067205329 /nfs/dbraw/zinc/20/53/29/1067205329.db2.gz IMIVLZCYCSZVHW-NHCUHLMSSA-N 1 1 459.660 3.384 20 0 JGADMO CS[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001302568222 1067207347 /nfs/dbraw/zinc/20/73/47/1067207347.db2.gz WVHXJBLNMMSJEZ-OAQYLSRUSA-N 1 1 469.659 3.092 20 0 JGADMO CC(C)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001302568447 1067207653 /nfs/dbraw/zinc/20/76/53/1067207653.db2.gz CYYIQIQWJGQJGR-QFIPXVFZSA-N 1 1 459.660 3.470 20 0 JGADMO CC(C)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001302568446 1067207663 /nfs/dbraw/zinc/20/76/63/1067207663.db2.gz CYYIQIQWJGQJGR-JOCHJYFZSA-N 1 1 459.660 3.470 20 0 JGADMO CS[C@H](C)Cn1c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001302570093 1067209253 /nfs/dbraw/zinc/20/92/53/1067209253.db2.gz PSJNHYDLHVRHSX-DNVFCKCGSA-N 1 1 451.681 3.381 20 0 JGADMO Cc1cc(C)cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001304162968 1067209744 /nfs/dbraw/zinc/20/97/44/1067209744.db2.gz CPSOKBCAHQGKRH-RTWAWAEBSA-N 1 1 488.702 3.058 20 0 JGADMO Cc1ccc(NC(=O)CSCC(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)cc1 ZINC001304164902 1067211857 /nfs/dbraw/zinc/21/18/57/1067211857.db2.gz TUXBJATUHFVSOG-UHFFFAOYSA-N 1 1 455.624 3.418 20 0 JGADMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)cc(NC(C)=O)c1OC ZINC001304166066 1067212683 /nfs/dbraw/zinc/21/26/83/1067212683.db2.gz QFZDWRQYSONBRQ-UHFFFAOYSA-N 1 1 455.555 3.027 20 0 JGADMO C[N@H+]1CC[C@H]2CN(C(=O)C[C@@H](Cc3cc(F)c(F)cc3F)NC(=O)OC(C)(C)C)CC[C@H]21 ZINC001302574629 1067213706 /nfs/dbraw/zinc/21/37/06/1067213706.db2.gz NNHPGGUKNFGZPK-YYFZDKIDSA-N 1 1 455.521 3.482 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001304167808 1067214162 /nfs/dbraw/zinc/21/41/62/1067214162.db2.gz SRLNMWUBFMSZOE-UNMCSNQZSA-N 1 1 491.702 3.464 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304167808 1067214166 /nfs/dbraw/zinc/21/41/66/1067214166.db2.gz SRLNMWUBFMSZOE-UNMCSNQZSA-N 1 1 491.702 3.464 20 0 JGADMO Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCOCC2)no1 ZINC001304168068 1067214674 /nfs/dbraw/zinc/21/46/74/1067214674.db2.gz APUBHEHYILXDJE-UHFFFAOYSA-N 1 1 454.575 3.129 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccon3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304168822 1067216196 /nfs/dbraw/zinc/21/61/96/1067216196.db2.gz NNHPDLBEJUHJJW-HSZRJFAPSA-N 1 1 468.602 3.455 20 0 JGADMO CS[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)C(C)(C)C ZINC001302580285 1067218195 /nfs/dbraw/zinc/21/81/95/1067218195.db2.gz MPFIXQPXUNVFTB-LJQANCHMSA-N 1 1 480.723 3.086 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCC(=O)NC(C)(C)C)c1 ZINC001304172422 1067220523 /nfs/dbraw/zinc/22/05/23/1067220523.db2.gz YHCJQHHTJDZQKV-NHCUHLMSSA-N 1 1 468.646 3.452 20 0 JGADMO CC(C)c1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302584321 1067223279 /nfs/dbraw/zinc/22/32/79/1067223279.db2.gz CVDYJCLPSRHZNQ-VXKWHMMOSA-N 1 1 459.660 3.185 20 0 JGADMO CS[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(C)(C)C ZINC001302587831 1067225390 /nfs/dbraw/zinc/22/53/90/1067225390.db2.gz GFZHVOPSKLYRHV-HYBUGGRVSA-N 1 1 458.676 3.343 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001304176447 1067225682 /nfs/dbraw/zinc/22/56/82/1067225682.db2.gz IREYMMCPBHMESW-OAQYLSRUSA-N 1 1 465.602 3.161 20 0 JGADMO CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001302589829 1067226697 /nfs/dbraw/zinc/22/66/97/1067226697.db2.gz BWQFNSADZNGKOR-BDKRGJGYSA-N 1 1 492.734 3.286 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304177983 1067226860 /nfs/dbraw/zinc/22/68/60/1067226860.db2.gz BWBORDUEEFQKHN-NYVOZVTQSA-N 1 1 468.646 3.296 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304177981 1067226961 /nfs/dbraw/zinc/22/69/61/1067226961.db2.gz BWBORDUEEFQKHN-COPCDDAFSA-N 1 1 468.646 3.296 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CCOC(C)C)c1 ZINC001304179637 1067228958 /nfs/dbraw/zinc/22/89/58/1067228958.db2.gz XVRFULVJNRBPPF-UHFFFAOYSA-N 1 1 498.672 3.033 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CCOC(C)C)c1 ZINC001304179637 1067228961 /nfs/dbraw/zinc/22/89/61/1067228961.db2.gz XVRFULVJNRBPPF-UHFFFAOYSA-N 1 1 498.672 3.033 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccccc1-c1cnn(C)c1 ZINC001302594855 1067232684 /nfs/dbraw/zinc/23/26/84/1067232684.db2.gz JBQXKENENTVDBD-BGYRXZFFSA-N 1 1 451.619 3.396 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccccc1-c1cnn(C)c1 ZINC001302594855 1067232693 /nfs/dbraw/zinc/23/26/93/1067232693.db2.gz JBQXKENENTVDBD-BGYRXZFFSA-N 1 1 451.619 3.396 20 0 JGADMO Cc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)no1 ZINC001304205124 1067251479 /nfs/dbraw/zinc/25/14/79/1067251479.db2.gz LJALFCNXJQYQSE-RTBURBONSA-N 1 1 457.966 3.118 20 0 JGADMO Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)no1 ZINC001304207569 1067252706 /nfs/dbraw/zinc/25/27/06/1067252706.db2.gz ADYCRLSHPIEGFH-QHCPKHFHSA-N 1 1 452.603 3.467 20 0 JGADMO Cc1cc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)no1 ZINC001304209364 1067253234 /nfs/dbraw/zinc/25/32/34/1067253234.db2.gz VWHRTGNIHRJUJN-JOCHJYFZSA-N 1 1 474.556 3.437 20 0 JGADMO CC(C)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001302629531 1067260069 /nfs/dbraw/zinc/26/00/69/1067260069.db2.gz PKJQNCGZJODNPO-TZIWHRDSSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001304227012 1067265125 /nfs/dbraw/zinc/26/51/25/1067265125.db2.gz AAMDOUMUVMFNEJ-KOUHRCEDSA-N 1 1 460.623 3.087 20 0 JGADMO Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001304227012 1067265132 /nfs/dbraw/zinc/26/51/32/1067265132.db2.gz AAMDOUMUVMFNEJ-KOUHRCEDSA-N 1 1 460.623 3.087 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)O ZINC001304230626 1067267627 /nfs/dbraw/zinc/26/76/27/1067267627.db2.gz DZMMZOPNRSXURI-RUZDIDTESA-N 1 1 492.064 3.323 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CC(=O)N(C)C ZINC001304231404 1067268431 /nfs/dbraw/zinc/26/84/31/1067268431.db2.gz JAEKQDJZIULFNE-ICSRJNTNSA-N 1 1 475.037 3.013 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC(=O)NC(C)C ZINC001304232961 1067271056 /nfs/dbraw/zinc/27/10/56/1067271056.db2.gz PFVVRQXWRLXUID-NRFANRHFSA-N 1 1 489.064 3.451 20 0 JGADMO Cc1cc(F)ccc1CCn1c([C@@H]2CCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304236446 1067274496 /nfs/dbraw/zinc/27/44/96/1067274496.db2.gz FTAIRRLAUZRAGC-OAQYLSRUSA-N 1 1 459.610 3.267 20 0 JGADMO Cc1cc(F)ccc1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001304242068 1067279092 /nfs/dbraw/zinc/27/90/92/1067279092.db2.gz YWKWFADKUAXDCF-DEOSSOPVSA-N 1 1 472.653 3.323 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302654057 1067281478 /nfs/dbraw/zinc/28/14/78/1067281478.db2.gz AVGUBBCYIBEHNA-FQEVSTJZSA-N 1 1 477.698 3.169 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302654057 1067281485 /nfs/dbraw/zinc/28/14/85/1067281485.db2.gz AVGUBBCYIBEHNA-FQEVSTJZSA-N 1 1 477.698 3.169 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302654057 1067281492 /nfs/dbraw/zinc/28/14/92/1067281492.db2.gz AVGUBBCYIBEHNA-FQEVSTJZSA-N 1 1 477.698 3.169 20 0 JGADMO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)nc(C(C)C)n1 ZINC001304245927 1067281543 /nfs/dbraw/zinc/28/15/43/1067281543.db2.gz SZEPVKGPAXIZDA-QFIPXVFZSA-N 1 1 484.693 3.451 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302654296 1067281911 /nfs/dbraw/zinc/28/19/11/1067281911.db2.gz GBQBNLVXGWYCQP-SFTDATJTSA-N 1 1 478.682 3.380 20 0 JGADMO CSc1ccccc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302658693 1067286148 /nfs/dbraw/zinc/28/61/48/1067286148.db2.gz OFOHXJRBBKLLOP-PXNSSMCTSA-N 1 1 494.731 3.367 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304251140 1067286424 /nfs/dbraw/zinc/28/64/24/1067286424.db2.gz WNMXAGMFAIJZIF-OAQYLSRUSA-N 1 1 456.635 3.360 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001302666288 1067293288 /nfs/dbraw/zinc/29/32/88/1067293288.db2.gz MXJIXUMYBMAFDP-HLAWJBBLSA-N 1 1 498.763 3.407 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001302667702 1067294715 /nfs/dbraw/zinc/29/47/15/1067294715.db2.gz YPTQANZKUVBKET-SLFFLAALSA-N 1 1 486.752 3.122 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001304268132 1067301591 /nfs/dbraw/zinc/30/15/91/1067301591.db2.gz FUYIMVGPYFDNIW-SANMLTNESA-N 1 1 464.614 3.387 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302683918 1067309285 /nfs/dbraw/zinc/30/92/85/1067309285.db2.gz UGEWOSZFJQFKRJ-VXKWHMMOSA-N 1 1 458.676 3.223 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302683916 1067309365 /nfs/dbraw/zinc/30/93/65/1067309365.db2.gz UGEWOSZFJQFKRJ-FGZHOGPDSA-N 1 1 458.676 3.223 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001302688571 1067313065 /nfs/dbraw/zinc/31/30/65/1067313065.db2.gz AWOLBFCYNSVFLI-XZOQPEGZSA-N 1 1 473.710 3.189 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCNC(=O)C1 ZINC001304275437 1067313276 /nfs/dbraw/zinc/31/32/76/1067313276.db2.gz WYDIDQSVZHJUGT-UHFFFAOYSA-N 1 1 465.602 3.210 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302691795 1067316888 /nfs/dbraw/zinc/31/68/88/1067316888.db2.gz FUDQYPOELDOPOR-UPVQGACJSA-N 1 1 481.689 3.055 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302691795 1067316897 /nfs/dbraw/zinc/31/68/97/1067316897.db2.gz FUDQYPOELDOPOR-UPVQGACJSA-N 1 1 481.689 3.055 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001302692551 1067318001 /nfs/dbraw/zinc/31/80/01/1067318001.db2.gz LAHPWMQHPSETRJ-FQEVSTJZSA-N 1 1 462.639 3.102 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001304278548 1067318073 /nfs/dbraw/zinc/31/80/73/1067318073.db2.gz SBHSJWDJVGNLFA-PWRODBHTSA-N 1 1 477.675 3.216 20 0 JGADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001302693891 1067319117 /nfs/dbraw/zinc/31/91/17/1067319117.db2.gz YLUOMMGGPVAXRF-HXUWFJFHSA-N 1 1 484.645 3.406 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302695168 1067320683 /nfs/dbraw/zinc/32/06/83/1067320683.db2.gz XZDXYVCHIVKMAT-XMSQKQJNSA-N 1 1 486.686 3.447 20 0 JGADMO CC(C)c1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302700151 1067324791 /nfs/dbraw/zinc/32/47/91/1067324791.db2.gz RKIIHNXSDNOPAP-CPJSRVTESA-N 1 1 451.619 3.408 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304284197 1067325585 /nfs/dbraw/zinc/32/55/85/1067325585.db2.gz ORMQKKNLGPNBFE-VXKWHMMOSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304284493 1067326393 /nfs/dbraw/zinc/32/63/93/1067326393.db2.gz UJWQAJGXBJGKMV-BHIFYINESA-N 1 1 457.619 3.198 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(Cc2csc(C)n2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302705419 1067327465 /nfs/dbraw/zinc/32/74/65/1067327465.db2.gz AHXWHLHVRPPTJH-FUHIMQAGSA-N 1 1 464.705 3.465 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC001304286001 1067327618 /nfs/dbraw/zinc/32/76/18/1067327618.db2.gz KRJJQAIUJQGMCZ-NRFANRHFSA-N 1 1 479.629 3.456 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001302706750 1067328760 /nfs/dbraw/zinc/32/87/60/1067328760.db2.gz MWBAASAFJZWAFU-HKBOAZHASA-N 1 1 477.700 3.123 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCOC2)c1 ZINC001304287609 1067329541 /nfs/dbraw/zinc/32/95/41/1067329541.db2.gz TUVYAUKGFSTFDQ-BHIFYINESA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCOC2)c1 ZINC001304287609 1067329552 /nfs/dbraw/zinc/32/95/52/1067329552.db2.gz TUVYAUKGFSTFDQ-BHIFYINESA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001304288669 1067332890 /nfs/dbraw/zinc/33/28/90/1067332890.db2.gz IKKHJCNQIYLWSV-VWLOTQADSA-N 1 1 472.703 3.442 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001304290381 1067337025 /nfs/dbraw/zinc/33/70/25/1067337025.db2.gz FZXJIUBYMSOZCS-IRLDBZIGSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001304291173 1067338724 /nfs/dbraw/zinc/33/87/24/1067338724.db2.gz LRLCPLPZKSMTFJ-UHFFFAOYSA-N 1 1 460.573 3.123 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304292115 1067340452 /nfs/dbraw/zinc/34/04/52/1067340452.db2.gz VPUUERLUDSPLBI-BWKNWUBXSA-N 1 1 457.619 3.198 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001302727848 1067343789 /nfs/dbraw/zinc/34/37/89/1067343789.db2.gz UKHLDRGGRKZZQQ-KSEOMHKRSA-N 1 1 491.727 3.423 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302727848 1067343794 /nfs/dbraw/zinc/34/37/94/1067343794.db2.gz UKHLDRGGRKZZQQ-KSEOMHKRSA-N 1 1 491.727 3.423 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001302727846 1067343957 /nfs/dbraw/zinc/34/39/57/1067343957.db2.gz UKHLDRGGRKZZQQ-BVSLBCMMSA-N 1 1 491.727 3.423 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302727846 1067343966 /nfs/dbraw/zinc/34/39/66/1067343966.db2.gz UKHLDRGGRKZZQQ-BVSLBCMMSA-N 1 1 491.727 3.423 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001304294843 1067344034 /nfs/dbraw/zinc/34/40/34/1067344034.db2.gz XPKJZWGBEYXYGY-TZIWHRDSSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001304295109 1067344180 /nfs/dbraw/zinc/34/41/80/1067344180.db2.gz XWKROLNCWSCSRJ-KSZLIROESA-N 1 1 451.637 3.084 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302731284 1067345677 /nfs/dbraw/zinc/34/56/77/1067345677.db2.gz NYDCZBORHRZKIW-IPVFLDMMSA-N 1 1 490.693 3.332 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCNC(=O)c2ccccc2F)o1 ZINC001304296440 1067345743 /nfs/dbraw/zinc/34/57/43/1067345743.db2.gz RACVJUQJYUVEKZ-UHFFFAOYSA-N 1 1 498.603 3.210 20 0 JGADMO CSCCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302736966 1067349432 /nfs/dbraw/zinc/34/94/32/1067349432.db2.gz BBRKHLHVRQIEJU-IBGZPJMESA-N 1 1 471.737 3.414 20 0 JGADMO Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCC[NH+]2CCOCC2)cc1Br ZINC001304302030 1067350486 /nfs/dbraw/zinc/35/04/86/1067350486.db2.gz HGBCIWHNKAMYKF-GOSISDBHSA-N 1 1 478.435 3.211 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)c2cccs2)o1 ZINC001304303972 1067351757 /nfs/dbraw/zinc/35/17/57/1067351757.db2.gz DUGDTNCPBJZPAQ-IEGUWTFLSA-N 1 1 459.616 3.361 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)c2cccs2)o1 ZINC001304303972 1067351768 /nfs/dbraw/zinc/35/17/68/1067351768.db2.gz DUGDTNCPBJZPAQ-IEGUWTFLSA-N 1 1 459.616 3.361 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCNC(=O)C(C)C)cc1Br ZINC001304305806 1067354013 /nfs/dbraw/zinc/35/40/13/1067354013.db2.gz AFKWTZJBLBXYOM-PKOBYXMFSA-N 1 1 489.462 3.461 20 0 JGADMO CC(C)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001302750579 1067357475 /nfs/dbraw/zinc/35/74/75/1067357475.db2.gz SLNFRSCQKWUFSD-JOCHJYFZSA-N 1 1 489.686 3.068 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001304311363 1067359123 /nfs/dbraw/zinc/35/91/23/1067359123.db2.gz LCVDLIKKNZGWOS-BVZFJXPGSA-N 1 1 488.633 3.403 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304311424 1067359139 /nfs/dbraw/zinc/35/91/39/1067359139.db2.gz LQQNWBNJOWUGNE-CJAUYULYSA-N 1 1 450.587 3.459 20 0 JGADMO CSCCCCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302757383 1067361183 /nfs/dbraw/zinc/36/11/83/1067361183.db2.gz UIEJORIBRKSXPN-DENIHFKCSA-N 1 1 462.708 3.143 20 0 JGADMO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302760412 1067362586 /nfs/dbraw/zinc/36/25/86/1067362586.db2.gz GSAJLVPLMOXGOC-CTNGQTDRSA-N 1 1 451.681 3.173 20 0 JGADMO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001302762181 1067363624 /nfs/dbraw/zinc/36/36/24/1067363624.db2.gz PXJOPQBOCCUYIO-PZJWPPBQSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCC(=O)N2)cc1Br ZINC001304317283 1067364592 /nfs/dbraw/zinc/36/45/92/1067364592.db2.gz LBVCVFFBQWDMMX-GOSISDBHSA-N 1 1 475.435 3.215 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001304317379 1067364974 /nfs/dbraw/zinc/36/49/74/1067364974.db2.gz SYNZDAJWJNLGSK-VQTJNVASSA-N 1 1 475.590 3.302 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001304317377 1067365025 /nfs/dbraw/zinc/36/50/25/1067365025.db2.gz SYNZDAJWJNLGSK-PMACEKPBSA-N 1 1 475.590 3.302 20 0 JGADMO CSCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001302766522 1067365989 /nfs/dbraw/zinc/36/59/89/1067365989.db2.gz AORSOROFNYMYPI-AUSIDOKSSA-N 1 1 488.677 3.140 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC4(COC(=O)N4)CC3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001304318720 1067366075 /nfs/dbraw/zinc/36/60/75/1067366075.db2.gz ZLDJIDQMAQBTPD-UHFFFAOYSA-N 1 1 491.434 3.435 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC(=O)N(C)C)cc1Br ZINC001304319188 1067366392 /nfs/dbraw/zinc/36/63/92/1067366392.db2.gz XIOZLSVDLLKHTE-UHFFFAOYSA-N 1 1 477.451 3.415 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2CC[N@@H+](C)C2CCCCC2)o1 ZINC001304318819 1067366446 /nfs/dbraw/zinc/36/64/46/1067366446.db2.gz BJFVEKLOQYVJDJ-FQEVSTJZSA-N 1 1 492.690 3.219 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)o1 ZINC001304322076 1067369625 /nfs/dbraw/zinc/36/96/25/1067369625.db2.gz LTQOPDNTFOORKL-UYAOXDASSA-N 1 1 488.633 3.139 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001302773654 1067371429 /nfs/dbraw/zinc/37/14/29/1067371429.db2.gz HSPSVYUXKBWVMD-NZQKXSOJSA-N 1 1 451.619 3.450 20 0 JGADMO CSCCCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001302774179 1067372115 /nfs/dbraw/zinc/37/21/15/1067372115.db2.gz HTXXPIFOAQYQJJ-XUZZJYLKSA-N 1 1 484.714 3.195 20 0 JGADMO CSCCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302776367 1067373688 /nfs/dbraw/zinc/37/36/88/1067373688.db2.gz GLFOJCMJTCVXBL-UHFFFAOYSA-N 1 1 487.718 3.363 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001304325479 1067374451 /nfs/dbraw/zinc/37/44/51/1067374451.db2.gz VIYQFPRZCIYLHR-VXKWHMMOSA-N 1 1 488.677 3.281 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001304326554 1067375592 /nfs/dbraw/zinc/37/55/92/1067375592.db2.gz VXIWIHNQLLQQJH-UJQZNKFNSA-N 1 1 463.648 3.083 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001302781306 1067375723 /nfs/dbraw/zinc/37/57/23/1067375723.db2.gz KEJRTGSVUXUQCT-PKTZIBPZSA-N 1 1 459.610 3.226 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCCCCO)cc1Br ZINC001304327262 1067376160 /nfs/dbraw/zinc/37/61/60/1067376160.db2.gz VUFALEOADDQBJU-LJQANCHMSA-N 1 1 478.435 3.090 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCCCCO)cc1Br ZINC001304327262 1067376167 /nfs/dbraw/zinc/37/61/67/1067376167.db2.gz VUFALEOADDQBJU-LJQANCHMSA-N 1 1 478.435 3.090 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOCC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1Br ZINC001304328170 1067376679 /nfs/dbraw/zinc/37/66/79/1067376679.db2.gz NPJQRHXHZHADIK-UHFFFAOYSA-N 1 1 491.478 3.126 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC001302784711 1067377246 /nfs/dbraw/zinc/37/72/46/1067377246.db2.gz XKHOWDLGPYONCU-HSZRJFAPSA-N 1 1 468.646 3.150 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)cc1Br ZINC001304329026 1067377448 /nfs/dbraw/zinc/37/74/48/1067377448.db2.gz ZXYRXGYRWXXNBS-IEBWSBKVSA-N 1 1 478.435 3.088 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)CCS1 ZINC001302788992 1067380385 /nfs/dbraw/zinc/38/03/85/1067380385.db2.gz NKTYTEVAOOUOEL-OAQYLSRUSA-N 1 1 463.623 3.296 20 0 JGADMO CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302794668 1067385486 /nfs/dbraw/zinc/38/54/86/1067385486.db2.gz BKELWWYWGXWVIR-RBBKRZOGSA-N 1 1 458.651 3.282 20 0 JGADMO CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302794668 1067385493 /nfs/dbraw/zinc/38/54/93/1067385493.db2.gz BKELWWYWGXWVIR-RBBKRZOGSA-N 1 1 458.651 3.282 20 0 JGADMO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001302799895 1067389092 /nfs/dbraw/zinc/38/90/92/1067389092.db2.gz WNXMMRJLGZUJEK-GDBMZVCRSA-N 1 1 453.454 3.472 20 0 JGADMO CSCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302800270 1067389318 /nfs/dbraw/zinc/38/93/18/1067389318.db2.gz BXDNBJVTBYBDIW-FQEVSTJZSA-N 1 1 472.659 3.059 20 0 JGADMO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cn1 ZINC001304357665 1067396919 /nfs/dbraw/zinc/39/69/19/1067396919.db2.gz COASMMATOYHIQF-HSZRJFAPSA-N 1 1 478.641 3.180 20 0 JGADMO CSCCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001302818298 1067406073 /nfs/dbraw/zinc/40/60/73/1067406073.db2.gz LIVCZSDCAOMCMF-NZQKXSOJSA-N 1 1 468.675 3.270 20 0 JGADMO CC(C)C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001302819499 1067407090 /nfs/dbraw/zinc/40/70/90/1067407090.db2.gz BRQVDSPZDONSEG-VJTSUQJLSA-N 1 1 485.696 3.413 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC001304373417 1067411209 /nfs/dbraw/zinc/41/12/09/1067411209.db2.gz VCGTVTSVSFYTOV-JOCHJYFZSA-N 1 1 467.662 3.316 20 0 JGADMO CC(C)CC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001302823579 1067412540 /nfs/dbraw/zinc/41/25/40/1067412540.db2.gz AJYMXYZWTWFHHD-GOSISDBHSA-N 1 1 454.685 3.025 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001304373971 1067412589 /nfs/dbraw/zinc/41/25/89/1067412589.db2.gz GXONFMBOMHCYRT-OAQYLSRUSA-N 1 1 466.586 3.223 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CC=CCO2)cc1C ZINC001304374535 1067413456 /nfs/dbraw/zinc/41/34/56/1067413456.db2.gz FLLVIPAICNQZLW-QFIPXVFZSA-N 1 1 482.629 3.039 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CC=CCO2)cc1C ZINC001304374535 1067413462 /nfs/dbraw/zinc/41/34/62/1067413462.db2.gz FLLVIPAICNQZLW-QFIPXVFZSA-N 1 1 482.629 3.039 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001304376720 1067418607 /nfs/dbraw/zinc/41/86/07/1067418607.db2.gz AGEUURHULHSEHE-XKCSPQBFSA-N 1 1 495.672 3.325 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001304377632 1067420363 /nfs/dbraw/zinc/42/03/63/1067420363.db2.gz HLNZOLGJLQRJFB-FQEVSTJZSA-N 1 1 495.628 3.394 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302834701 1067421784 /nfs/dbraw/zinc/42/17/84/1067421784.db2.gz CTSPUJZIASZRLT-RTWAWAEBSA-N 1 1 454.667 3.492 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001304379318 1067423907 /nfs/dbraw/zinc/42/39/07/1067423907.db2.gz JACJQQSIZJWLJU-JOCHJYFZSA-N 1 1 468.646 3.476 20 0 JGADMO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CC=CCC1 ZINC001302839905 1067426405 /nfs/dbraw/zinc/42/64/05/1067426405.db2.gz JUFQBFQZUFEYDC-OAQYLSRUSA-N 1 1 458.676 3.310 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOCC(C)C)cc1C ZINC001304380387 1067427850 /nfs/dbraw/zinc/42/78/50/1067427850.db2.gz ZIBXOHKGXBCSGR-ISKFKSNPSA-N 1 1 498.672 3.367 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCSCC(C)C)cc1C ZINC001304381578 1067429754 /nfs/dbraw/zinc/42/97/54/1067429754.db2.gz ATDSDTBDUAMDKN-OAQYLSRUSA-N 1 1 472.659 3.057 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCSCC(C)C)cc1C ZINC001304381578 1067429760 /nfs/dbraw/zinc/42/97/60/1067429760.db2.gz ATDSDTBDUAMDKN-OAQYLSRUSA-N 1 1 472.659 3.057 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCO[C@H](C)C1 ZINC001304383232 1067432417 /nfs/dbraw/zinc/43/24/17/1067432417.db2.gz JJRAUBHDTJFTJL-LJQANCHMSA-N 1 1 451.575 3.358 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001304383832 1067433416 /nfs/dbraw/zinc/43/34/16/1067433416.db2.gz NCCPQMAFKBXFBT-YADHBBJMSA-N 1 1 484.645 3.263 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCc2cn[nH]c2)cc1C ZINC001304383818 1067433459 /nfs/dbraw/zinc/43/34/59/1067433459.db2.gz MVXVUPWQBSMCFR-UHFFFAOYSA-N 1 1 450.591 3.034 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCCOC2)cc1C ZINC001304384394 1067434872 /nfs/dbraw/zinc/43/48/72/1067434872.db2.gz QANKDEQALOSZLQ-QFIPXVFZSA-N 1 1 484.645 3.121 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001304384624 1067435819 /nfs/dbraw/zinc/43/58/19/1067435819.db2.gz RBGOJEFGFZCICV-XIFFEERXSA-N 1 1 474.675 3.225 20 0 JGADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302853899 1067438205 /nfs/dbraw/zinc/43/82/05/1067438205.db2.gz ZDSIEBVLMPRQKA-XPNTWCBSSA-N 1 1 450.501 3.311 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304385608 1067438455 /nfs/dbraw/zinc/43/84/55/1067438455.db2.gz ZCPNLQKNXNCMOX-UGKGYDQZSA-N 1 1 454.619 3.491 20 0 JGADMO CC(C)Cc1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCN1CCOC[C@@H]1C ZINC001302855763 1067438683 /nfs/dbraw/zinc/43/86/83/1067438683.db2.gz VDWFKZSWFKGZIC-LADGPHEKSA-N 1 1 454.663 3.156 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001302856597 1067439535 /nfs/dbraw/zinc/43/95/35/1067439535.db2.gz TTYSRUVPMIYQJN-ZTFGCOKTSA-N 1 1 468.499 3.135 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CC=CCC3)C2)nc1 ZINC001304386308 1067440417 /nfs/dbraw/zinc/44/04/17/1067440417.db2.gz DFKNZLSTKGBKNT-OAQYLSRUSA-N 1 1 451.619 3.297 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)C2)nc1 ZINC001304386305 1067440430 /nfs/dbraw/zinc/44/04/30/1067440430.db2.gz CXEJNMPFCHXGJG-OAQYLSRUSA-N 1 1 496.704 3.160 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)C2)nc1 ZINC001304386305 1067440433 /nfs/dbraw/zinc/44/04/33/1067440433.db2.gz CXEJNMPFCHXGJG-OAQYLSRUSA-N 1 1 496.704 3.160 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)C2)nc1 ZINC001304386305 1067440436 /nfs/dbraw/zinc/44/04/36/1067440436.db2.gz CXEJNMPFCHXGJG-OAQYLSRUSA-N 1 1 496.704 3.160 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1F ZINC001302862977 1067445547 /nfs/dbraw/zinc/44/55/47/1067445547.db2.gz VBGQEQWHQDMURC-APWZRJJASA-N 1 1 474.581 3.335 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCCNC(=O)c1cccc(O)c1 ZINC001302867828 1067448475 /nfs/dbraw/zinc/44/84/75/1067448475.db2.gz YIQMSIJFNLUKPW-HXUWFJFHSA-N 1 1 498.672 3.082 20 0 JGADMO CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001302870114 1067449843 /nfs/dbraw/zinc/44/98/43/1067449843.db2.gz XZQMQUNOLCYRCN-PZJWPPBQSA-N 1 1 495.594 3.240 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001304393115 1067452674 /nfs/dbraw/zinc/45/26/74/1067452674.db2.gz NXOPMYIFMRFXIX-FPOVZHCZSA-N 1 1 454.619 3.316 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302872730 1067456112 /nfs/dbraw/zinc/45/61/12/1067456112.db2.gz PVBVKTRZTFNGGY-LADGPHEKSA-N 1 1 482.673 3.323 20 0 JGADMO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001302873566 1067457580 /nfs/dbraw/zinc/45/75/80/1067457580.db2.gz ZTIFJFMMKIXWLA-GOSISDBHSA-N 1 1 470.622 3.103 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302878482 1067460525 /nfs/dbraw/zinc/46/05/25/1067460525.db2.gz FZJXWEQOISQZCC-WOJBJXKFSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302878482 1067460530 /nfs/dbraw/zinc/46/05/30/1067460530.db2.gz FZJXWEQOISQZCC-WOJBJXKFSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302880188 1067461461 /nfs/dbraw/zinc/46/14/61/1067461461.db2.gz PSJQPVNXUYAVCT-UPVQGACJSA-N 1 1 462.038 3.147 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001304399245 1067461871 /nfs/dbraw/zinc/46/18/71/1067461871.db2.gz XIOYXIBOETWGNJ-PCCBWWKXSA-N 1 1 486.661 3.062 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302880631 1067462051 /nfs/dbraw/zinc/46/20/51/1067462051.db2.gz VTSCKDDDSKOGHY-HXAGEGRHSA-N 1 1 452.647 3.479 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001302881618 1067463083 /nfs/dbraw/zinc/46/30/83/1067463083.db2.gz IHSFBJWYTQOXPV-BJKOFHAPSA-N 1 1 462.038 3.339 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001304401916 1067464269 /nfs/dbraw/zinc/46/42/69/1067464269.db2.gz MULLBFNGSDGRDW-UHFFFAOYSA-N 1 1 484.689 3.363 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@H]2CCOC2)cc1C ZINC001304402839 1067464623 /nfs/dbraw/zinc/46/46/23/1067464623.db2.gz AFIDDGXJYCGUPV-ZRBLBEILSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@H]2CCOC2)cc1C ZINC001304402839 1067464628 /nfs/dbraw/zinc/46/46/28/1067464628.db2.gz AFIDDGXJYCGUPV-ZRBLBEILSA-N 1 1 471.646 3.446 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCC[N@@H+](C)C2CCCCC2)CCN1S(C)(=O)=O ZINC001302883556 1067465764 /nfs/dbraw/zinc/46/57/64/1067465764.db2.gz XZQFIAPHJBHLHR-IBGZPJMESA-N 1 1 492.665 3.209 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001302888796 1067468585 /nfs/dbraw/zinc/46/85/85/1067468585.db2.gz DWBFTIFGLAVNSZ-UHFFFAOYSA-N 1 1 452.647 3.367 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001302890312 1067469584 /nfs/dbraw/zinc/46/95/84/1067469584.db2.gz CMNOFLQJUYBFNM-FQEVSTJZSA-N 1 1 489.709 3.407 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001302890312 1067469591 /nfs/dbraw/zinc/46/95/91/1067469591.db2.gz CMNOFLQJUYBFNM-FQEVSTJZSA-N 1 1 489.709 3.407 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001302890312 1067469598 /nfs/dbraw/zinc/46/95/98/1067469598.db2.gz CMNOFLQJUYBFNM-FQEVSTJZSA-N 1 1 489.709 3.407 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001304407134 1067471588 /nfs/dbraw/zinc/47/15/88/1067471588.db2.gz IVUSUDKUKGBDQG-AREMUKBSSA-N 1 1 470.662 3.197 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001302892082 1067471622 /nfs/dbraw/zinc/47/16/22/1067471622.db2.gz AKTNGGYTHPPIOQ-RTWAWAEBSA-N 1 1 476.666 3.035 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001304408728 1067473912 /nfs/dbraw/zinc/47/39/12/1067473912.db2.gz WPJPPDBTFFFKRF-BDTNDASRSA-N 1 1 457.619 3.016 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001304409823 1067475709 /nfs/dbraw/zinc/47/57/09/1067475709.db2.gz VJBJHECDQWIZAL-JOCHJYFZSA-N 1 1 467.536 3.401 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001302895642 1067476416 /nfs/dbraw/zinc/47/64/16/1067476416.db2.gz VAKYPTDFLXBYGK-OAQYLSRUSA-N 1 1 459.660 3.012 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304410485 1067477125 /nfs/dbraw/zinc/47/71/25/1067477125.db2.gz GCNQGCLMZWNRIP-VXKWHMMOSA-N 1 1 489.686 3.218 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304410485 1067477127 /nfs/dbraw/zinc/47/71/27/1067477127.db2.gz GCNQGCLMZWNRIP-VXKWHMMOSA-N 1 1 489.686 3.218 20 0 JGADMO CC(C)Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001302899649 1067481959 /nfs/dbraw/zinc/48/19/59/1067481959.db2.gz LRVBUPIOJZWZOJ-VWLOTQADSA-N 1 1 474.719 3.441 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001302901780 1067485967 /nfs/dbraw/zinc/48/59/67/1067485967.db2.gz PFRGNIQZLPSRFD-CALCHBBNSA-N 1 1 493.027 3.151 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(Cc4cccnc4)n3CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302902178 1067487139 /nfs/dbraw/zinc/48/71/39/1067487139.db2.gz XKBHXXKVDNXSIL-OYRHEFFESA-N 1 1 470.662 3.405 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001302902809 1067488121 /nfs/dbraw/zinc/48/81/21/1067488121.db2.gz PSKATDWAODOJDR-ZCNNSNEGSA-N 1 1 492.665 3.075 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001302902809 1067488123 /nfs/dbraw/zinc/48/81/23/1067488123.db2.gz PSKATDWAODOJDR-ZCNNSNEGSA-N 1 1 492.665 3.075 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001304417126 1067489204 /nfs/dbraw/zinc/48/92/04/1067489204.db2.gz SNMZRJLKQLGQSO-QFIPXVFZSA-N 1 1 479.629 3.420 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC001302905091 1067489601 /nfs/dbraw/zinc/48/96/01/1067489601.db2.gz GMQAUISAMWYJBS-CEXWTWQISA-N 1 1 476.691 3.324 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC001302905091 1067489606 /nfs/dbraw/zinc/48/96/06/1067489606.db2.gz GMQAUISAMWYJBS-CEXWTWQISA-N 1 1 476.691 3.324 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304417879 1067490787 /nfs/dbraw/zinc/49/07/87/1067490787.db2.gz GGEUAPWYEQDFKN-ZRZAMGCNSA-N 1 1 470.662 3.195 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3Br)n2CC2(O)CCC2)C[C@H](C)O1 ZINC001302905957 1067490974 /nfs/dbraw/zinc/49/09/74/1067490974.db2.gz WNLFWNDLBZEBOS-CALCHBBNSA-N 1 1 478.435 3.168 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3Br)n2CC2(O)CCC2)C[C@H](C)O1 ZINC001302905957 1067490978 /nfs/dbraw/zinc/49/09/78/1067490978.db2.gz WNLFWNDLBZEBOS-CALCHBBNSA-N 1 1 478.435 3.168 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2Cc2cc(C(C)(C)C)no2)C[C@H](C)O1 ZINC001302905968 1067491352 /nfs/dbraw/zinc/49/13/52/1067491352.db2.gz WTVIRPLUTBBRHS-HDICACEKSA-N 1 1 453.591 3.219 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2Cc2cc(C(C)(C)C)no2)C[C@H](C)O1 ZINC001302905968 1067491359 /nfs/dbraw/zinc/49/13/59/1067491359.db2.gz WTVIRPLUTBBRHS-HDICACEKSA-N 1 1 453.591 3.219 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC3CC3)n2C[C@@](C)(O)c2ccccc2Cl)C[C@H](C)O1 ZINC001302907801 1067492385 /nfs/dbraw/zinc/49/23/85/1067492385.db2.gz HXPZGXRGRSITIY-NXMSCROESA-N 1 1 462.038 3.337 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC3CC3)n2C[C@@](C)(O)c2ccccc2Cl)C[C@H](C)O1 ZINC001302907801 1067492389 /nfs/dbraw/zinc/49/23/89/1067492389.db2.gz HXPZGXRGRSITIY-NXMSCROESA-N 1 1 462.038 3.337 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@H](C)O1 ZINC001302908439 1067493591 /nfs/dbraw/zinc/49/35/91/1067493591.db2.gz LMZUDQJACUNYOP-QKLQHJQFSA-N 1 1 499.990 3.480 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@H](C)O1 ZINC001302908439 1067493593 /nfs/dbraw/zinc/49/35/93/1067493593.db2.gz LMZUDQJACUNYOP-QKLQHJQFSA-N 1 1 499.990 3.480 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)C[C@H](C)O1 ZINC001302908974 1067494026 /nfs/dbraw/zinc/49/40/26/1067494026.db2.gz ONPSVIFOFYUQMB-PDFGSZSQSA-N 1 1 463.667 3.140 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)C[C@H](C)O1 ZINC001302908974 1067494029 /nfs/dbraw/zinc/49/40/29/1067494029.db2.gz ONPSVIFOFYUQMB-PDFGSZSQSA-N 1 1 463.667 3.140 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC001302908945 1067494094 /nfs/dbraw/zinc/49/40/94/1067494094.db2.gz OCPMPWLVOMAZGW-KDURUIRLSA-N 1 1 486.567 3.459 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC001302908945 1067494096 /nfs/dbraw/zinc/49/40/96/1067494096.db2.gz OCPMPWLVOMAZGW-KDURUIRLSA-N 1 1 486.567 3.459 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)C[C@H](C)O1 ZINC001302908978 1067494142 /nfs/dbraw/zinc/49/41/42/1067494142.db2.gz ONPSVIFOFYUQMB-UGCAPWQASA-N 1 1 463.667 3.140 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)C[C@H](C)O1 ZINC001302908978 1067494145 /nfs/dbraw/zinc/49/41/45/1067494145.db2.gz ONPSVIFOFYUQMB-UGCAPWQASA-N 1 1 463.667 3.140 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302915363 1067499499 /nfs/dbraw/zinc/49/94/99/1067499499.db2.gz VKPKKBCTSDQEMP-VQTJNVASSA-N 1 1 475.609 3.237 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304423147 1067499957 /nfs/dbraw/zinc/49/99/57/1067499957.db2.gz AZNATKBEVLPIAL-OYRHEFFESA-N 1 1 486.661 3.128 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304423147 1067499961 /nfs/dbraw/zinc/49/99/61/1067499961.db2.gz AZNATKBEVLPIAL-OYRHEFFESA-N 1 1 486.661 3.128 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001304426088 1067503781 /nfs/dbraw/zinc/50/37/81/1067503781.db2.gz WNMBIHAXEJNNHP-GBXCKJPGSA-N 1 1 471.646 3.303 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302924057 1067504327 /nfs/dbraw/zinc/50/43/27/1067504327.db2.gz WKZCNYPWCHSMFK-QHAWAJNXSA-N 1 1 478.682 3.469 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001304427413 1067504520 /nfs/dbraw/zinc/50/45/20/1067504520.db2.gz DFDIHKZWYQESMQ-JOCHJYFZSA-N 1 1 454.619 3.317 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302931013 1067506645 /nfs/dbraw/zinc/50/66/45/1067506645.db2.gz VQTGHULRBOTRQS-GBXCKJPGSA-N 1 1 465.708 3.468 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304429264 1067506962 /nfs/dbraw/zinc/50/69/62/1067506962.db2.gz OXBOHTQKZWGHNS-XZOQPEGZSA-N 1 1 471.646 3.497 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001302931836 1067507513 /nfs/dbraw/zinc/50/75/13/1067507513.db2.gz MLDLCTMGYFWNGJ-QHCPKHFHSA-N 1 1 496.700 3.440 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001302931836 1067507521 /nfs/dbraw/zinc/50/75/21/1067507521.db2.gz MLDLCTMGYFWNGJ-QHCPKHFHSA-N 1 1 496.700 3.440 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001302932508 1067508250 /nfs/dbraw/zinc/50/82/50/1067508250.db2.gz BGHDSLZTVADWOC-UHFFFAOYSA-N 1 1 451.681 3.289 20 0 JGADMO FC(F)(F)CN1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302935614 1067509359 /nfs/dbraw/zinc/50/93/59/1067509359.db2.gz ANCDJAVRMCKPEG-UHFFFAOYSA-N 1 1 486.970 3.395 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302937117 1067510539 /nfs/dbraw/zinc/51/05/39/1067510539.db2.gz JGVFHCXOODZTLF-UHFFFAOYSA-N 1 1 456.683 3.044 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302937117 1067510546 /nfs/dbraw/zinc/51/05/46/1067510546.db2.gz JGVFHCXOODZTLF-UHFFFAOYSA-N 1 1 456.683 3.044 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC1CCC(F)(F)CC1 ZINC001302938511 1067512110 /nfs/dbraw/zinc/51/21/10/1067512110.db2.gz RVZMEJPOJOJQGX-UHFFFAOYSA-N 1 1 466.621 3.437 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC1CCC(F)(F)CC1 ZINC001302938511 1067512115 /nfs/dbraw/zinc/51/21/15/1067512115.db2.gz RVZMEJPOJOJQGX-UHFFFAOYSA-N 1 1 466.621 3.437 20 0 JGADMO CC(C)n1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c(=O)[nH]c1=O ZINC001302940710 1067514641 /nfs/dbraw/zinc/51/46/41/1067514641.db2.gz QFGNHQDVCZQPPR-WOJBJXKFSA-N 1 1 452.580 3.123 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001302945552 1067518851 /nfs/dbraw/zinc/51/88/51/1067518851.db2.gz HZWNDKYBYLIKOB-RUZDIDTESA-N 1 1 481.689 3.090 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001304438645 1067519015 /nfs/dbraw/zinc/51/90/15/1067519015.db2.gz OLKPSCZGRMEPQG-UHFFFAOYSA-N 1 1 481.670 3.266 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCO[C@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304441451 1067522227 /nfs/dbraw/zinc/52/22/27/1067522227.db2.gz VJJQXLNZNMLANZ-IFMALSPDSA-N 1 1 459.660 3.461 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001302948899 1067522467 /nfs/dbraw/zinc/52/24/67/1067522467.db2.gz VRBPWXFUWBUAGB-GGAORHGYSA-N 1 1 452.647 3.446 20 0 JGADMO FC(F)Oc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001302956062 1067527922 /nfs/dbraw/zinc/52/79/22/1067527922.db2.gz ZARKFWFMNQKJHU-UHFFFAOYSA-N 1 1 486.489 3.493 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302959226 1067531053 /nfs/dbraw/zinc/53/10/53/1067531053.db2.gz RHWWPIMKFAIBOZ-HSZRJFAPSA-N 1 1 481.689 3.358 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001304451407 1067532793 /nfs/dbraw/zinc/53/27/93/1067532793.db2.gz NZUFKYKFAIWFHI-MOPGFXCFSA-N 1 1 488.633 3.177 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001304451407 1067532797 /nfs/dbraw/zinc/53/27/97/1067532797.db2.gz NZUFKYKFAIWFHI-MOPGFXCFSA-N 1 1 488.633 3.177 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001304451410 1067532961 /nfs/dbraw/zinc/53/29/61/1067532961.db2.gz NZUFKYKFAIWFHI-RTBURBONSA-N 1 1 488.633 3.177 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001304451410 1067532967 /nfs/dbraw/zinc/53/29/67/1067532967.db2.gz NZUFKYKFAIWFHI-RTBURBONSA-N 1 1 488.633 3.177 20 0 JGADMO Cc1ncc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC001304452501 1067533271 /nfs/dbraw/zinc/53/32/71/1067533271.db2.gz BDUZGTNSIQPDID-UHFFFAOYSA-N 1 1 455.632 3.256 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001302965346 1067535333 /nfs/dbraw/zinc/53/53/33/1067535333.db2.gz RHGPQJQNRGKXOY-BJKOFHAPSA-N 1 1 476.710 3.057 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3ccccc3N3CCOCC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304456338 1067536650 /nfs/dbraw/zinc/53/66/50/1067536650.db2.gz NKYCLJSQDSFBTK-UHFFFAOYSA-N 1 1 463.630 3.462 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC001304459102 1067538612 /nfs/dbraw/zinc/53/86/12/1067538612.db2.gz DGMSUUQQMSBHIP-IBGZPJMESA-N 1 1 495.594 3.080 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC001304459102 1067538618 /nfs/dbraw/zinc/53/86/18/1067538618.db2.gz DGMSUUQQMSBHIP-IBGZPJMESA-N 1 1 495.594 3.080 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC001304459104 1067538656 /nfs/dbraw/zinc/53/86/56/1067538656.db2.gz DGMSUUQQMSBHIP-LJQANCHMSA-N 1 1 495.594 3.080 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC001304459104 1067538657 /nfs/dbraw/zinc/53/86/57/1067538657.db2.gz DGMSUUQQMSBHIP-LJQANCHMSA-N 1 1 495.594 3.080 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCCCCC2)n1 ZINC001304459601 1067539058 /nfs/dbraw/zinc/53/90/58/1067539058.db2.gz IVLDZPNCMSICHK-OYRHEFFESA-N 1 1 456.635 3.279 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCCCCC2)n1 ZINC001304459601 1067539067 /nfs/dbraw/zinc/53/90/67/1067539067.db2.gz IVLDZPNCMSICHK-OYRHEFFESA-N 1 1 456.635 3.279 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302971676 1067539897 /nfs/dbraw/zinc/53/98/97/1067539897.db2.gz GMWAJCAJGNRMAW-NBGIEHNGSA-N 1 1 462.683 3.061 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCOCc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001304462581 1067540759 /nfs/dbraw/zinc/54/07/59/1067540759.db2.gz XADWAICBZVXJHZ-UHFFFAOYSA-N 1 1 477.657 3.328 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCOCc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304462581 1067540761 /nfs/dbraw/zinc/54/07/61/1067540761.db2.gz XADWAICBZVXJHZ-UHFFFAOYSA-N 1 1 477.657 3.328 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCOCc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304462581 1067540763 /nfs/dbraw/zinc/54/07/63/1067540763.db2.gz XADWAICBZVXJHZ-UHFFFAOYSA-N 1 1 477.657 3.328 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001304462630 1067540956 /nfs/dbraw/zinc/54/09/56/1067540956.db2.gz YJDLFDIWMAWWNX-LJQANCHMSA-N 1 1 454.550 3.024 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304464020 1067542222 /nfs/dbraw/zinc/54/22/22/1067542222.db2.gz CJHBGBRAWSOBHW-OAQYLSRUSA-N 1 1 497.688 3.136 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304464020 1067542232 /nfs/dbraw/zinc/54/22/32/1067542232.db2.gz CJHBGBRAWSOBHW-OAQYLSRUSA-N 1 1 497.688 3.136 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302977108 1067542781 /nfs/dbraw/zinc/54/27/81/1067542781.db2.gz RJZRMRRZZBKQBB-DQEYMECFSA-N 1 1 485.673 3.398 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302977111 1067543145 /nfs/dbraw/zinc/54/31/45/1067543145.db2.gz RJZRMRRZZBKQBB-RPBOFIJWSA-N 1 1 485.673 3.398 20 0 JGADMO Fc1ccccc1OCc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCOCC(F)F ZINC001302977513 1067543602 /nfs/dbraw/zinc/54/36/02/1067543602.db2.gz NCRHYVWRMRLIHJ-KRWDZBQOSA-N 1 1 453.509 3.343 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304465370 1067543665 /nfs/dbraw/zinc/54/36/65/1067543665.db2.gz LTIKSHHQPHWSOX-MRXNPFEDSA-N 1 1 450.509 3.481 20 0 JGADMO Fc1ccccc1OCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[NH+]1CCOCC1 ZINC001302979720 1067545187 /nfs/dbraw/zinc/54/51/87/1067545187.db2.gz ZCHLAJOLWHEWHE-QGZVFWFLSA-N 1 1 471.499 3.497 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304472916 1067551170 /nfs/dbraw/zinc/55/11/70/1067551170.db2.gz AJGONGYQSRLDDC-VXKWHMMOSA-N 1 1 453.635 3.216 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304475136 1067553273 /nfs/dbraw/zinc/55/32/73/1067553273.db2.gz ZPVKHKVMUQIVIY-NHCUHLMSSA-N 1 1 453.635 3.121 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304475138 1067553325 /nfs/dbraw/zinc/55/33/25/1067553325.db2.gz ZPVKHKVMUQIVIY-SFTDATJTSA-N 1 1 453.635 3.121 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCCC(C)(C)C)n1 ZINC001304478624 1067557368 /nfs/dbraw/zinc/55/73/68/1067557368.db2.gz XXWHUZJXMRHWMN-NRFANRHFSA-N 1 1 453.635 3.218 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CCCC(C)(C)C)n1 ZINC001304478625 1067557407 /nfs/dbraw/zinc/55/74/07/1067557407.db2.gz XXWHUZJXMRHWMN-OAQYLSRUSA-N 1 1 453.635 3.218 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[NH+](C[C@H](O)COc4ccccc4)CC3)n2CCC(C)C)n1 ZINC001304479825 1067559366 /nfs/dbraw/zinc/55/93/66/1067559366.db2.gz CTHHHVIQRIEPRK-QFIPXVFZSA-N 1 1 464.614 3.257 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CCC(=O)NC(C)(C)C)n1 ZINC001304480517 1067559960 /nfs/dbraw/zinc/55/99/60/1067559960.db2.gz NHODPAYEZVSGHP-UHFFFAOYSA-N 1 1 467.643 3.337 20 0 JGADMO Cc1cccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001304484213 1067563693 /nfs/dbraw/zinc/56/36/93/1067563693.db2.gz UJVDZLCFZSVWHE-UEXGIBASSA-N 1 1 460.648 3.021 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303017706 1067571194 /nfs/dbraw/zinc/57/11/94/1067571194.db2.gz UTHZYIVEXBJTIX-LVXARBLLSA-N 1 1 470.662 3.141 20 0 JGADMO Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC001304495279 1067571420 /nfs/dbraw/zinc/57/14/20/1067571420.db2.gz AOXPZJBTWMOIHE-FUPPJEDESA-N 1 1 488.702 3.336 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303021824 1067573788 /nfs/dbraw/zinc/57/37/88/1067573788.db2.gz MKXOOFQFVAGNQC-JXQFQVJHSA-N 1 1 474.675 3.130 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303021822 1067573849 /nfs/dbraw/zinc/57/38/49/1067573849.db2.gz MKXOOFQFVAGNQC-IMWIBFENSA-N 1 1 474.675 3.130 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001304503181 1067577298 /nfs/dbraw/zinc/57/72/98/1067577298.db2.gz WRLCVHBBIYHIRZ-LJQANCHMSA-N 1 1 457.619 3.484 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC001304504022 1067578192 /nfs/dbraw/zinc/57/81/92/1067578192.db2.gz NYIOQKBXKNIFBR-FQEVSTJZSA-N 1 1 465.602 3.148 20 0 JGADMO CC(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001303031766 1067580132 /nfs/dbraw/zinc/58/01/32/1067580132.db2.gz PQZIFQIVIOWBMM-QFIPXVFZSA-N 1 1 459.660 3.329 20 0 JGADMO CC(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001303031766 1067580138 /nfs/dbraw/zinc/58/01/38/1067580138.db2.gz PQZIFQIVIOWBMM-QFIPXVFZSA-N 1 1 459.660 3.329 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304507055 1067580823 /nfs/dbraw/zinc/58/08/23/1067580823.db2.gz PKZIZCFCCTVKJE-NRFANRHFSA-N 1 1 451.619 3.308 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@H]3c3nncn3C)n2CCC[N@H+](C)C(C)C)c1 ZINC001304509063 1067583256 /nfs/dbraw/zinc/58/32/56/1067583256.db2.gz NFOKJSJIRMEKOD-NRFANRHFSA-N 1 1 452.607 3.366 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)n2CC(C)C)c1 ZINC001304511541 1067587152 /nfs/dbraw/zinc/58/71/52/1067587152.db2.gz DWKHNUPPZYIUPU-XMMPIXPASA-N 1 1 470.662 3.053 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001304511561 1067587588 /nfs/dbraw/zinc/58/75/88/1067587588.db2.gz FITAYJVCNNQCGX-HXUWFJFHSA-N 1 1 462.589 3.285 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304512650 1067589597 /nfs/dbraw/zinc/58/95/97/1067589597.db2.gz RUHIHAZGAFBYEY-JOCHJYFZSA-N 1 1 468.646 3.202 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001304513096 1067590443 /nfs/dbraw/zinc/59/04/43/1067590443.db2.gz OUKWJRVTBZCOTM-OAQYLSRUSA-N 1 1 454.619 3.004 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304513120 1067590456 /nfs/dbraw/zinc/59/04/56/1067590456.db2.gz PEMKOXRTLHKXOE-ZVDOUQERSA-N 1 1 497.562 3.432 20 0 JGADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304519408 1067594929 /nfs/dbraw/zinc/59/49/29/1067594929.db2.gz IIPLMDOHGUWVEX-NHCUHLMSSA-N 1 1 456.635 3.279 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CCc2nccs2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304526758 1067599356 /nfs/dbraw/zinc/59/93/56/1067599356.db2.gz SVBZLAGUJQUJFJ-OAQYLSRUSA-N 1 1 481.670 3.332 20 0 JGADMO COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC001303075095 1067608743 /nfs/dbraw/zinc/60/87/43/1067608743.db2.gz LSGQGDFEFCLIIX-HYBUGGRVSA-N 1 1 470.614 3.308 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001304537569 1067609400 /nfs/dbraw/zinc/60/94/00/1067609400.db2.gz QOVXQZQICAYQAW-WOJBJXKFSA-N 1 1 480.579 3.173 20 0 JGADMO CC(C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001303077449 1067609952 /nfs/dbraw/zinc/60/99/52/1067609952.db2.gz ZFZLILXROADRTC-UHFFFAOYSA-N 1 1 481.645 3.033 20 0 JGADMO O=C(C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2CCCOC(F)(F)F)CC1)N1CCCC1 ZINC001303079881 1067613663 /nfs/dbraw/zinc/61/36/63/1067613663.db2.gz LZFHQMROOOMNSY-UHFFFAOYSA-N 1 1 486.583 3.072 20 0 JGADMO O=C(C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2CCCOC(F)(F)F)CC1)N1CCCC1 ZINC001303079881 1067613666 /nfs/dbraw/zinc/61/36/66/1067613666.db2.gz LZFHQMROOOMNSY-UHFFFAOYSA-N 1 1 486.583 3.072 20 0 JGADMO Cc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001304544697 1067614904 /nfs/dbraw/zinc/61/49/04/1067614904.db2.gz XUWYFQBQDCFOJJ-NRFANRHFSA-N 1 1 452.647 3.298 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCOC[C@@H]1C ZINC001304546667 1067616048 /nfs/dbraw/zinc/61/60/48/1067616048.db2.gz BNADKQLXXMZRLY-ZPFZUWPUSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCOC[C@@H]1C ZINC001304546667 1067616053 /nfs/dbraw/zinc/61/60/53/1067616053.db2.gz BNADKQLXXMZRLY-ZPFZUWPUSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304548101 1067617200 /nfs/dbraw/zinc/61/72/00/1067617200.db2.gz MIQYWOJGGVXCEC-UHFFFAOYSA-N 1 1 456.679 3.455 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304548101 1067617204 /nfs/dbraw/zinc/61/72/04/1067617204.db2.gz MIQYWOJGGVXCEC-UHFFFAOYSA-N 1 1 456.679 3.455 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304548101 1067617207 /nfs/dbraw/zinc/61/72/07/1067617207.db2.gz MIQYWOJGGVXCEC-UHFFFAOYSA-N 1 1 456.679 3.455 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCC[N@H+](C)C(C)C ZINC001304551004 1067620407 /nfs/dbraw/zinc/62/04/07/1067620407.db2.gz MOEGZHUTYUMOLW-SANMLTNESA-N 1 1 454.663 3.209 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001304551468 1067621130 /nfs/dbraw/zinc/62/11/30/1067621130.db2.gz SBJCFIRTLUCFEO-FQEVSTJZSA-N 1 1 452.647 3.355 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001304552793 1067622221 /nfs/dbraw/zinc/62/22/21/1067622221.db2.gz LRHTYMUDOVCQEL-UHFFFAOYSA-N 1 1 496.700 3.371 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001304552793 1067622223 /nfs/dbraw/zinc/62/22/23/1067622223.db2.gz LRHTYMUDOVCQEL-UHFFFAOYSA-N 1 1 496.700 3.371 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304558201 1067626862 /nfs/dbraw/zinc/62/68/62/1067626862.db2.gz WWWHFSFQKZFRRO-UNMCSNQZSA-N 1 1 452.647 3.390 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(c3nccnc3C)CC2)n1CCC[N@H+](C)C(C)C ZINC001304558717 1067627554 /nfs/dbraw/zinc/62/75/54/1067627554.db2.gz DBAJFQJQWGEBIY-UHFFFAOYSA-N 1 1 462.646 3.333 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001304558770 1067627599 /nfs/dbraw/zinc/62/75/99/1067627599.db2.gz GEDBJUZHQSLNRH-FQEVSTJZSA-N 1 1 467.662 3.290 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCN(C)CC(F)(F)F ZINC001304559387 1067628859 /nfs/dbraw/zinc/62/88/59/1067628859.db2.gz KXBXDQOJFWIYOX-FQEVSTJZSA-N 1 1 494.606 3.361 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCCOC(F)(F)F ZINC001304562367 1067632647 /nfs/dbraw/zinc/63/26/47/1067632647.db2.gz VQIALIRFCQOPPM-FQEVSTJZSA-N 1 1 467.536 3.405 20 0 JGADMO Cc1ccccc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304567069 1067635388 /nfs/dbraw/zinc/63/53/88/1067635388.db2.gz GIYBVZGTALRINF-MZKRTTBSSA-N 1 1 473.687 3.493 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CC(=O)N(C)C)cc1 ZINC001303099904 1067637879 /nfs/dbraw/zinc/63/78/79/1067637879.db2.gz BRJOHZMYPVMHDR-OAQYLSRUSA-N 1 1 454.619 3.133 20 0 JGADMO Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001304570597 1067638439 /nfs/dbraw/zinc/63/84/39/1067638439.db2.gz FQUCWNQKSTUMSJ-HSZRJFAPSA-N 1 1 454.663 3.349 20 0 JGADMO Cc1ccccc1OCCCn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304572249 1067640757 /nfs/dbraw/zinc/64/07/57/1067640757.db2.gz BVCKFQQFEXFLGU-UHFFFAOYSA-N 1 1 467.618 3.003 20 0 JGADMO Cc1ccccc1OCCCn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304572249 1067640758 /nfs/dbraw/zinc/64/07/58/1067640758.db2.gz BVCKFQQFEXFLGU-UHFFFAOYSA-N 1 1 467.618 3.003 20 0 JGADMO CC(C)CCOCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303110399 1067648648 /nfs/dbraw/zinc/64/86/48/1067648648.db2.gz VEBONKVTWMVSAQ-IBGZPJMESA-N 1 1 495.466 3.020 20 0 JGADMO CC(C)CCOCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303110399 1067648650 /nfs/dbraw/zinc/64/86/50/1067648650.db2.gz VEBONKVTWMVSAQ-IBGZPJMESA-N 1 1 495.466 3.020 20 0 JGADMO CC(C)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303113205 1067651417 /nfs/dbraw/zinc/65/14/17/1067651417.db2.gz KLHQUFURDNWHNQ-INIZCTEOSA-N 1 1 484.464 3.353 20 0 JGADMO CC(C)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303113205 1067651420 /nfs/dbraw/zinc/65/14/20/1067651420.db2.gz KLHQUFURDNWHNQ-INIZCTEOSA-N 1 1 484.464 3.353 20 0 JGADMO CCOC(=O)c1csc(CC2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001303115492 1067652584 /nfs/dbraw/zinc/65/25/84/1067652584.db2.gz MGWAIHGIOGMSKW-FQEVSTJZSA-N 1 1 456.612 3.408 20 0 JGADMO CC1=CCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304596040 1067660234 /nfs/dbraw/zinc/66/02/34/1067660234.db2.gz HHYFXWFTCKNEJL-QHCPKHFHSA-N 1 1 450.631 3.162 20 0 JGADMO Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC001304600600 1067664435 /nfs/dbraw/zinc/66/44/35/1067664435.db2.gz PHAXLEHYFUQPFS-NRFANRHFSA-N 1 1 456.683 3.239 20 0 JGADMO Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)C2)c1 ZINC001304600600 1067664438 /nfs/dbraw/zinc/66/44/38/1067664438.db2.gz PHAXLEHYFUQPFS-NRFANRHFSA-N 1 1 456.683 3.239 20 0 JGADMO Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)C2)c1 ZINC001304600600 1067664441 /nfs/dbraw/zinc/66/44/41/1067664441.db2.gz PHAXLEHYFUQPFS-NRFANRHFSA-N 1 1 456.683 3.239 20 0 JGADMO Cc1cnn(CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001304603443 1067669134 /nfs/dbraw/zinc/66/91/34/1067669134.db2.gz LWIXJWWNCZHHFY-UHFFFAOYSA-N 1 1 476.000 3.490 20 0 JGADMO Cc1cnn(CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001304603443 1067669139 /nfs/dbraw/zinc/66/91/39/1067669139.db2.gz LWIXJWWNCZHHFY-UHFFFAOYSA-N 1 1 476.000 3.490 20 0 JGADMO CC(C)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303141262 1067680561 /nfs/dbraw/zinc/68/05/61/1067680561.db2.gz CDGGITPCDGTMTF-HSZRJFAPSA-N 1 1 465.646 3.316 20 0 JGADMO CC(C)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303142867 1067681356 /nfs/dbraw/zinc/68/13/56/1067681356.db2.gz SSYDYEGLUXKONL-SANMLTNESA-N 1 1 485.746 3.172 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001303143191 1067681818 /nfs/dbraw/zinc/68/18/18/1067681818.db2.gz AYOUJYDPKJRBNO-MOPGFXCFSA-N 1 1 452.525 3.356 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCSCC1 ZINC001303143852 1067682381 /nfs/dbraw/zinc/68/23/81/1067682381.db2.gz JTZHDZNJSAGZGQ-FQEVSTJZSA-N 1 1 450.052 3.312 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303144978 1067684346 /nfs/dbraw/zinc/68/43/46/1067684346.db2.gz XBULAWWQWAHFLS-SFHVURJKSA-N 1 1 484.542 3.005 20 0 JGADMO Cc1csc([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC001304618414 1067686336 /nfs/dbraw/zinc/68/63/36/1067686336.db2.gz LHFVRLPIGFODBL-QGZVFWFLSA-N 1 1 470.647 3.098 20 0 JGADMO Cc1csc([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC001304618413 1067686366 /nfs/dbraw/zinc/68/63/66/1067686366.db2.gz LHFVRLPIGFODBL-KRWDZBQOSA-N 1 1 470.647 3.098 20 0 JGADMO C[C@@H](C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)[N@@H+]1CCc2ccccc2C1 ZINC001303149070 1067687167 /nfs/dbraw/zinc/68/71/67/1067687167.db2.gz OYEVMIFVWPDPDJ-INIZCTEOSA-N 1 1 456.612 3.499 20 0 JGADMO C[C@@H](C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)[N@H+]1CCc2ccccc2C1 ZINC001303149070 1067687171 /nfs/dbraw/zinc/68/71/71/1067687171.db2.gz OYEVMIFVWPDPDJ-INIZCTEOSA-N 1 1 456.612 3.499 20 0 JGADMO Cc1csc([C@@H]2CN(c3nnc(C(C)C)n3CC3CCN(CC[NH+](C)C)CC3)CCO2)n1 ZINC001304619986 1067688265 /nfs/dbraw/zinc/68/82/65/1067688265.db2.gz BBOFDRDTHKQLAG-FQEVSTJZSA-N 1 1 461.680 3.018 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 ZINC001303152792 1067689130 /nfs/dbraw/zinc/68/91/30/1067689130.db2.gz FBAQBBHFJLONGC-GOSISDBHSA-N 1 1 453.509 3.079 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303152855 1067689538 /nfs/dbraw/zinc/68/95/38/1067689538.db2.gz HCBBTOUVJVOEDV-RBUKOAKNSA-N 1 1 487.954 3.137 20 0 JGADMO Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)C2)n1 ZINC001304621131 1067690148 /nfs/dbraw/zinc/69/01/48/1067690148.db2.gz SJERWHJQCWRMPL-UXHICEINSA-N 1 1 489.690 3.066 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303152937 1067690209 /nfs/dbraw/zinc/69/02/09/1067690209.db2.gz KFWOGJXQWDZQPZ-CRAIPNDOSA-N 1 1 491.917 3.352 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 ZINC001303153206 1067691078 /nfs/dbraw/zinc/69/10/78/1067691078.db2.gz TYSRDAOOUBLNBG-QGZVFWFLSA-N 1 1 464.383 3.460 20 0 JGADMO CC(C)CN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001303154531 1067691983 /nfs/dbraw/zinc/69/19/83/1067691983.db2.gz SNKMFGRUMQMBPC-HXUWFJFHSA-N 1 1 481.645 3.031 20 0 JGADMO OCCCSCCn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001303160283 1067696025 /nfs/dbraw/zinc/69/60/25/1067696025.db2.gz PHVDTKHRFHCTDB-UHFFFAOYSA-N 1 1 452.628 3.168 20 0 JGADMO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOCC3(C)C)CCO2)n1 ZINC001304626285 1067697001 /nfs/dbraw/zinc/69/70/01/1067697001.db2.gz ZSPOQDBKLMBXPW-SFHVURJKSA-N 1 1 462.664 3.320 20 0 JGADMO Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOCC3(C)C)CCO2)n1 ZINC001304626285 1067697003 /nfs/dbraw/zinc/69/70/03/1067697003.db2.gz ZSPOQDBKLMBXPW-SFHVURJKSA-N 1 1 462.664 3.320 20 0 JGADMO OCCN(Cc1ccc(F)c(Br)c1)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CC=CCC1 ZINC001303161665 1067698225 /nfs/dbraw/zinc/69/82/25/1067698225.db2.gz WSMPORDXMPYUJZ-HXUWFJFHSA-N 1 1 494.409 3.292 20 0 JGADMO Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCn2cc[nH+]c2C)c1 ZINC001304629407 1067699893 /nfs/dbraw/zinc/69/98/93/1067699893.db2.gz JPRYPFBLVJLVPN-UHFFFAOYSA-N 1 1 455.613 3.481 20 0 JGADMO Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304629862 1067700535 /nfs/dbraw/zinc/70/05/35/1067700535.db2.gz PNRVVERPFFAPSB-UHFFFAOYSA-N 1 1 488.683 3.387 20 0 JGADMO Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304629862 1067700545 /nfs/dbraw/zinc/70/05/45/1067700545.db2.gz PNRVVERPFFAPSB-UHFFFAOYSA-N 1 1 488.683 3.387 20 0 JGADMO Cc1csc(Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001304634574 1067703535 /nfs/dbraw/zinc/70/35/35/1067703535.db2.gz GOXTXEHBIZVNHK-QHCPKHFHSA-N 1 1 462.664 3.443 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001303172407 1067705364 /nfs/dbraw/zinc/70/53/64/1067705364.db2.gz GCHIKLKCMWSNRZ-QZTJIDSGSA-N 1 1 460.026 3.028 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001303172513 1067706055 /nfs/dbraw/zinc/70/60/55/1067706055.db2.gz IDUMAROZYXCZAW-SFHVURJKSA-N 1 1 475.592 3.145 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303172599 1067706438 /nfs/dbraw/zinc/70/64/38/1067706438.db2.gz JUOYQFMZGSWJRG-SFHVURJKSA-N 1 1 476.572 3.193 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001303173200 1067706998 /nfs/dbraw/zinc/70/69/98/1067706998.db2.gz PIYDKEDMTIIGMJ-IRXDYDNUSA-N 1 1 463.001 3.417 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001303173229 1067707038 /nfs/dbraw/zinc/70/70/38/1067707038.db2.gz PZYKAQTXFAELCO-ZWKOTPCHSA-N 1 1 495.550 3.061 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCc3ccccc32)C1 ZINC001303173271 1067707177 /nfs/dbraw/zinc/70/71/77/1067707177.db2.gz QVLKSLMUUYQRSN-ZRCGQRJVSA-N 1 1 488.702 3.380 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001303174267 1067707397 /nfs/dbraw/zinc/70/73/97/1067707397.db2.gz XCNQATLSYHNLCT-ZWKOTPCHSA-N 1 1 483.082 3.231 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001303174622 1067707983 /nfs/dbraw/zinc/70/79/83/1067707983.db2.gz ZKJKMIJKQRCIOL-OAQYLSRUSA-N 1 1 467.662 3.403 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001303177155 1067709867 /nfs/dbraw/zinc/70/98/67/1067709867.db2.gz GRRSHKIOTNFDGM-UXHICEINSA-N 1 1 472.600 3.224 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001303176709 1067709881 /nfs/dbraw/zinc/70/98/81/1067709881.db2.gz FGPVSJAFRHVXLK-ONTIZHBOSA-N 1 1 489.686 3.451 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001303178318 1067711072 /nfs/dbraw/zinc/71/10/72/1067711072.db2.gz KYQKVMFIOPAYOU-YTFSRNRJSA-N 1 1 474.694 3.486 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001303178785 1067712489 /nfs/dbraw/zinc/71/24/89/1067712489.db2.gz VWGSECZDDNZDIU-IBGZPJMESA-N 1 1 482.658 3.068 20 0 JGADMO Cc1nc(C)c(Cn2c(CN3CCCC3=O)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001304644253 1067713104 /nfs/dbraw/zinc/71/31/04/1067713104.db2.gz MGALELMWIZYNEI-UHFFFAOYSA-N 1 1 459.664 3.079 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)C1 ZINC001303179425 1067713377 /nfs/dbraw/zinc/71/33/77/1067713377.db2.gz VPHWVDSXILONDF-WOJBJXKFSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)cs1 ZINC001304647826 1067715746 /nfs/dbraw/zinc/71/57/46/1067715746.db2.gz DMOXWDVHVLJXGT-UHFFFAOYSA-N 1 1 487.699 3.105 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCOC[C@H]2C)cs1 ZINC001304648718 1067716467 /nfs/dbraw/zinc/71/64/67/1067716467.db2.gz OOTILHGGZGORKM-UYAOXDASSA-N 1 1 476.691 3.101 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)[C@H](C)C1=O ZINC001303184005 1067716850 /nfs/dbraw/zinc/71/68/50/1067716850.db2.gz OKNYVSLPRPWVHL-NFQMXDRXSA-N 1 1 482.673 3.002 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cs1 ZINC001304650471 1067718230 /nfs/dbraw/zinc/71/82/30/1067718230.db2.gz KLSLENDZMUZURZ-IBGZPJMESA-N 1 1 480.560 3.247 20 0 JGADMO Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001304650932 1067718662 /nfs/dbraw/zinc/71/86/62/1067718662.db2.gz MHEUQQBXOGPFSS-KRWDZBQOSA-N 1 1 488.731 3.356 20 0 JGADMO Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304650932 1067718669 /nfs/dbraw/zinc/71/86/69/1067718669.db2.gz MHEUQQBXOGPFSS-KRWDZBQOSA-N 1 1 488.731 3.356 20 0 JGADMO Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304650932 1067718673 /nfs/dbraw/zinc/71/86/73/1067718673.db2.gz MHEUQQBXOGPFSS-KRWDZBQOSA-N 1 1 488.731 3.356 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3cccc(C(N)=O)c3)n2CC[N@@H+](C)C2CCCC2)cs1 ZINC001304651383 1067719097 /nfs/dbraw/zinc/71/90/97/1067719097.db2.gz CPTBGKZQVRGVIO-UHFFFAOYSA-N 1 1 467.643 3.244 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001303185222 1067719683 /nfs/dbraw/zinc/71/96/83/1067719683.db2.gz WJOGXFSNGUFWSQ-FQEVSTJZSA-N 1 1 489.064 3.404 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001303185959 1067721720 /nfs/dbraw/zinc/72/17/20/1067721720.db2.gz RTDGXEFIZNQGNN-SFHVURJKSA-N 1 1 466.051 3.344 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[N@@H+](C)C(C)C)[C@H](C)C1=O ZINC001303190466 1067724965 /nfs/dbraw/zinc/72/49/65/1067724965.db2.gz YKGIJIRONZRAMU-OAQYLSRUSA-N 1 1 478.645 3.164 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cs1 ZINC001304656726 1067725255 /nfs/dbraw/zinc/72/52/55/1067725255.db2.gz OTJOATBYAQYANW-JOCHJYFZSA-N 1 1 476.691 3.244 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)[C@H](C)C1=O ZINC001303192604 1067726958 /nfs/dbraw/zinc/72/69/58/1067726958.db2.gz WRROGCXAQWQAAQ-NFBKMPQASA-N 1 1 486.636 3.484 20 0 JGADMO O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001304659428 1067727259 /nfs/dbraw/zinc/72/72/59/1067727259.db2.gz GUSPVOJMNNLHMT-MSOLQXFVSA-N 1 1 453.370 3.424 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCc2ccn(C)n2)cs1 ZINC001304665491 1067732219 /nfs/dbraw/zinc/73/22/19/1067732219.db2.gz IKPKPPJLDNUDCA-UHFFFAOYSA-N 1 1 456.664 3.167 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1=O ZINC001303197606 1067732426 /nfs/dbraw/zinc/73/24/26/1067732426.db2.gz XDKDQVCLBLBASY-GMAHTHKFSA-N 1 1 467.662 3.077 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001303198560 1067733707 /nfs/dbraw/zinc/73/37/07/1067733707.db2.gz FFCLJFUSCIANNK-FGZHOGPDSA-N 1 1 488.652 3.274 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001303198562 1067733759 /nfs/dbraw/zinc/73/37/59/1067733759.db2.gz FFCLJFUSCIANNK-VXKWHMMOSA-N 1 1 488.652 3.274 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cs1 ZINC001304666714 1067734161 /nfs/dbraw/zinc/73/41/61/1067734161.db2.gz SCVCCBPUNRSZDY-SFHVURJKSA-N 1 1 476.691 3.386 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ncnn2C(C)(C)C)cs1 ZINC001304667589 1067735503 /nfs/dbraw/zinc/73/55/03/1067735503.db2.gz BHGNVEBCUYGLTJ-UHFFFAOYSA-N 1 1 471.679 3.339 20 0 JGADMO Cc1nc(Cc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304667860 1067735970 /nfs/dbraw/zinc/73/59/70/1067735970.db2.gz JVLOAHKYGVCASB-UXHICEINSA-N 1 1 487.718 3.449 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)cs1 ZINC001304668343 1067736201 /nfs/dbraw/zinc/73/62/01/1067736201.db2.gz CRNCEXOQWSXMPI-HXUWFJFHSA-N 1 1 485.702 3.274 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cs1 ZINC001304668589 1067736694 /nfs/dbraw/zinc/73/66/94/1067736694.db2.gz DZRWIXLTRMEVKH-MJGOQNOKSA-N 1 1 473.691 3.105 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001303200878 1067736943 /nfs/dbraw/zinc/73/69/43/1067736943.db2.gz GRZVJJNDUMOXIU-LJQANCHMSA-N 1 1 462.664 3.250 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(C)C)CC3)n2CC[N@H+](C)Cc2ccccc2)cs1 ZINC001304669784 1067738477 /nfs/dbraw/zinc/73/84/77/1067738477.db2.gz JOKVLOBTRBWWDM-UHFFFAOYSA-N 1 1 453.660 3.296 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(C)C)CC3)n2CC[N@@H+](C)Cc2ccccc2)cs1 ZINC001304669784 1067738487 /nfs/dbraw/zinc/73/84/87/1067738487.db2.gz JOKVLOBTRBWWDM-UHFFFAOYSA-N 1 1 453.660 3.296 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3C[C@H](C)CC[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303203218 1067739056 /nfs/dbraw/zinc/73/90/56/1067739056.db2.gz COKFDNZYURCARS-KXEAFHOWSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3C[C@H](C)CC[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303203212 1067739090 /nfs/dbraw/zinc/73/90/90/1067739090.db2.gz COKFDNZYURCARS-APDHKMKFSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001303203894 1067739356 /nfs/dbraw/zinc/73/93/56/1067739356.db2.gz CRVGWTOTAYFZMW-GOSISDBHSA-N 1 1 481.016 3.055 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCC(NC(=O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303203893 1067739431 /nfs/dbraw/zinc/73/94/31/1067739431.db2.gz HQTYCOQDQZPAFM-QHCPKHFHSA-N 1 1 482.673 3.331 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C3CC3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC001303203838 1067739590 /nfs/dbraw/zinc/73/95/90/1067739590.db2.gz BXIHDZGJQIQREB-REWPJTCUSA-N 1 1 468.646 3.168 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001303203828 1067739670 /nfs/dbraw/zinc/73/96/70/1067739670.db2.gz HKZDRUVJHZGEQS-IBGZPJMESA-N 1 1 499.553 3.258 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C3CC3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC001303203836 1067739701 /nfs/dbraw/zinc/73/97/01/1067739701.db2.gz BXIHDZGJQIQREB-NZQKXSOJSA-N 1 1 468.646 3.168 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001303204032 1067740263 /nfs/dbraw/zinc/74/02/63/1067740263.db2.gz DSVNWAZMRKDSFX-PMACEKPBSA-N 1 1 487.649 3.076 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001303204481 1067741128 /nfs/dbraw/zinc/74/11/28/1067741128.db2.gz MSFRJASTUKYIEW-QFIPXVFZSA-N 1 1 460.692 3.254 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H]3CCOC3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303204392 1067741156 /nfs/dbraw/zinc/74/11/56/1067741156.db2.gz IQTMQDMHLPJWQH-RBUKOAKNSA-N 1 1 459.557 3.308 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001304672143 1067741394 /nfs/dbraw/zinc/74/13/94/1067741394.db2.gz AASBFDLIQGUMIT-HXUWFJFHSA-N 1 1 487.718 3.449 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N(C)CCN(C)c2ccccc2)C1 ZINC001303204885 1067742153 /nfs/dbraw/zinc/74/21/53/1067742153.db2.gz MYDCNNCVFRABDF-QHCPKHFHSA-N 1 1 463.630 3.270 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001303205530 1067742783 /nfs/dbraw/zinc/74/27/83/1067742783.db2.gz QJJJRGKHJLVTMC-YADHBBJMSA-N 1 1 476.710 3.212 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCOc2cccc(Cl)c2)C1 ZINC001303205427 1067742821 /nfs/dbraw/zinc/74/28/21/1067742821.db2.gz RGBJGVYOJKZCPK-OAQYLSRUSA-N 1 1 486.020 3.261 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccccc3F)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001303205617 1067743379 /nfs/dbraw/zinc/74/33/79/1067743379.db2.gz SEKTZMDAAYTWBA-PMACEKPBSA-N 1 1 475.609 3.357 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccccc3F)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001303206392 1067743709 /nfs/dbraw/zinc/74/37/09/1067743709.db2.gz SKWZDDMSOTXWPZ-QFIPXVFZSA-N 1 1 489.636 3.200 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCCN2CCOCC2)cs1 ZINC001304673797 1067743745 /nfs/dbraw/zinc/74/37/45/1067743745.db2.gz BUYWHUALNKLNFS-UHFFFAOYSA-N 1 1 489.734 3.304 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2ccc(C(C)(C)O)cc2)cs1 ZINC001304673890 1067743805 /nfs/dbraw/zinc/74/38/05/1067743805.db2.gz FKHJOBXRAZMCQK-UHFFFAOYSA-N 1 1 498.697 3.457 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)nnc2C(C)(C)C)C1 ZINC001303206568 1067744177 /nfs/dbraw/zinc/74/41/77/1067744177.db2.gz UEHYVRSSSZZAOB-FYYLOGMGSA-N 1 1 488.721 3.407 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001303206687 1067744655 /nfs/dbraw/zinc/74/46/55/1067744655.db2.gz WADJYQBCXCZEAA-WOJBJXKFSA-N 1 1 482.551 3.245 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(CC(F)F)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001304674774 1067745690 /nfs/dbraw/zinc/74/56/90/1067745690.db2.gz VONWJYQVBLEZKD-HDICACEKSA-N 1 1 481.661 3.389 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303208126 1067746057 /nfs/dbraw/zinc/74/60/57/1067746057.db2.gz WWAAUFYCBNYMDA-WOJBJXKFSA-N 1 1 478.682 3.327 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cs1 ZINC001304675399 1067746415 /nfs/dbraw/zinc/74/64/15/1067746415.db2.gz IFQHSOZEXKXIKK-NRFANRHFSA-N 1 1 476.691 3.386 20 0 JGADMO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001303208460 1067746569 /nfs/dbraw/zinc/74/65/69/1067746569.db2.gz MIBPEGLWLMROAJ-UHFFFAOYSA-N 1 1 457.623 3.452 20 0 JGADMO Cc1n[nH]c(CCn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001304678716 1067751030 /nfs/dbraw/zinc/75/10/30/1067751030.db2.gz GVLYWUAXVZGANC-UHFFFAOYSA-N 1 1 491.413 3.294 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001303215287 1067752646 /nfs/dbraw/zinc/75/26/46/1067752646.db2.gz IETDFEWZWZUMJK-FCHUYYIVSA-N 1 1 483.661 3.299 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303216796 1067754109 /nfs/dbraw/zinc/75/41/09/1067754109.db2.gz YUTDPBBFPHVWGG-JOCHJYFZSA-N 1 1 476.666 3.207 20 0 JGADMO CC(C)COc1ccc(Cn2c(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)nnc2C(C)(C)C)cc1 ZINC001303222433 1067758924 /nfs/dbraw/zinc/75/89/24/1067758924.db2.gz WGQBHXWNLHPJLC-QHCPKHFHSA-N 1 1 482.673 3.402 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(C(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001303224097 1067760485 /nfs/dbraw/zinc/76/04/85/1067760485.db2.gz IFYVVQKGHKDHIQ-XMMPIXPASA-N 1 1 454.663 3.471 20 0 JGADMO CC(C)COCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303232967 1067766167 /nfs/dbraw/zinc/76/61/67/1067766167.db2.gz KTELLIDLVSXCCX-HXUWFJFHSA-N 1 1 478.435 3.291 20 0 JGADMO CC(C)COCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303232967 1067766178 /nfs/dbraw/zinc/76/61/78/1067766178.db2.gz KTELLIDLVSXCCX-HXUWFJFHSA-N 1 1 478.435 3.291 20 0 JGADMO Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)s1 ZINC001304693511 1067766576 /nfs/dbraw/zinc/76/65/76/1067766576.db2.gz KUPOPIHVIMZSHK-UHFFFAOYSA-N 1 1 460.579 3.120 20 0 JGADMO Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC001304700356 1067770733 /nfs/dbraw/zinc/77/07/33/1067770733.db2.gz PCCCROQGPLSYIV-BGYRXZFFSA-N 1 1 489.734 3.452 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1 ZINC001304701802 1067773120 /nfs/dbraw/zinc/77/31/20/1067773120.db2.gz NXZRJECWYWLFNN-KRWDZBQOSA-N 1 1 471.993 3.072 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N3CCN(CC(C)C)C(=O)[C@H]3C)nnc2C(C)(C)C)cn1 ZINC001304701982 1067773179 /nfs/dbraw/zinc/77/31/79/1067773179.db2.gz RCKYJIVBRUNSRW-GOSISDBHSA-N 1 1 464.618 3.206 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCC(F)F)cc1F ZINC001304702125 1067773588 /nfs/dbraw/zinc/77/35/88/1067773588.db2.gz PXQCZUGRDPFCTO-UHFFFAOYSA-N 1 1 461.492 3.287 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001304703398 1067775893 /nfs/dbraw/zinc/77/58/93/1067775893.db2.gz GDGCGMHMAYBJMM-INIZCTEOSA-N 1 1 450.513 3.331 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001304703629 1067775908 /nfs/dbraw/zinc/77/59/08/1067775908.db2.gz RUYCCFIGTWIXEK-IEBWSBKVSA-N 1 1 469.556 3.230 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001304703808 1067776504 /nfs/dbraw/zinc/77/65/04/1067776504.db2.gz JWFAVANMGPIORT-GOSISDBHSA-N 1 1 483.642 3.291 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001304704911 1067777456 /nfs/dbraw/zinc/77/74/56/1067777456.db2.gz RVRCEAAIRZJDTO-PKOBYXMFSA-N 1 1 469.565 3.244 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001304704853 1067777718 /nfs/dbraw/zinc/77/77/18/1067777718.db2.gz JUOSBYCEMVCGMK-MSOLQXFVSA-N 1 1 456.616 3.426 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001304705107 1067777843 /nfs/dbraw/zinc/77/78/43/1067777843.db2.gz NAVDRLGVOOYRDY-UHFFFAOYSA-N 1 1 489.422 3.113 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001304707411 1067779421 /nfs/dbraw/zinc/77/94/21/1067779421.db2.gz IQOUQPCGLJYVEZ-SFHVURJKSA-N 1 1 485.658 3.451 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001303254604 1067780036 /nfs/dbraw/zinc/78/00/36/1067780036.db2.gz CGYBYRMMJSDXPZ-UHFFFAOYSA-N 1 1 471.650 3.405 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001303254791 1067780046 /nfs/dbraw/zinc/78/00/46/1067780046.db2.gz KRACQQHUUGRLBG-UHFFFAOYSA-N 1 1 490.718 3.227 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303254790 1067780061 /nfs/dbraw/zinc/78/00/61/1067780061.db2.gz KNHFXRBFBKDIDB-HSZRJFAPSA-N 1 1 486.636 3.484 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001304708727 1067780137 /nfs/dbraw/zinc/78/01/37/1067780137.db2.gz CWQJHPOVXUIZCQ-FQEVSTJZSA-N 1 1 473.622 3.418 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O ZINC001304709163 1067780653 /nfs/dbraw/zinc/78/06/53/1067780653.db2.gz LEVCVAVEQUPARJ-UHFFFAOYSA-N 1 1 463.586 3.194 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001304709839 1067780665 /nfs/dbraw/zinc/78/06/65/1067780665.db2.gz YWGGSBUROCFMAE-NRFANRHFSA-N 1 1 456.566 3.233 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC001304710074 1067781082 /nfs/dbraw/zinc/78/10/82/1067781082.db2.gz DBBRVNSRCADDMK-GOSISDBHSA-N 1 1 460.007 3.008 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOCC1 ZINC001304710221 1067781132 /nfs/dbraw/zinc/78/11/32/1067781132.db2.gz FTRRPFUIQGDBLP-UHFFFAOYSA-N 1 1 451.756 3.403 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001303255177 1067781228 /nfs/dbraw/zinc/78/12/28/1067781228.db2.gz YDAGFMFSTDPMME-GOTSBHOMSA-N 1 1 489.686 3.074 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001304710461 1067781546 /nfs/dbraw/zinc/78/15/46/1067781546.db2.gz IYKLTOFSCISPAV-LNLFQRSKSA-N 1 1 491.662 3.122 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ncn(C)n2)CC1 ZINC001303255794 1067782291 /nfs/dbraw/zinc/78/22/91/1067782291.db2.gz CITMTLBCALVZSJ-UHFFFAOYSA-N 1 1 487.450 3.441 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001304711692 1067782594 /nfs/dbraw/zinc/78/25/94/1067782594.db2.gz PAUVSVDKXAYCGZ-HXUWFJFHSA-N 1 1 473.622 3.118 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CC(C)C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001304712484 1067783629 /nfs/dbraw/zinc/78/36/29/1067783629.db2.gz RWXGJOANUPODTE-UHFFFAOYSA-N 1 1 455.994 3.184 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001303257105 1067784254 /nfs/dbraw/zinc/78/42/54/1067784254.db2.gz RQZHRZGUTPMCOZ-UHFFFAOYSA-N 1 1 463.630 3.182 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001304713002 1067784381 /nfs/dbraw/zinc/78/43/81/1067784381.db2.gz DDWAKSUUWAMWEB-WOJBJXKFSA-N 1 1 487.649 3.459 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001303258242 1067784515 /nfs/dbraw/zinc/78/45/15/1067784515.db2.gz KERWUUDIAOFDTN-JOCHJYFZSA-N 1 1 462.038 3.494 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)N(C)C)CC1 ZINC001303257660 1067784664 /nfs/dbraw/zinc/78/46/64/1067784664.db2.gz XOSOASJCWDISBA-UHFFFAOYSA-N 1 1 495.441 3.492 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001303258289 1067785064 /nfs/dbraw/zinc/78/50/64/1067785064.db2.gz LPENFOGNAGJIFC-UHFFFAOYSA-N 1 1 491.677 3.389 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1 ZINC001304713667 1067785140 /nfs/dbraw/zinc/78/51/40/1067785140.db2.gz ZGMYDNIQLJRBAK-UHFFFAOYSA-N 1 1 461.393 3.344 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCc1nccs1 ZINC001304713779 1067785155 /nfs/dbraw/zinc/78/51/55/1067785155.db2.gz ZLCPNMQPPBGKKX-UHFFFAOYSA-N 1 1 485.017 3.202 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@H]1C ZINC001304714267 1067785461 /nfs/dbraw/zinc/78/54/61/1067785461.db2.gz NQFKZCCRDWTKML-MRXNPFEDSA-N 1 1 458.010 3.306 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304714267 1067785469 /nfs/dbraw/zinc/78/54/69/1067785469.db2.gz NQFKZCCRDWTKML-MRXNPFEDSA-N 1 1 458.010 3.306 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001304714084 1067785614 /nfs/dbraw/zinc/78/56/14/1067785614.db2.gz PEFJXBNYEGZQDN-IBGZPJMESA-N 1 1 466.590 3.286 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2Br)nnc1N(C)Cc1cnn(C)c1 ZINC001304714682 1067786186 /nfs/dbraw/zinc/78/61/86/1067786186.db2.gz TXZOSXGSOUARIO-UHFFFAOYSA-N 1 1 455.364 3.283 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001303261511 1067787693 /nfs/dbraw/zinc/78/76/93/1067787693.db2.gz LDULCAAHKOKKAB-UHFFFAOYSA-N 1 1 462.545 3.088 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001304716790 1067788647 /nfs/dbraw/zinc/78/86/47/1067788647.db2.gz ZVWJJAKXPNHPFC-UHFFFAOYSA-N 1 1 465.602 3.326 20 0 JGADMO Cc1[nH+]ccn1CCn1c(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 ZINC001304716700 1067788688 /nfs/dbraw/zinc/78/86/88/1067788688.db2.gz YDSPSXWGFQZNRH-RBUKOAKNSA-N 1 1 470.643 3.211 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001303262508 1067789738 /nfs/dbraw/zinc/78/97/38/1067789738.db2.gz FFEYIQNLDROGHM-OAQYLSRUSA-N 1 1 495.093 3.333 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303262509 1067789794 /nfs/dbraw/zinc/78/97/94/1067789794.db2.gz FFQYSXDHNUSWAA-UHFFFAOYSA-N 1 1 459.948 3.408 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001303262911 1067790340 /nfs/dbraw/zinc/79/03/40/1067790340.db2.gz IMLWWYQSANJIQO-MRXNPFEDSA-N 1 1 466.417 3.196 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001303263787 1067791150 /nfs/dbraw/zinc/79/11/50/1067791150.db2.gz FABVRFAEUYKOLE-ZWKOTPCHSA-N 1 1 489.690 3.291 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001303263772 1067791243 /nfs/dbraw/zinc/79/12/43/1067791243.db2.gz DTFDHTRJUNNNLQ-UHFFFAOYSA-N 1 1 468.650 3.084 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001303265388 1067792241 /nfs/dbraw/zinc/79/22/41/1067792241.db2.gz HTIAFPHAGQEGBQ-FQEVSTJZSA-N 1 1 460.648 3.274 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001303265405 1067792385 /nfs/dbraw/zinc/79/23/85/1067792385.db2.gz IICQCKVHZOXJNQ-UHFFFAOYSA-N 1 1 471.625 3.122 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001303265389 1067792509 /nfs/dbraw/zinc/79/25/09/1067792509.db2.gz HTIAFPHAGQEGBQ-HXUWFJFHSA-N 1 1 460.648 3.274 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001303266262 1067793149 /nfs/dbraw/zinc/79/31/49/1067793149.db2.gz XQVSDRLJNUSUCA-LJQANCHMSA-N 1 1 457.623 3.421 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304722148 1067793302 /nfs/dbraw/zinc/79/33/02/1067793302.db2.gz YHDXAKYLVZJNME-UHFFFAOYSA-N 1 1 498.651 3.009 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001303266408 1067793634 /nfs/dbraw/zinc/79/36/34/1067793634.db2.gz PZGRMDVWWRWJTL-PMACEKPBSA-N 1 1 461.680 3.242 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001303267070 1067794306 /nfs/dbraw/zinc/79/43/06/1067794306.db2.gz YUVFDOJSAVVOMP-NRFANRHFSA-N 1 1 472.609 3.004 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001303267884 1067795083 /nfs/dbraw/zinc/79/50/83/1067795083.db2.gz IVLKZSIFQOXJGK-FQEVSTJZSA-N 1 1 496.660 3.350 20 0 JGADMO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001303267927 1067795182 /nfs/dbraw/zinc/79/51/82/1067795182.db2.gz KNJXLBMGBIONGP-UHFFFAOYSA-N 1 1 470.691 3.107 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001303267927 1067795190 /nfs/dbraw/zinc/79/51/90/1067795190.db2.gz KNJXLBMGBIONGP-UHFFFAOYSA-N 1 1 470.691 3.107 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001303267885 1067795493 /nfs/dbraw/zinc/79/54/93/1067795493.db2.gz IVLKZSIFQOXJGK-HXUWFJFHSA-N 1 1 496.660 3.350 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001303268161 1067795957 /nfs/dbraw/zinc/79/59/57/1067795957.db2.gz BUXNRDLDNGQHOS-HXUWFJFHSA-N 1 1 470.593 3.093 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001304724904 1067797020 /nfs/dbraw/zinc/79/70/20/1067797020.db2.gz DVBPCMSPSXACIR-INIZCTEOSA-N 1 1 458.010 3.380 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001303269260 1067797898 /nfs/dbraw/zinc/79/78/98/1067797898.db2.gz VUNYQOVIRMCKKV-UHFFFAOYSA-N 1 1 477.613 3.451 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001303269240 1067797930 /nfs/dbraw/zinc/79/79/30/1067797930.db2.gz VBWKGUXWIZNTST-HOTGVXAUSA-N 1 1 451.413 3.239 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001303269458 1067798408 /nfs/dbraw/zinc/79/84/08/1067798408.db2.gz ZALUDGGUMYTXRH-HXUWFJFHSA-N 1 1 488.434 3.150 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001303270359 1067799127 /nfs/dbraw/zinc/79/91/27/1067799127.db2.gz IUTAGYSIWQMONK-UHFFFAOYSA-N 1 1 474.560 3.395 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001303270404 1067799199 /nfs/dbraw/zinc/79/91/99/1067799199.db2.gz KDCOQRMJTDKLRU-IBGZPJMESA-N 1 1 457.600 3.276 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001303270399 1067799229 /nfs/dbraw/zinc/79/92/29/1067799229.db2.gz KAYWXSSNRGRWIB-KRWDZBQOSA-N 1 1 456.591 3.465 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001303271405 1067800319 /nfs/dbraw/zinc/80/03/19/1067800319.db2.gz QWQMMSHTRHSQSE-CQSZACIVSA-N 1 1 469.453 3.201 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001303271667 1067800763 /nfs/dbraw/zinc/80/07/63/1067800763.db2.gz QZUCZEJZZMCUQQ-UHFFFAOYSA-N 1 1 464.618 3.414 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001303272149 1067801061 /nfs/dbraw/zinc/80/10/61/1067801061.db2.gz YKSKJMYXKWJIQJ-SJORKVTESA-N 1 1 482.354 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001303272147 1067801211 /nfs/dbraw/zinc/80/12/11/1067801211.db2.gz YKSKJMYXKWJIQJ-IAGOWNOFSA-N 1 1 482.354 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275111 1067802423 /nfs/dbraw/zinc/80/24/23/1067802423.db2.gz SLCPFEOOXBCOQH-RBBKRZOGSA-N 1 1 454.619 3.349 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(OCc2ccccc2F)CC1 ZINC001303275058 1067802488 /nfs/dbraw/zinc/80/24/88/1067802488.db2.gz RAOIIRJWLIGQEF-UHFFFAOYSA-N 1 1 453.566 3.400 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001303278076 1067805816 /nfs/dbraw/zinc/80/58/16/1067805816.db2.gz ZZFYPBOZAYLRHH-UHFFFAOYSA-N 1 1 462.598 3.409 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001303278512 1067806876 /nfs/dbraw/zinc/80/68/76/1067806876.db2.gz HGNRTKVCCWRAGR-QGZVFWFLSA-N 1 1 493.450 3.052 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001303278549 1067807112 /nfs/dbraw/zinc/80/71/12/1067807112.db2.gz IWGRHODXLYOKDQ-IBGZPJMESA-N 1 1 455.582 3.139 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCCOCC1 ZINC001303278605 1067807233 /nfs/dbraw/zinc/80/72/33/1067807233.db2.gz KVLNQDCXZICMQD-UHFFFAOYSA-N 1 1 452.397 3.187 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001303278836 1067807735 /nfs/dbraw/zinc/80/77/35/1067807735.db2.gz RLBQUSRJTDDRFO-OAQYLSRUSA-N 1 1 468.646 3.306 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303279004 1067808305 /nfs/dbraw/zinc/80/83/05/1067808305.db2.gz YIBMPFOHCQIZQE-UHFFFAOYSA-N 1 1 476.597 3.394 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001304734434 1067808393 /nfs/dbraw/zinc/80/83/93/1067808393.db2.gz AUKUYQPAGVTUIF-WIYYLYMNSA-N 1 1 467.618 3.011 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccc(Br)cc2C1 ZINC001303278952 1067808429 /nfs/dbraw/zinc/80/84/29/1067808429.db2.gz WKTKMPQDIMRKLQ-UHFFFAOYSA-N 1 1 475.435 3.066 20 0 JGADMO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001304737872 1067811779 /nfs/dbraw/zinc/81/17/79/1067811779.db2.gz SIOVCFGXGXORIP-HXUWFJFHSA-N 1 1 484.674 3.265 20 0 JGADMO CC(C)N(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303286132 1067812304 /nfs/dbraw/zinc/81/23/04/1067812304.db2.gz ABAXXNGWPPYXPT-IRXDYDNUSA-N 1 1 451.662 3.139 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001304739437 1067813190 /nfs/dbraw/zinc/81/31/90/1067813190.db2.gz DWHYUDQVLVKBEA-UEVCKROQSA-N 1 1 457.667 3.392 20 0 JGADMO CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303287065 1067813239 /nfs/dbraw/zinc/81/32/39/1067813239.db2.gz GNBXSTSYKDMYRU-VXKWHMMOSA-N 1 1 472.634 3.470 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304739701 1067814218 /nfs/dbraw/zinc/81/42/18/1067814218.db2.gz JSNNZINODKMFTR-PTUXOGIPSA-N 1 1 484.693 3.097 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCCn2cc[nH+]c2C)n1 ZINC001304739993 1067814549 /nfs/dbraw/zinc/81/45/49/1067814549.db2.gz DKTQMDKLDNUAEE-INIZCTEOSA-N 1 1 453.620 3.431 20 0 JGADMO CC(C)[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCC2)CC1)C(C)C ZINC001303296684 1067820461 /nfs/dbraw/zinc/82/04/61/1067820461.db2.gz DYCDCSWQXOGZQG-UHFFFAOYSA-N 1 1 473.691 3.063 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001303302127 1067826915 /nfs/dbraw/zinc/82/69/15/1067826915.db2.gz CFXNGCAXIDUVOG-WBVHZDCISA-N 1 1 451.413 3.381 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc4cccnc43)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001303302503 1067827325 /nfs/dbraw/zinc/82/73/25/1067827325.db2.gz KEUWVWLKHVHWEM-HXUWFJFHSA-N 1 1 484.670 3.485 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001303302350 1067827357 /nfs/dbraw/zinc/82/73/57/1067827357.db2.gz HZDFJAJCWRBFBU-HXUWFJFHSA-N 1 1 492.615 3.435 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304748438 1067827913 /nfs/dbraw/zinc/82/79/13/1067827913.db2.gz ACJJQJZPEZGCIM-FQEVSTJZSA-N 1 1 481.567 3.195 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303402 1067828699 /nfs/dbraw/zinc/82/86/99/1067828699.db2.gz GOGBRSDBMCCRBI-SFTDATJTSA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303303163 1067828853 /nfs/dbraw/zinc/82/88/53/1067828853.db2.gz DCEJOPCBGXFKSH-QUCCMNQESA-N 1 1 458.582 3.004 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001303303229 1067828903 /nfs/dbraw/zinc/82/89/03/1067828903.db2.gz DRXWOAQKGHFAGB-VXKWHMMOSA-N 1 1 460.667 3.335 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001303303225 1067828925 /nfs/dbraw/zinc/82/89/25/1067828925.db2.gz DRXWOAQKGHFAGB-FCHUYYIVSA-N 1 1 460.667 3.335 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001303303552 1067829317 /nfs/dbraw/zinc/82/93/17/1067829317.db2.gz XNCUATWNIMDLKO-LJQANCHMSA-N 1 1 469.634 3.440 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303854 1067829826 /nfs/dbraw/zinc/82/98/26/1067829826.db2.gz JUMUAGVASGSELF-OALUTQOASA-N 1 1 491.624 3.469 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001303304517 1067831360 /nfs/dbraw/zinc/83/13/60/1067831360.db2.gz NLWZOOGALUWXHC-PMACEKPBSA-N 1 1 456.610 3.220 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cc2F)CC1 ZINC001303304371 1067831642 /nfs/dbraw/zinc/83/16/42/1067831642.db2.gz FZBHLCPFKXFANW-UHFFFAOYSA-N 1 1 455.513 3.172 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001303305014 1067832862 /nfs/dbraw/zinc/83/28/62/1067832862.db2.gz QJOSEZLBLKAVJF-IRLDBZIGSA-N 1 1 460.667 3.035 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304753144 1067833948 /nfs/dbraw/zinc/83/39/48/1067833948.db2.gz DOSJCVCUJWELBL-SZPZYZBQSA-N 1 1 487.693 3.423 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001303305787 1067834534 /nfs/dbraw/zinc/83/45/34/1067834534.db2.gz WBJBKYRPEYBRRU-NLINSNCNSA-N 1 1 467.643 3.229 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(C)CC(F)(F)F)CC1 ZINC001303307392 1067834958 /nfs/dbraw/zinc/83/49/58/1067834958.db2.gz DKPXYSSWPFRRBO-UHFFFAOYSA-N 1 1 482.551 3.479 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001303309579 1067836995 /nfs/dbraw/zinc/83/69/95/1067836995.db2.gz DXHQHVHKFHJXHM-UHFFFAOYSA-N 1 1 452.529 3.387 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001303310023 1067837815 /nfs/dbraw/zinc/83/78/15/1067837815.db2.gz DILAQLOLIDBWME-NRFANRHFSA-N 1 1 496.523 3.014 20 0 JGADMO CC(C)N1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001303310411 1067838218 /nfs/dbraw/zinc/83/82/18/1067838218.db2.gz HXDSHVUMMOOZPQ-UHFFFAOYSA-N 1 1 488.080 3.268 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001303310368 1067838260 /nfs/dbraw/zinc/83/82/60/1067838260.db2.gz GIMOZZFABVSUDK-LJQANCHMSA-N 1 1 496.077 3.256 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001303310380 1067838473 /nfs/dbraw/zinc/83/84/73/1067838473.db2.gz GULJMJBTQSLDPP-INIZCTEOSA-N 1 1 464.456 3.059 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303310380 1067838482 /nfs/dbraw/zinc/83/84/82/1067838482.db2.gz GULJMJBTQSLDPP-INIZCTEOSA-N 1 1 464.456 3.059 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001303310593 1067838673 /nfs/dbraw/zinc/83/86/73/1067838673.db2.gz OQHNUUNOKOTLLE-OAHLLOKOSA-N 1 1 458.554 3.421 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303310528 1067838775 /nfs/dbraw/zinc/83/87/75/1067838775.db2.gz NLPYCMXQHFIWPQ-LEWJYISDSA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001303310503 1067838803 /nfs/dbraw/zinc/83/88/03/1067838803.db2.gz NCEUQQVZDNIYCA-NJDAHSKKSA-N 1 1 495.734 3.331 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001303310912 1067839304 /nfs/dbraw/zinc/83/93/04/1067839304.db2.gz MQLPSUMKNFUTBN-QFIPXVFZSA-N 1 1 466.051 3.299 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(F)F)CC1 ZINC001303311102 1067839970 /nfs/dbraw/zinc/83/99/70/1067839970.db2.gz WJAWLBXIMARATK-UHFFFAOYSA-N 1 1 478.592 3.002 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 ZINC001303311138 1067840017 /nfs/dbraw/zinc/84/00/17/1067840017.db2.gz WNBUCRSJLSTGLA-IBGZPJMESA-N 1 1 464.655 3.084 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303311479 1067840376 /nfs/dbraw/zinc/84/03/76/1067840376.db2.gz ZLDNIDLPGVVMGE-UHFFFAOYSA-N 1 1 460.598 3.079 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001303312083 1067841671 /nfs/dbraw/zinc/84/16/71/1067841671.db2.gz YDMQWMFRAAGDDT-NRFANRHFSA-N 1 1 488.702 3.144 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001303312083 1067841678 /nfs/dbraw/zinc/84/16/78/1067841678.db2.gz YDMQWMFRAAGDDT-NRFANRHFSA-N 1 1 488.702 3.144 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001304759316 1067844827 /nfs/dbraw/zinc/84/48/27/1067844827.db2.gz JDWUZMIFCFNBAC-YKSBVNFPSA-N 1 1 471.675 3.491 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3CCCC3CCOCC3)CC2)C1 ZINC001303318415 1067849684 /nfs/dbraw/zinc/84/96/84/1067849684.db2.gz RFNRZHBGQCCLGL-XMMPIXPASA-N 1 1 490.737 3.305 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc([C@H]4CCCO4)n3CCCC(C)(C)C)CC2)C1 ZINC001303318654 1067850910 /nfs/dbraw/zinc/85/09/10/1067850910.db2.gz XJWMPCRHWVNKHI-FGZHOGPDSA-N 1 1 462.683 3.187 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](Cc4ccccc4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304764060 1067852505 /nfs/dbraw/zinc/85/25/05/1067852505.db2.gz QQXRYNYWARPATP-XMMPIXPASA-N 1 1 465.646 3.318 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001303329774 1067858254 /nfs/dbraw/zinc/85/82/54/1067858254.db2.gz JSWFQHWTJAQBEO-IRXDYDNUSA-N 1 1 478.588 3.219 20 0 JGADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)C)n3CCCCn3cc[nH+]c3C)CCO2)n1 ZINC001304771128 1067862510 /nfs/dbraw/zinc/86/25/10/1067862510.db2.gz ZWLXVSJKXJSJJA-QFIPXVFZSA-N 1 1 454.623 3.181 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001303335763 1067865346 /nfs/dbraw/zinc/86/53/46/1067865346.db2.gz WCUZEKHQYVLSAU-JOCHJYFZSA-N 1 1 478.645 3.089 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC2CCOCC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001303337472 1067867408 /nfs/dbraw/zinc/86/74/08/1067867408.db2.gz RAZOITUSSVQJHA-HXUWFJFHSA-N 1 1 458.607 3.099 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001303341786 1067870688 /nfs/dbraw/zinc/87/06/88/1067870688.db2.gz GGIJIDIROWRCQD-ARWLJKHPSA-N 1 1 472.609 3.220 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001303341786 1067870697 /nfs/dbraw/zinc/87/06/97/1067870697.db2.gz GGIJIDIROWRCQD-ARWLJKHPSA-N 1 1 472.609 3.220 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303352711 1067879518 /nfs/dbraw/zinc/87/95/18/1067879518.db2.gz JPSSYWIOEUAGPC-ZJSXRUAMSA-N 1 1 481.689 3.072 20 0 JGADMO Cc1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001304800505 1067884801 /nfs/dbraw/zinc/88/48/01/1067884801.db2.gz XLXFLOZUAKHHSR-LJQANCHMSA-N 1 1 474.535 3.466 20 0 JGADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1cccc(C(C)(C)O)c1 ZINC001304802630 1067885426 /nfs/dbraw/zinc/88/54/26/1067885426.db2.gz QKMOPKHICTUSRR-NZQKXSOJSA-N 1 1 451.619 3.115 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303359286 1067886570 /nfs/dbraw/zinc/88/65/70/1067886570.db2.gz RZKFXOSDLQERMM-QHCPKHFHSA-N 1 1 496.578 3.078 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303363843 1067890686 /nfs/dbraw/zinc/89/06/86/1067890686.db2.gz TWNVUOGQDXQWMC-CALCHBBNSA-N 1 1 474.572 3.084 20 0 JGADMO COc1ccc(C[C@](C)(CO)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001303364429 1067891828 /nfs/dbraw/zinc/89/18/28/1067891828.db2.gz RMGHXLQVYDSVCH-BKMJKUGQSA-N 1 1 452.595 3.416 20 0 JGADMO Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001304821909 1067891827 /nfs/dbraw/zinc/89/18/27/1067891827.db2.gz GLNKOYSDFRJXCI-QFBILLFUSA-N 1 1 452.372 3.218 20 0 JGADMO Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001304822652 1067892262 /nfs/dbraw/zinc/89/22/62/1067892262.db2.gz NMBKGMBJJCFDLE-JQVVWYNYSA-N 1 1 478.682 3.461 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303365503 1067892584 /nfs/dbraw/zinc/89/25/84/1067892584.db2.gz PUSVSRUXUNGAFD-HSZRJFAPSA-N 1 1 482.673 3.413 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCN1CCc2sccc2C1 ZINC001303366782 1067895734 /nfs/dbraw/zinc/89/57/34/1067895734.db2.gz YGRBVLVYTDSEGB-UHFFFAOYSA-N 1 1 487.718 3.093 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001303367867 1067897188 /nfs/dbraw/zinc/89/71/88/1067897188.db2.gz DLHWAEHMGKQURK-UFPGJGBJSA-N 1 1 457.615 3.383 20 0 JGADMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCn1cc(Br)cn1 ZINC001304837032 1067898166 /nfs/dbraw/zinc/89/81/66/1067898166.db2.gz FJQFMGOARKROAZ-AEFFLSMTSA-N 1 1 450.429 3.337 20 0 JGADMO Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001304837063 1067898320 /nfs/dbraw/zinc/89/83/20/1067898320.db2.gz FSCDJVSHFGBMLM-GOTSBHOMSA-N 1 1 484.645 3.229 20 0 JGADMO Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001304837063 1067898329 /nfs/dbraw/zinc/89/83/29/1067898329.db2.gz FSCDJVSHFGBMLM-GOTSBHOMSA-N 1 1 484.645 3.229 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001303370324 1067900148 /nfs/dbraw/zinc/90/01/48/1067900148.db2.gz YCZRPDHTJLTYML-CTNGQTDRSA-N 1 1 499.660 3.040 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1C(F)(F)F ZINC001303371337 1067900756 /nfs/dbraw/zinc/90/07/56/1067900756.db2.gz UVIQRWYDJVVBER-NJAFHUGGSA-N 1 1 456.509 3.208 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1C(F)(F)F ZINC001303371337 1067900760 /nfs/dbraw/zinc/90/07/60/1067900760.db2.gz UVIQRWYDJVVBER-NJAFHUGGSA-N 1 1 456.509 3.208 20 0 JGADMO Cc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304845221 1067901061 /nfs/dbraw/zinc/90/10/61/1067901061.db2.gz NAZSKPGBWLUEIK-KDURUIRLSA-N 1 1 489.064 3.480 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(Nc3ccccc3Cl)CC2)n1CC[NH+]1CCSCC1 ZINC001303371844 1067901169 /nfs/dbraw/zinc/90/11/69/1067901169.db2.gz AZQXJJBRJNYSJZ-UHFFFAOYSA-N 1 1 492.093 3.199 20 0 JGADMO Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001304847419 1067902138 /nfs/dbraw/zinc/90/21/38/1067902138.db2.gz KFPRBYCVYAXPHO-UHFFFAOYSA-N 1 1 463.508 3.022 20 0 JGADMO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001304851633 1067904307 /nfs/dbraw/zinc/90/43/07/1067904307.db2.gz VWXREVHEIDTSIY-XXBNENTESA-N 1 1 484.645 3.037 20 0 JGADMO Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001304853367 1067905432 /nfs/dbraw/zinc/90/54/32/1067905432.db2.gz UKLMAQFPMBDTGX-CTNGQTDRSA-N 1 1 458.655 3.344 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303374217 1067905795 /nfs/dbraw/zinc/90/57/95/1067905795.db2.gz SUAHBEOIKTWPJV-INIZCTEOSA-N 1 1 476.572 3.225 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304857161 1067906789 /nfs/dbraw/zinc/90/67/89/1067906789.db2.gz ASYGPEBTHBSKFW-QFIPXVFZSA-N 1 1 481.689 3.020 20 0 JGADMO C[NH+](C)[C@H](C(=O)N[C@@H](CO)c1ccccc1I)c1ccc(Cl)cc1 ZINC001304874395 1067917265 /nfs/dbraw/zinc/91/72/65/1067917265.db2.gz CDDFMYKLWSCEIJ-IRXDYDNUSA-N 1 1 458.727 3.397 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(O)cc1 ZINC001303390050 1067919103 /nfs/dbraw/zinc/91/91/03/1067919103.db2.gz XWMQKZNAGAWMJG-UNMCSNQZSA-N 1 1 468.646 3.455 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875730 1067919570 /nfs/dbraw/zinc/91/95/70/1067919570.db2.gz XBDOGHYBNVSXMH-DCXXXQMHSA-N 1 1 460.623 3.126 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875730 1067919577 /nfs/dbraw/zinc/91/95/77/1067919577.db2.gz XBDOGHYBNVSXMH-DCXXXQMHSA-N 1 1 460.623 3.126 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(Cc4ccccc4C)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001304876613 1067920506 /nfs/dbraw/zinc/92/05/06/1067920506.db2.gz RTDZSUPJNZRGQD-FQEVSTJZSA-N 1 1 466.634 3.092 20 0 JGADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCc2ccccc2N2CCOCC2)CCOCC1 ZINC001303392914 1067921607 /nfs/dbraw/zinc/92/16/07/1067921607.db2.gz LBZNTINLSMBFPP-UHFFFAOYSA-N 1 1 451.611 3.253 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001303396395 1067923760 /nfs/dbraw/zinc/92/37/60/1067923760.db2.gz CNOXJUGXHMFJNE-RUZDIDTESA-N 1 1 489.064 3.432 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001303396748 1067924434 /nfs/dbraw/zinc/92/44/34/1067924434.db2.gz RRXRDTYXEAOBLF-FQEVSTJZSA-N 1 1 485.652 3.393 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303397483 1067926384 /nfs/dbraw/zinc/92/63/84/1067926384.db2.gz KKYDHUAYRXDBKI-XJUOHMSHSA-N 1 1 498.672 3.272 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303397483 1067926387 /nfs/dbraw/zinc/92/63/87/1067926387.db2.gz KKYDHUAYRXDBKI-XJUOHMSHSA-N 1 1 498.672 3.272 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304885389 1067929362 /nfs/dbraw/zinc/92/93/62/1067929362.db2.gz WUBMLABEEAXVNX-SFHVURJKSA-N 1 1 453.591 3.006 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304885502 1067929746 /nfs/dbraw/zinc/92/97/46/1067929746.db2.gz ZWLDSIQPWVDLOQ-HDICACEKSA-N 1 1 467.618 3.393 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303404271 1067932923 /nfs/dbraw/zinc/93/29/23/1067932923.db2.gz RJNUEOIMXPLHSG-OAQYLSRUSA-N 1 1 471.625 3.002 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001303407874 1067934532 /nfs/dbraw/zinc/93/45/32/1067934532.db2.gz KFYXQMMTKSGFFE-SFHVURJKSA-N 1 1 486.617 3.407 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](c1ccco1)N(C)C ZINC001303408221 1067934896 /nfs/dbraw/zinc/93/48/96/1067934896.db2.gz PUPKKMGPKCSMGN-IFMALSPDSA-N 1 1 479.629 3.023 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCC(C)(C)C1CC1 ZINC001303408374 1067935236 /nfs/dbraw/zinc/93/52/36/1067935236.db2.gz VDTADZFVIGNXKU-QFIPXVFZSA-N 1 1 468.646 3.098 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCCC(C)(C)C ZINC001303409711 1067936051 /nfs/dbraw/zinc/93/60/51/1067936051.db2.gz JSPVOFXJULXIID-UHFFFAOYSA-N 1 1 456.635 3.444 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCCN(C)c1ccccc1 ZINC001303409341 1067936063 /nfs/dbraw/zinc/93/60/63/1067936063.db2.gz OPUOLEBDEHZGRL-QFIPXVFZSA-N 1 1 453.635 3.007 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CC1CCCCC1 ZINC001303409292 1067936215 /nfs/dbraw/zinc/93/62/15/1067936215.db2.gz GJXNURWPDPDEKR-UHFFFAOYSA-N 1 1 454.619 3.198 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3cccs3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303410319 1067936528 /nfs/dbraw/zinc/93/65/28/1067936528.db2.gz SUGLAMZSVUNIFA-OAQYLSRUSA-N 1 1 487.718 3.455 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCOCc1ccccc1 ZINC001303410341 1067936666 /nfs/dbraw/zinc/93/66/66/1067936666.db2.gz TYBALAWRVLSAND-UHFFFAOYSA-N 1 1 468.627 3.017 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001303410836 1067937282 /nfs/dbraw/zinc/93/72/82/1067937282.db2.gz ZRPPHSBKYOJSLH-DNQXCXABSA-N 1 1 498.672 3.131 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303413301 1067939126 /nfs/dbraw/zinc/93/91/26/1067939126.db2.gz BUQODHPHZQPCPK-FPOVZHCZSA-N 1 1 488.539 3.168 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303414626 1067941615 /nfs/dbraw/zinc/94/16/15/1067941615.db2.gz MITZJANSDYGHLF-FPOVZHCZSA-N 1 1 470.549 3.029 20 0 JGADMO Cc1nsc(N2CCCN(c3nnc(CC(C)(C)C)n3CCCn3cc[nH+]c3C)CC2)n1 ZINC001304902349 1067946376 /nfs/dbraw/zinc/94/63/76/1067946376.db2.gz ZDEJWJXTCZGJGC-UHFFFAOYSA-N 1 1 457.652 3.339 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(C3CCCC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304911111 1067954500 /nfs/dbraw/zinc/95/45/00/1067954500.db2.gz KNDLHLXBXFSVOV-NSHGMRRFSA-N 1 1 451.681 3.316 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912063 1067955601 /nfs/dbraw/zinc/95/56/01/1067955601.db2.gz ONMUUVDMWYCPOE-VWPQPMDRSA-N 1 1 474.694 3.426 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001303435461 1067958476 /nfs/dbraw/zinc/95/84/76/1067958476.db2.gz RZKUMENQEDNVPQ-ZWKOTPCHSA-N 1 1 458.582 3.002 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCOCC1 ZINC001304918837 1067961147 /nfs/dbraw/zinc/96/11/47/1067961147.db2.gz PAAUVOHRNJGADP-BRWVUGGUSA-N 1 1 465.440 3.249 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303440962 1067963236 /nfs/dbraw/zinc/96/32/36/1067963236.db2.gz MCQJGIJIPYQUDM-NZQKXSOJSA-N 1 1 484.645 3.406 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304922513 1067963712 /nfs/dbraw/zinc/96/37/12/1067963712.db2.gz ASVAJQFDWKICDZ-MHTWAQMVSA-N 1 1 492.690 3.233 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303443486 1067965396 /nfs/dbraw/zinc/96/53/96/1067965396.db2.gz RZJGAKIGQBMPGF-UHFFFAOYSA-N 1 1 460.598 3.079 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)C1 ZINC001304923770 1067965915 /nfs/dbraw/zinc/96/59/15/1067965915.db2.gz FPPRSKJSGZXHPE-HDICACEKSA-N 1 1 481.613 3.483 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924309 1067967031 /nfs/dbraw/zinc/96/70/31/1067967031.db2.gz IJGOZKHAPXYLDQ-LILSUDLASA-N 1 1 480.723 3.273 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926366 1067969875 /nfs/dbraw/zinc/96/98/75/1067969875.db2.gz RIEUMAINDXLXOV-CALCHBBNSA-N 1 1 494.482 3.365 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001304926525 1067970332 /nfs/dbraw/zinc/97/03/32/1067970332.db2.gz RUOUUJOJRWTJLW-NTDBWNAOSA-N 1 1 469.556 3.203 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304926789 1067971139 /nfs/dbraw/zinc/97/11/39/1067971139.db2.gz HLVNVXJSKPMRCK-ZDXQCDESSA-N 1 1 470.662 3.262 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(Cc3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304926787 1067971208 /nfs/dbraw/zinc/97/12/08/1067971208.db2.gz HLVNVXJSKPMRCK-AOHZBQACSA-N 1 1 470.662 3.262 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCNC(=O)C2)C1 ZINC001304927435 1067973404 /nfs/dbraw/zinc/97/34/04/1067973404.db2.gz JNBZULGPXOFCGI-CALCHBBNSA-N 1 1 495.455 3.468 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)C1 ZINC001304927556 1067973918 /nfs/dbraw/zinc/97/39/18/1067973918.db2.gz VVMQOBNUZVDBTG-HBMCJLEFSA-N 1 1 459.683 3.181 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304927950 1067974794 /nfs/dbraw/zinc/97/47/94/1067974794.db2.gz YWQBCRQYVJFDCW-HDICACEKSA-N 1 1 468.067 3.447 20 0 JGADMO CC(C)NC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303455080 1067975180 /nfs/dbraw/zinc/97/51/80/1067975180.db2.gz XKJQQANXLCXRCM-HDICACEKSA-N 1 1 495.093 3.294 20 0 JGADMO CC(C)NC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303455080 1067975184 /nfs/dbraw/zinc/97/51/84/1067975184.db2.gz XKJQQANXLCXRCM-HDICACEKSA-N 1 1 495.093 3.294 20 0 JGADMO CC(C)[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928174 1067975748 /nfs/dbraw/zinc/97/57/48/1067975748.db2.gz UDRFQZCPAPNVTJ-MHTWAQMVSA-N 1 1 468.712 3.129 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928479 1067976206 /nfs/dbraw/zinc/97/62/06/1067976206.db2.gz OARMKMBQERHZIH-JSXRDJHFSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304929673 1067978401 /nfs/dbraw/zinc/97/84/01/1067978401.db2.gz XYHKCJYJMRPRMJ-XPWALMASSA-N 1 1 476.710 3.435 20 0 JGADMO C[C@@H]1C[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001304932558 1067981626 /nfs/dbraw/zinc/98/16/26/1067981626.db2.gz KIYWCQJWHBVJHG-ZJPYXAASSA-N 1 1 495.466 3.396 20 0 JGADMO C[C@@H]1C[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001304932558 1067981630 /nfs/dbraw/zinc/98/16/30/1067981630.db2.gz KIYWCQJWHBVJHG-ZJPYXAASSA-N 1 1 495.466 3.396 20 0 JGADMO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001303466525 1067985703 /nfs/dbraw/zinc/98/57/03/1067985703.db2.gz QWVMXOYPIQZUNI-WOJBJXKFSA-N 1 1 460.692 3.397 20 0 JGADMO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303466523 1067985742 /nfs/dbraw/zinc/98/57/42/1067985742.db2.gz QWVMXOYPIQZUNI-BGYRXZFFSA-N 1 1 460.692 3.397 20 0 JGADMO C[C@@H]1C[C@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001304938997 1067988242 /nfs/dbraw/zinc/98/82/42/1067988242.db2.gz PMBIZSPXQJBPLQ-YZGWKJHDSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@H]1C[C@@H](Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001304942579 1067993905 /nfs/dbraw/zinc/99/39/05/1067993905.db2.gz NLOSJYQYEFVFAJ-VXKWHMMOSA-N 1 1 471.646 3.262 20 0 JGADMO C[C@H]1C[C@@H](Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001304942579 1067993915 /nfs/dbraw/zinc/99/39/15/1067993915.db2.gz NLOSJYQYEFVFAJ-VXKWHMMOSA-N 1 1 471.646 3.262 20 0 JGADMO C[C@@H]1C[C@@H](Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001304942580 1067993933 /nfs/dbraw/zinc/99/39/33/1067993933.db2.gz NLOSJYQYEFVFAJ-YADHBBJMSA-N 1 1 471.646 3.262 20 0 JGADMO C[C@@H]1C[C@@H](Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001304942580 1067993942 /nfs/dbraw/zinc/99/39/42/1067993942.db2.gz NLOSJYQYEFVFAJ-YADHBBJMSA-N 1 1 471.646 3.262 20 0 JGADMO C[C@H]1C[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304946326 1067998036 /nfs/dbraw/zinc/99/80/36/1067998036.db2.gz CAKFIICZIRAYOS-HOTGVXAUSA-N 1 1 465.440 3.249 20 0 JGADMO C[C@H]1C[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304946326 1067998042 /nfs/dbraw/zinc/99/80/42/1067998042.db2.gz CAKFIICZIRAYOS-HOTGVXAUSA-N 1 1 465.440 3.249 20 0 JGADMO C[C@@H]1C[C@H](N(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304947059 1067998618 /nfs/dbraw/zinc/99/86/18/1067998618.db2.gz FJMFWNDAHZHOJJ-IFMALSPDSA-N 1 1 490.718 3.247 20 0 JGADMO C[C@@H]1C[C@H](N(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001304947833 1067999110 /nfs/dbraw/zinc/99/91/10/1067999110.db2.gz HHYHTMHYNMBXSA-MISYRCLQSA-N 1 1 494.562 3.297 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303480218 1068000001 /nfs/dbraw/zinc/00/00/01/1068000001.db2.gz AQRSRMAAYPHGPS-OHUGHZGNSA-N 1 1 475.634 3.436 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303480218 1068000009 /nfs/dbraw/zinc/00/00/09/1068000009.db2.gz AQRSRMAAYPHGPS-OHUGHZGNSA-N 1 1 475.634 3.436 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304957270 1068003002 /nfs/dbraw/zinc/00/30/02/1068003002.db2.gz DIXVSTISKULZCQ-AABGKKOBSA-N 1 1 488.702 3.350 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCC[N@@H+](C)C1CCCCC1 ZINC001304957304 1068003463 /nfs/dbraw/zinc/00/34/63/1068003463.db2.gz DKZKBSDJTMBKHI-QYZOEREBSA-N 1 1 454.685 3.168 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001304958471 1068003885 /nfs/dbraw/zinc/00/38/85/1068003885.db2.gz ICIXPCAITQUDAZ-HXKBJWFLSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCCCS2)CCOC1 ZINC001303482161 1068004101 /nfs/dbraw/zinc/00/41/01/1068004101.db2.gz QDKLOHPDUDAGIK-PXDATVDWSA-N 1 1 495.734 3.399 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303485973 1068008525 /nfs/dbraw/zinc/00/85/25/1068008525.db2.gz WWKKIHHDODTHQG-GHTZIAJQSA-N 1 1 477.572 3.064 20 0 JGADMO Cc1cc(O[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)ccc1C(C)C ZINC001303486378 1068008801 /nfs/dbraw/zinc/00/88/01/1068008801.db2.gz MLVYICPMBJPNIG-OFVILXPXSA-N 1 1 451.611 3.387 20 0 JGADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 ZINC001303486599 1068008985 /nfs/dbraw/zinc/00/89/85/1068008985.db2.gz NULLCBVEOSOKEM-VWLOTQADSA-N 1 1 450.627 3.034 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303489262 1068012953 /nfs/dbraw/zinc/01/29/53/1068012953.db2.gz JQRXTCJDKSRSCG-SGIRGMQISA-N 1 1 463.667 3.302 20 0 JGADMO CC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304973966 1068013867 /nfs/dbraw/zinc/01/38/67/1068013867.db2.gz DDKJRZYLASVINV-QZNJRLLKSA-N 1 1 460.667 3.477 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001303489570 1068014000 /nfs/dbraw/zinc/01/40/00/1068014000.db2.gz LDPXIEXUSMZWMK-SFGWALBWSA-N 1 1 489.583 3.349 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001304978221 1068016658 /nfs/dbraw/zinc/01/66/58/1068016658.db2.gz VVBDBIUPJPIJSX-OYRHEFFESA-N 1 1 489.709 3.407 20 0 JGADMO Cc1c(F)c(C(F)(F)F)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303491752 1068016667 /nfs/dbraw/zinc/01/66/67/1068016667.db2.gz LBCZRVGXNUUNMH-IBGZPJMESA-N 1 1 451.464 3.268 20 0 JGADMO Cc1nc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)s2)cs1 ZINC001303492172 1068017786 /nfs/dbraw/zinc/01/77/86/1068017786.db2.gz LVSZUGXUWRTMKQ-SFHVURJKSA-N 1 1 454.621 3.295 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(CO)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303496554 1068023136 /nfs/dbraw/zinc/02/31/36/1068023136.db2.gz XFEYGEBZMJLAHX-LVXARBLLSA-N 1 1 471.646 3.048 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303497283 1068024753 /nfs/dbraw/zinc/02/47/53/1068024753.db2.gz QWQVIIAANDPWDM-SANMLTNESA-N 1 1 493.693 3.213 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303497283 1068024768 /nfs/dbraw/zinc/02/47/68/1068024768.db2.gz QWQVIIAANDPWDM-SANMLTNESA-N 1 1 493.693 3.213 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@]4(CCSC4)C3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303497471 1068025321 /nfs/dbraw/zinc/02/53/21/1068025321.db2.gz VCCKCRAOJDOTIO-XZOQPEGZSA-N 1 1 451.681 3.382 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303501847 1068030632 /nfs/dbraw/zinc/03/06/32/1068030632.db2.gz PLINZKSACYYPLO-XUZZJYLKSA-N 1 1 459.639 3.124 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCOC1 ZINC001303502264 1068031730 /nfs/dbraw/zinc/03/17/30/1068031730.db2.gz MDZVWGTYBJVEMF-BKMJKUGQSA-N 1 1 476.710 3.217 20 0 JGADMO C[C@H]1CCC[C@@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304993340 1068034986 /nfs/dbraw/zinc/03/49/86/1068034986.db2.gz AQBALFKKTATZJY-RXFWQSSRSA-N 1 1 473.637 3.354 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(c4cc(F)ccc4F)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303503620 1068035254 /nfs/dbraw/zinc/03/52/54/1068035254.db2.gz SXCCKRHVFIXTPE-VWLOTQADSA-N 1 1 492.615 3.264 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001303505415 1068038676 /nfs/dbraw/zinc/03/86/76/1068038676.db2.gz KOMDCELKRFUDOB-OFVILXPXSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001303506677 1068040624 /nfs/dbraw/zinc/04/06/24/1068040624.db2.gz QAIBKGUDNXNLKW-BWKNWUBXSA-N 1 1 463.667 3.444 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCSC(C)(C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303509135 1068042673 /nfs/dbraw/zinc/04/26/73/1068042673.db2.gz BSPIWMPBDCQRLK-HYBUGGRVSA-N 1 1 481.707 3.151 20 0 JGADMO C[C@@H]1CCC[C@]1(O)Cn1c(COc2ccccc2F)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305001511 1068044193 /nfs/dbraw/zinc/04/41/93/1068044193.db2.gz QKUCABMMXSGOLB-IBVKSMDESA-N 1 1 489.636 3.342 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303510829 1068046315 /nfs/dbraw/zinc/04/63/15/1068046315.db2.gz QANKGXARKGKMDR-OOICKAIWSA-N 1 1 481.707 3.150 20 0 JGADMO C[C@H]1CCCC[C@H]1OCCn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305005130 1068047339 /nfs/dbraw/zinc/04/73/39/1068047339.db2.gz QIEBYPWXZSTTQB-RBBKRZOGSA-N 1 1 473.666 3.069 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1 ZINC001305013743 1068054421 /nfs/dbraw/zinc/05/44/21/1068054421.db2.gz MCTZLGVTMVIYFC-FQEVSTJZSA-N 1 1 474.675 3.450 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N(C)CCS(C)(=O)=O ZINC001305014089 1068054984 /nfs/dbraw/zinc/05/49/84/1068054984.db2.gz DKADIQVUXOAWBU-KRWDZBQOSA-N 1 1 454.040 3.344 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001305015303 1068057135 /nfs/dbraw/zinc/05/71/35/1068057135.db2.gz VQOZWRNATYSJJE-IBGZPJMESA-N 1 1 470.666 3.210 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)C1 ZINC001305015486 1068057747 /nfs/dbraw/zinc/05/77/47/1068057747.db2.gz XDFBNTSHYNPXIW-VQTJNVASSA-N 1 1 469.634 3.177 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001305015354 1068058160 /nfs/dbraw/zinc/05/81/60/1068058160.db2.gz DQPJQNODXLTPAU-IBGZPJMESA-N 1 1 455.651 3.178 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1)C(F)(F)F ZINC001305015805 1068058376 /nfs/dbraw/zinc/05/83/76/1068058376.db2.gz XDSJYBKXXBCRRU-OALUTQOASA-N 1 1 482.599 3.406 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001303530509 1068059117 /nfs/dbraw/zinc/05/91/17/1068059117.db2.gz FIAGTKJTRKXWNK-HKUYNNGSSA-N 1 1 482.000 3.089 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001303530509 1068059130 /nfs/dbraw/zinc/05/91/30/1068059130.db2.gz FIAGTKJTRKXWNK-HKUYNNGSSA-N 1 1 482.000 3.089 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(CC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001305015933 1068059312 /nfs/dbraw/zinc/05/93/12/1068059312.db2.gz YQGWIFROODQQHY-CTNGQTDRSA-N 1 1 487.693 3.336 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NC(C)(C)C)C1 ZINC001305016183 1068059456 /nfs/dbraw/zinc/05/94/56/1068059456.db2.gz ZKCLZKJNOAVJHQ-HKBOAZHASA-N 1 1 460.667 3.178 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001305016391 1068060056 /nfs/dbraw/zinc/06/00/56/1068060056.db2.gz IBBLEZRWYMEDJI-GOSISDBHSA-N 1 1 495.093 3.381 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001305017186 1068060397 /nfs/dbraw/zinc/06/03/97/1068060397.db2.gz DFWHJDBVCSWZJQ-BVZFJXPGSA-N 1 1 472.609 3.208 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305017339 1068061270 /nfs/dbraw/zinc/06/12/70/1068061270.db2.gz LASRBIXDMDLOOJ-CABCVRRESA-N 1 1 466.428 3.000 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001303532456 1068061979 /nfs/dbraw/zinc/06/19/79/1068061979.db2.gz ZQFGBDFSHFAIHB-QFIPXVFZSA-N 1 1 491.080 3.255 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001303532456 1068061992 /nfs/dbraw/zinc/06/19/92/1068061992.db2.gz ZQFGBDFSHFAIHB-QFIPXVFZSA-N 1 1 491.080 3.255 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001305018179 1068062036 /nfs/dbraw/zinc/06/20/36/1068062036.db2.gz STQMUUBQQODIPJ-GOSISDBHSA-N 1 1 466.552 3.422 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001303532456 1068062006 /nfs/dbraw/zinc/06/20/06/1068062006.db2.gz ZQFGBDFSHFAIHB-QFIPXVFZSA-N 1 1 491.080 3.255 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001305018200 1068062403 /nfs/dbraw/zinc/06/24/03/1068062403.db2.gz HKVFCQRMZYDLAC-NHCUHLMSSA-N 1 1 489.709 3.313 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001305018228 1068063142 /nfs/dbraw/zinc/06/31/42/1068063142.db2.gz HNUMSHKZDZWVAX-RTWAWAEBSA-N 1 1 452.647 3.241 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCO1 ZINC001303535462 1068063773 /nfs/dbraw/zinc/06/37/73/1068063773.db2.gz DSXBHLNHKDGWPP-RPWUZVMVSA-N 1 1 485.673 3.112 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001305018712 1068064179 /nfs/dbraw/zinc/06/41/79/1068064179.db2.gz IXJGFQRZZUMITQ-YADHBBJMSA-N 1 1 476.710 3.087 20 0 JGADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1O ZINC001305018968 1068064965 /nfs/dbraw/zinc/06/49/65/1068064965.db2.gz PBDGXYAORVWGLH-KNKQGSTJSA-N 1 1 489.064 3.333 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305018948 1068065060 /nfs/dbraw/zinc/06/50/60/1068065060.db2.gz UZZVSMDVNWZLLI-HKBOAZHASA-N 1 1 476.666 3.492 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(Cc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001305019730 1068065825 /nfs/dbraw/zinc/06/58/25/1068065825.db2.gz XIWJVMLBQLZQJM-FQEVSTJZSA-N 1 1 456.635 3.364 20 0 JGADMO C[C@@H]1CCCC[N@@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001305019713 1068066013 /nfs/dbraw/zinc/06/60/13/1068066013.db2.gz RGOQQKXWOZJZBI-YADHBBJMSA-N 1 1 494.750 3.145 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001305019713 1068066028 /nfs/dbraw/zinc/06/60/28/1068066028.db2.gz RGOQQKXWOZJZBI-YADHBBJMSA-N 1 1 494.750 3.145 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)C1 ZINC001305019916 1068066666 /nfs/dbraw/zinc/06/66/66/1068066666.db2.gz OHWSRKLCMBFDMB-WIYYLYMNSA-N 1 1 487.693 3.144 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305019897 1068066960 /nfs/dbraw/zinc/06/69/60/1068066960.db2.gz OBDGFIHWHSYGHW-MJGOQNOKSA-N 1 1 465.689 3.064 20 0 JGADMO CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001303538337 1068067433 /nfs/dbraw/zinc/06/74/33/1068067433.db2.gz DDCVQWSZRIXXTJ-XLIONFOSSA-N 1 1 495.466 3.398 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1 ZINC001305020116 1068067711 /nfs/dbraw/zinc/06/77/11/1068067711.db2.gz SXLUKLQRWUXLHV-IBGZPJMESA-N 1 1 460.648 3.060 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 ZINC001305020324 1068068286 /nfs/dbraw/zinc/06/82/86/1068068286.db2.gz NWUSFHNCUODMGE-PMACEKPBSA-N 1 1 494.706 3.183 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001305020900 1068069448 /nfs/dbraw/zinc/06/94/48/1068069448.db2.gz SKROYAPUMFDWDO-QZTJIDSGSA-N 1 1 474.600 3.325 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCNC(=O)CC2)C1 ZINC001305021361 1068070871 /nfs/dbraw/zinc/07/08/71/1068070871.db2.gz VJIBQYYIMWLPSK-NRFANRHFSA-N 1 1 452.647 3.290 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305021691 1068071268 /nfs/dbraw/zinc/07/12/68/1068071268.db2.gz WTNDTQKGFXHDEH-QUCCMNQESA-N 1 1 493.649 3.130 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1 ZINC001305021752 1068071381 /nfs/dbraw/zinc/07/13/81/1068071381.db2.gz ZRJGCLVHLSIABX-PMACEKPBSA-N 1 1 454.610 3.214 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1 ZINC001305021744 1068071509 /nfs/dbraw/zinc/07/15/09/1068071509.db2.gz ZOHPGBAJIRCIHP-UNMCSNQZSA-N 1 1 459.660 3.471 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305021688 1068071574 /nfs/dbraw/zinc/07/15/74/1068071574.db2.gz WTNDTQKGFXHDEH-AZUAARDMSA-N 1 1 493.649 3.130 20 0 JGADMO CC(C)OCCCCn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001303543581 1068071963 /nfs/dbraw/zinc/07/19/63/1068071963.db2.gz SGQBNQOAZISFAP-OAQYLSRUSA-N 1 1 456.635 3.159 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001305021793 1068072046 /nfs/dbraw/zinc/07/20/46/1068072046.db2.gz XMJKGNSDTRJMAD-CTNGQTDRSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(N3CC[C@]4(CCS(=O)(=O)C4)C3)nnc2C(C)(C)C)C1 ZINC001305021763 1068072167 /nfs/dbraw/zinc/07/21/67/1068072167.db2.gz WZVUNJNQIRTQRD-MBSDFSHPSA-N 1 1 451.681 3.101 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305022702 1068073986 /nfs/dbraw/zinc/07/39/86/1068073986.db2.gz MOZDKCCDQPIVPW-QZTJIDSGSA-N 1 1 493.578 3.355 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305022705 1068074114 /nfs/dbraw/zinc/07/41/14/1068074114.db2.gz MOZDKCCDQPIVPW-ROUUACIJSA-N 1 1 493.578 3.355 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305022834 1068074173 /nfs/dbraw/zinc/07/41/73/1068074173.db2.gz OEFIAVRKHKTTGC-MSOLQXFVSA-N 1 1 463.623 3.218 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023224 1068075167 /nfs/dbraw/zinc/07/51/67/1068075167.db2.gz BATUDDPAXTZHTA-NCYKPQTJSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305023214 1068075253 /nfs/dbraw/zinc/07/52/53/1068075253.db2.gz QTDNTPVFCPWDRR-IBGZPJMESA-N 1 1 488.706 3.100 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001305023027 1068075296 /nfs/dbraw/zinc/07/52/96/1068075296.db2.gz PGLDIMIRKNRPID-RRQZXNHTSA-N 1 1 460.667 3.381 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001305023028 1068075394 /nfs/dbraw/zinc/07/53/94/1068075394.db2.gz PGLDIMIRKNRPID-WYEJZRMESA-N 1 1 460.667 3.381 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023320 1068075774 /nfs/dbraw/zinc/07/57/74/1068075774.db2.gz GJZIJYWULNSGHS-RTBURBONSA-N 1 1 457.623 3.297 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cc(F)ccc3Br)nnc2N2CCNC(=O)C2)C1 ZINC001305023288 1068075824 /nfs/dbraw/zinc/07/58/24/1068075824.db2.gz QVZMJVWYYLNCSN-OAHLLOKOSA-N 1 1 493.425 3.293 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cc(F)ccc3Br)nnc2N2CCNC(=O)C2)C1 ZINC001305023286 1068075904 /nfs/dbraw/zinc/07/59/04/1068075904.db2.gz QVZMJVWYYLNCSN-HNNXBMFYSA-N 1 1 493.425 3.293 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023380 1068075985 /nfs/dbraw/zinc/07/59/85/1068075985.db2.gz GYRWVDSIDOMOOO-VJBWXMMDSA-N 1 1 473.710 3.045 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001305023354 1068076211 /nfs/dbraw/zinc/07/62/11/1068076211.db2.gz RLKXUSBNOGDGIF-QZTJIDSGSA-N 1 1 457.648 3.378 20 0 JGADMO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023610 1068076310 /nfs/dbraw/zinc/07/63/10/1068076310.db2.gz CGAKMVLKEZEUKK-HKBOAZHASA-N 1 1 482.677 3.234 20 0 JGADMO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023615 1068076751 /nfs/dbraw/zinc/07/67/51/1068076751.db2.gz CGAKMVLKEZEUKK-QHAWAJNXSA-N 1 1 482.677 3.234 20 0 JGADMO CC(C)OCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001303550319 1068077082 /nfs/dbraw/zinc/07/70/82/1068077082.db2.gz NHLQMFWUBUQZGI-FYYLOGMGSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)OCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303550319 1068077096 /nfs/dbraw/zinc/07/70/96/1068077096.db2.gz NHLQMFWUBUQZGI-FYYLOGMGSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305024239 1068078449 /nfs/dbraw/zinc/07/84/49/1068078449.db2.gz XEEBFCKTVPBCET-FQEVSTJZSA-N 1 1 460.667 3.466 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305024776 1068079508 /nfs/dbraw/zinc/07/95/08/1068079508.db2.gz IQNZEWYPOHWFHC-OALUTQOASA-N 1 1 497.585 3.407 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024775 1068079540 /nfs/dbraw/zinc/07/95/40/1068079540.db2.gz IQNZEWYPOHWFHC-MOPGFXCFSA-N 1 1 497.585 3.407 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024916 1068079767 /nfs/dbraw/zinc/07/97/67/1068079767.db2.gz JJQIAJARCRMLKT-OKZYMOFSSA-N 1 1 469.659 3.173 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025154 1068079964 /nfs/dbraw/zinc/07/99/64/1068079964.db2.gz LLHMMMOSMITYDE-SFTDATJTSA-N 1 1 482.677 3.014 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025440 1068080258 /nfs/dbraw/zinc/08/02/58/1068080258.db2.gz RCRJDSXNZBKBEH-QZTJIDSGSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025151 1068080450 /nfs/dbraw/zinc/08/04/50/1068080450.db2.gz LLHMMMOSMITYDE-LEWJYISDSA-N 1 1 482.677 3.014 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025512 1068080691 /nfs/dbraw/zinc/08/06/91/1068080691.db2.gz RURBNVWIPGUELC-VAMGGRTRSA-N 1 1 484.670 3.483 20 0 JGADMO C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001305025568 1068081057 /nfs/dbraw/zinc/08/10/57/1068081057.db2.gz NIIPWFFFLJFRQP-ROUUACIJSA-N 1 1 460.623 3.378 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026145 1068081360 /nfs/dbraw/zinc/08/13/60/1068081360.db2.gz QBQMBZVXWPRFDO-IYWMVGAKSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027451 1068083700 /nfs/dbraw/zinc/08/37/00/1068083700.db2.gz VIXBCLGVVYBKFS-RTWAWAEBSA-N 1 1 467.662 3.079 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305028045 1068084231 /nfs/dbraw/zinc/08/42/31/1068084231.db2.gz CHXGKJLUEGXIMN-SFTDATJTSA-N 1 1 486.636 3.421 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028297 1068084369 /nfs/dbraw/zinc/08/43/69/1068084369.db2.gz YCBHWTVMQLEUAT-YADHBBJMSA-N 1 1 467.662 3.079 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305028572 1068085987 /nfs/dbraw/zinc/08/59/87/1068085987.db2.gz ZZAHUADHPMVUJA-MQSCRBSSSA-N 1 1 467.662 3.125 20 0 JGADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028734 1068087016 /nfs/dbraw/zinc/08/70/16/1068087016.db2.gz JMRYPNDTIJRNKU-AABGKKOBSA-N 1 1 493.649 3.130 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccccc2Cl)CC1 ZINC001303570261 1068093482 /nfs/dbraw/zinc/09/34/82/1068093482.db2.gz CXXSZTAJBZBIAM-SANMLTNESA-N 1 1 499.059 3.372 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2ccccc2F)CC1 ZINC001303570830 1068094793 /nfs/dbraw/zinc/09/47/93/1068094793.db2.gz GMBHDBVFSLBGLA-JOCHJYFZSA-N 1 1 459.610 3.491 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CCCC3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001303570727 1068094910 /nfs/dbraw/zinc/09/49/10/1068094910.db2.gz DMFKEPXNIYUGQG-UHFFFAOYSA-N 1 1 450.628 3.007 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001303570764 1068095220 /nfs/dbraw/zinc/09/52/20/1068095220.db2.gz DULQPCKXQWXTNR-RTWAWAEBSA-N 1 1 459.610 3.370 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C)CCCC2)CC1 ZINC001303571668 1068096094 /nfs/dbraw/zinc/09/60/94/1068096094.db2.gz NMMWWIDPSQBEGY-UHFFFAOYSA-N 1 1 474.675 3.397 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305041631 1068096306 /nfs/dbraw/zinc/09/63/06/1068096306.db2.gz FUZYAFYFPBZRMQ-FYYLOGMGSA-N 1 1 488.702 3.180 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042021 1068096826 /nfs/dbraw/zinc/09/68/26/1068096826.db2.gz HEEKFOFFRRNASK-SJBKTWHCSA-N 1 1 454.619 3.115 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001303572113 1068097046 /nfs/dbraw/zinc/09/70/46/1068097046.db2.gz WNANCWACRDBFTM-OAQYLSRUSA-N 1 1 463.573 3.035 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCOCC2)CC1 ZINC001303572154 1068097074 /nfs/dbraw/zinc/09/70/74/1068097074.db2.gz XHAPCMNNQWKDQS-UHFFFAOYSA-N 1 1 462.038 3.496 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042010 1068097307 /nfs/dbraw/zinc/09/73/07/1068097307.db2.gz HCFAJAASTQLQBR-ZIFCJYIRSA-N 1 1 466.677 3.023 20 0 JGADMO C[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001305042078 1068097609 /nfs/dbraw/zinc/09/76/09/1068097609.db2.gz GJAZTGRXWCKMGG-VFNWGFHPSA-N 1 1 454.402 3.467 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2C[C@H]2C)CC1 ZINC001303572407 1068098024 /nfs/dbraw/zinc/09/80/24/1068098024.db2.gz GPMVHTJZNLJNGA-NCYKPQTJSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](COc3ccccc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305042855 1068099130 /nfs/dbraw/zinc/09/91/30/1068099130.db2.gz LQWNSVIMRPKYAX-LEWJYISDSA-N 1 1 454.619 3.054 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@H](C)C2)C1 ZINC001305042752 1068099240 /nfs/dbraw/zinc/09/92/40/1068099240.db2.gz KTSHMHHLUCECJI-RTBURBONSA-N 1 1 457.648 3.379 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305043135 1068099763 /nfs/dbraw/zinc/09/97/63/1068099763.db2.gz NUZXTEORSFZVPF-PZJWPPBQSA-N 1 1 458.607 3.099 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(OCc3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305044199 1068100775 /nfs/dbraw/zinc/10/07/75/1068100775.db2.gz XLJIMMCSZVGGOJ-NRFANRHFSA-N 1 1 468.646 3.334 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044329 1068101486 /nfs/dbraw/zinc/10/14/86/1068101486.db2.gz ZSFDMZWGFRZFRF-WNGUMJTMSA-N 1 1 486.686 3.181 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)C1 ZINC001305045132 1068102552 /nfs/dbraw/zinc/10/25/52/1068102552.db2.gz CVGGXBPYZKRRBU-RHSMWYFYSA-N 1 1 481.464 3.422 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)C1 ZINC001305045133 1068102606 /nfs/dbraw/zinc/10/26/06/1068102606.db2.gz CVGGXBPYZKRRBU-WMLDXEAASA-N 1 1 481.464 3.422 20 0 JGADMO CC(C)SCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303579490 1068103967 /nfs/dbraw/zinc/10/39/67/1068103967.db2.gz XILMYQKFDKUVGA-WOJBJXKFSA-N 1 1 494.706 3.055 20 0 JGADMO CC(C)SCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303579490 1068103976 /nfs/dbraw/zinc/10/39/76/1068103976.db2.gz XILMYQKFDKUVGA-WOJBJXKFSA-N 1 1 494.706 3.055 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305046909 1068104417 /nfs/dbraw/zinc/10/44/17/1068104417.db2.gz CURBOYJBMSKKDI-CIAFKFPVSA-N 1 1 495.734 3.332 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305046813 1068104510 /nfs/dbraw/zinc/10/45/10/1068104510.db2.gz JSKWGXMGVGZIGP-XPWALMASSA-N 1 1 474.694 3.283 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccsc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305047109 1068105963 /nfs/dbraw/zinc/10/59/63/1068105963.db2.gz LPNRQQLVIPQLHR-QUCCMNQESA-N 1 1 465.689 3.066 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001305047552 1068106628 /nfs/dbraw/zinc/10/66/28/1068106628.db2.gz LFMHUNZWQOROFN-FQEVSTJZSA-N 1 1 486.665 3.248 20 0 JGADMO CC(C)SCCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001303583507 1068106888 /nfs/dbraw/zinc/10/68/88/1068106888.db2.gz UDSRYESTBVMLKZ-UHFFFAOYSA-N 1 1 474.650 3.394 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC2CC(F)C2)C1 ZINC001305048179 1068107039 /nfs/dbraw/zinc/10/70/39/1068107039.db2.gz FJBOLQZQOWNTRW-PGYGNJIDSA-N 1 1 463.623 3.265 20 0 JGADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305048099 1068107177 /nfs/dbraw/zinc/10/71/77/1068107177.db2.gz NYYLNLBIQLRJOW-DYXWJJEUSA-N 1 1 475.659 3.115 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001305048026 1068107226 /nfs/dbraw/zinc/10/72/26/1068107226.db2.gz IGHBTFFHTGUNHA-UWHLTILDSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305048111 1068107298 /nfs/dbraw/zinc/10/72/98/1068107298.db2.gz NYYLNLBIQLRJOW-SVFBPWRDSA-N 1 1 475.659 3.115 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CCN1CC(F)(F)F ZINC001305049020 1068107997 /nfs/dbraw/zinc/10/79/97/1068107997.db2.gz NFEJSDLAWIXASU-RBUKOAKNSA-N 1 1 480.583 3.320 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305049149 1068108604 /nfs/dbraw/zinc/10/86/04/1068108604.db2.gz OQWOEJADJIZFRN-WOIUINJBSA-N 1 1 470.618 3.003 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)[C@H]2C)C1 ZINC001305049852 1068110379 /nfs/dbraw/zinc/11/03/79/1068110379.db2.gz KBAPTZGNLGGKKP-GUDVDZBRSA-N 1 1 477.700 3.411 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccccc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305049918 1068110545 /nfs/dbraw/zinc/11/05/45/1068110545.db2.gz KPCVMBLXUXGITM-HKUYNNGSSA-N 1 1 464.536 3.182 20 0 JGADMO C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303590759 1068111080 /nfs/dbraw/zinc/11/10/80/1068111080.db2.gz DTZXEBDMNPGDHG-PKOBYXMFSA-N 1 1 463.623 3.391 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305049994 1068111268 /nfs/dbraw/zinc/11/12/68/1068111268.db2.gz LAIFPHZGUBJFCS-PKOBYXMFSA-N 1 1 481.066 3.129 20 0 JGADMO C[C@@H]1CCC[N@H+](CCn2c(N3CCN(C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050143 1068111800 /nfs/dbraw/zinc/11/18/00/1068111800.db2.gz SNCJQAOKVFMHNI-FYYLOGMGSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(N3CCN(C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050143 1068111804 /nfs/dbraw/zinc/11/18/04/1068111804.db2.gz SNCJQAOKVFMHNI-FYYLOGMGSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@@H]1CCC[N@H+](CCn2c(N3CCN(C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050144 1068111845 /nfs/dbraw/zinc/11/18/45/1068111845.db2.gz SNCJQAOKVFMHNI-GGAORHGYSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(N3CCN(C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050144 1068111850 /nfs/dbraw/zinc/11/18/50/1068111850.db2.gz SNCJQAOKVFMHNI-GGAORHGYSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccn3C)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001305050373 1068111893 /nfs/dbraw/zinc/11/18/93/1068111893.db2.gz MAEBSUFSNLDTNM-KRWDZBQOSA-N 1 1 471.556 3.369 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCOC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001305051094 1068113680 /nfs/dbraw/zinc/11/36/80/1068113680.db2.gz ZEHVLFXETGGCPA-IAGOWNOFSA-N 1 1 498.491 3.337 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305051103 1068113708 /nfs/dbraw/zinc/11/37/08/1068113708.db2.gz OFGMXZNURJPSEL-RTWAWAEBSA-N 1 1 453.635 3.061 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccccc3Br)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001305051072 1068113850 /nfs/dbraw/zinc/11/38/50/1068113850.db2.gz OBONWSZTCPADLG-KRWDZBQOSA-N 1 1 498.491 3.310 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305051547 1068115054 /nfs/dbraw/zinc/11/50/54/1068115054.db2.gz PPGFTOUUNQHJSY-GOSISDBHSA-N 1 1 460.026 3.030 20 0 JGADMO CC(C)N1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305051382 1068115091 /nfs/dbraw/zinc/11/50/91/1068115091.db2.gz ZJADYNYSPTVQQN-FDFHNCONSA-N 1 1 489.709 3.311 20 0 JGADMO CC(C)N1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305051382 1068115094 /nfs/dbraw/zinc/11/50/94/1068115094.db2.gz ZJADYNYSPTVQQN-FDFHNCONSA-N 1 1 489.709 3.311 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001305051610 1068115106 /nfs/dbraw/zinc/11/51/06/1068115106.db2.gz XDAHAIMNOIXDJI-CTNGQTDRSA-N 1 1 477.650 3.468 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001305053690 1068117580 /nfs/dbraw/zinc/11/75/80/1068117580.db2.gz ZZHFYSGLACULNJ-BZUAXINKSA-N 1 1 451.413 3.381 20 0 JGADMO C[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001305055433 1068118653 /nfs/dbraw/zinc/11/86/53/1068118653.db2.gz FTHACODYKFMZIG-WOJBJXKFSA-N 1 1 464.655 3.398 20 0 JGADMO C[C@H]1CCCN1c1nnc([C@H]2CCCOC2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001305055430 1068118722 /nfs/dbraw/zinc/11/87/22/1068118722.db2.gz FTHACODYKFMZIG-PMACEKPBSA-N 1 1 464.655 3.398 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001305057376 1068119890 /nfs/dbraw/zinc/11/98/90/1068119890.db2.gz BOBWGPAWGDFILI-IIBYNOLFSA-N 1 1 452.525 3.354 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001305058261 1068120310 /nfs/dbraw/zinc/12/03/10/1068120310.db2.gz GIZUHHSSEAXYFE-WMZOPIPTSA-N 1 1 467.586 3.314 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001305058260 1068120392 /nfs/dbraw/zinc/12/03/92/1068120392.db2.gz GIZUHHSSEAXYFE-SJLPKXTDSA-N 1 1 467.586 3.314 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCn1cccn1 ZINC001305058695 1068121523 /nfs/dbraw/zinc/12/15/23/1068121523.db2.gz JGQHREBUYUHKPS-LEWJYISDSA-N 1 1 486.665 3.210 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305059406 1068122931 /nfs/dbraw/zinc/12/29/31/1068122931.db2.gz MFNGLUBZIPYHPW-WOJBJXKFSA-N 1 1 471.650 3.461 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001305059292 1068123021 /nfs/dbraw/zinc/12/30/21/1068123021.db2.gz OHXPFTIXKQMDCG-SFHVURJKSA-N 1 1 468.005 3.477 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305059785 1068123775 /nfs/dbraw/zinc/12/37/75/1068123775.db2.gz QAKSCTOGMLPTCJ-VAMGGRTRSA-N 1 1 462.639 3.450 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC(C)(C)C1 ZINC001305061592 1068126408 /nfs/dbraw/zinc/12/64/08/1068126408.db2.gz ULARZHKCVOSNRB-LJQANCHMSA-N 1 1 474.675 3.306 20 0 JGADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1CC[N@@H+](C)C1CCCC1 ZINC001303599582 1068126605 /nfs/dbraw/zinc/12/66/05/1068126605.db2.gz CLRFRUAVKYEODF-XMSQKQJNSA-N 1 1 490.674 3.239 20 0 JGADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+](C)C1CCCC1 ZINC001303599579 1068126685 /nfs/dbraw/zinc/12/66/85/1068126685.db2.gz CLRFRUAVKYEODF-GCJKJVERSA-N 1 1 490.674 3.239 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCOC1 ZINC001305061838 1068128372 /nfs/dbraw/zinc/12/83/72/1068128372.db2.gz ITSURMGSLLWWMK-WCIQWLHISA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305062275 1068129511 /nfs/dbraw/zinc/12/95/11/1068129511.db2.gz XXAZJHJYAPRJJK-KRWDZBQOSA-N 1 1 475.041 3.108 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001305062774 1068130681 /nfs/dbraw/zinc/13/06/81/1068130681.db2.gz QREOOUCHCWOJTJ-SJORKVTESA-N 1 1 463.051 3.375 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303602545 1068132688 /nfs/dbraw/zinc/13/26/88/1068132688.db2.gz OKZDHUQOXIKJJG-JBCOSWRDSA-N 1 1 475.659 3.175 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303602545 1068132690 /nfs/dbraw/zinc/13/26/90/1068132690.db2.gz OKZDHUQOXIKJJG-JBCOSWRDSA-N 1 1 475.659 3.175 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063990 1068134578 /nfs/dbraw/zinc/13/45/78/1068134578.db2.gz JTCXQZHLMPTIPS-PKTZIBPZSA-N 1 1 481.689 3.247 20 0 JGADMO CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001303614535 1068148730 /nfs/dbraw/zinc/14/87/30/1068148730.db2.gz PSZHARBSXIZXAH-IAGOWNOFSA-N 1 1 453.484 3.413 20 0 JGADMO CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001305086613 1068156614 /nfs/dbraw/zinc/15/66/14/1068156614.db2.gz IWXZITZEGYZBQU-VXKWHMMOSA-N 1 1 490.693 3.476 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)C)CC1 ZINC001303628054 1068158339 /nfs/dbraw/zinc/15/83/39/1068158339.db2.gz GELQWFNCCPQURS-CQSZACIVSA-N 1 1 492.447 3.069 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303627757 1068158348 /nfs/dbraw/zinc/15/83/48/1068158348.db2.gz DJJKHORFFZUMEN-GOSISDBHSA-N 1 1 469.659 3.391 20 0 JGADMO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C ZINC001305107577 1068176876 /nfs/dbraw/zinc/17/68/76/1068176876.db2.gz JRAYLTMAITVVKZ-SFHLNBCPSA-N 1 1 472.609 3.174 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001303652854 1068183381 /nfs/dbraw/zinc/18/33/81/1068183381.db2.gz KZWLHFVFTKVMAH-HUUCEWRRSA-N 1 1 492.411 3.323 20 0 JGADMO C[C@@H](N1CCN(c2nnc(C3CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305111665 1068184098 /nfs/dbraw/zinc/18/40/98/1068184098.db2.gz FFHOOMLZQKPYSA-IXDOHACOSA-N 1 1 458.573 3.116 20 0 JGADMO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)nc2)cc1 ZINC001303656493 1068188310 /nfs/dbraw/zinc/18/83/10/1068188310.db2.gz FQTZMLIGALXOHO-UHFFFAOYSA-N 1 1 454.552 3.216 20 0 JGADMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)nc2)cc1 ZINC001303656493 1068188314 /nfs/dbraw/zinc/18/83/14/1068188314.db2.gz FQTZMLIGALXOHO-UHFFFAOYSA-N 1 1 454.552 3.216 20 0 JGADMO CC(C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305113176 1068189269 /nfs/dbraw/zinc/18/92/69/1068189269.db2.gz MWALEUIWDSTKDA-BGYRXZFFSA-N 1 1 460.667 3.271 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001305113263 1068189450 /nfs/dbraw/zinc/18/94/50/1068189450.db2.gz SKCQDSAPRDQWEX-VSKRKVRLSA-N 1 1 476.710 3.371 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001305113263 1068189456 /nfs/dbraw/zinc/18/94/56/1068189456.db2.gz SKCQDSAPRDQWEX-VSKRKVRLSA-N 1 1 476.710 3.371 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001305114234 1068191165 /nfs/dbraw/zinc/19/11/65/1068191165.db2.gz QRXLDBUDFMKGAQ-OYRHEFFESA-N 1 1 484.693 3.181 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C[C@@H](C)O1 ZINC001305113854 1068191298 /nfs/dbraw/zinc/19/12/98/1068191298.db2.gz QRXLDBUDFMKGAQ-NHCUHLMSSA-N 1 1 484.693 3.181 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCOC3)C2)C[C@H](C)O1 ZINC001305114453 1068192388 /nfs/dbraw/zinc/19/23/88/1068192388.db2.gz YFGXXDNEHRUKLQ-PBQROFAYSA-N 1 1 463.667 3.139 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCS[C@H](C)[C@H]2C)C[C@H](C)O1 ZINC001305114492 1068192521 /nfs/dbraw/zinc/19/25/21/1068192521.db2.gz YOLBEAKADHBOGL-IYWMVGAKSA-N 1 1 458.676 3.482 20 0 JGADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccsc2)C[C@@H](C)O1 ZINC001305115372 1068194076 /nfs/dbraw/zinc/19/40/76/1068194076.db2.gz XNXBNTLSBUQSFB-QZTJIDSGSA-N 1 1 460.648 3.100 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001305115652 1068194343 /nfs/dbraw/zinc/19/43/43/1068194343.db2.gz ZGZHARQYGFPUHS-SZPZYZBQSA-N 1 1 499.704 3.023 20 0 JGADMO C[C@@H](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC001303663267 1068195002 /nfs/dbraw/zinc/19/50/02/1068195002.db2.gz BCWTYSHIMYNSIX-SIKLNZKXSA-N 1 1 454.619 3.003 20 0 JGADMO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC001303664542 1068197433 /nfs/dbraw/zinc/19/74/33/1068197433.db2.gz VXJQONGCCYJQIP-OAQYLSRUSA-N 1 1 468.646 3.288 20 0 JGADMO C[C@H](CCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303665546 1068198969 /nfs/dbraw/zinc/19/89/69/1068198969.db2.gz VGXMGESZXQHMKY-LJQANCHMSA-N 1 1 488.562 3.330 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2CCCC[C@H]2C)CC(C)(C)O1 ZINC001305122979 1068206819 /nfs/dbraw/zinc/20/68/19/1068206819.db2.gz PPUXQOHGFIGLRX-RTBURBONSA-N 1 1 455.607 3.194 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H](C(F)(F)F)O1 ZINC001305123539 1068208332 /nfs/dbraw/zinc/20/83/32/1068208332.db2.gz GVPVOSYFNZVHSS-ZACQAIPSSA-N 1 1 495.550 3.202 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCC(=O)N(C)C ZINC001305134001 1068221231 /nfs/dbraw/zinc/22/12/31/1068221231.db2.gz OAXHNXYTJZCVJL-RTBURBONSA-N 1 1 472.609 3.346 20 0 JGADMO C[C@@H](CN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCOCC1)c1nccs1 ZINC001303685799 1068223942 /nfs/dbraw/zinc/22/39/42/1068223942.db2.gz ZOMIYFQJAZASFY-SFHVURJKSA-N 1 1 458.607 3.427 20 0 JGADMO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCOC1)[N@@H+](C)C1CC1 ZINC001303686613 1068224640 /nfs/dbraw/zinc/22/46/40/1068224640.db2.gz HHUINPNTTAWUDL-IEBWSBKVSA-N 1 1 475.037 3.207 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001303690310 1068230121 /nfs/dbraw/zinc/23/01/21/1068230121.db2.gz YNWUFYFQRNBMKO-VXKWHMMOSA-N 1 1 488.652 3.239 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CCCO1 ZINC001305138345 1068230575 /nfs/dbraw/zinc/23/05/75/1068230575.db2.gz QKDQORQYLOYXHU-KRWDZBQOSA-N 1 1 465.545 3.273 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC(C)(C)C2)CCCO1 ZINC001305138345 1068230579 /nfs/dbraw/zinc/23/05/79/1068230579.db2.gz QKDQORQYLOYXHU-KRWDZBQOSA-N 1 1 465.545 3.273 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](C)Cc1cccs1 ZINC001305139195 1068232753 /nfs/dbraw/zinc/23/27/53/1068232753.db2.gz WEKOMKVKICQAMP-GBESFXJTSA-N 1 1 494.731 3.139 20 0 JGADMO C[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)(C)C)[N@@H+](C)C1CC1 ZINC001303692380 1068234010 /nfs/dbraw/zinc/23/40/10/1068234010.db2.gz WEEIIBIPYPYVRJ-KRWDZBQOSA-N 1 1 464.618 3.169 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCOCC1 ZINC001303692468 1068234682 /nfs/dbraw/zinc/23/46/82/1068234682.db2.gz XKGKHXFEYVWUMA-IRXDYDNUSA-N 1 1 478.435 3.432 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001303693313 1068235745 /nfs/dbraw/zinc/23/57/45/1068235745.db2.gz DRJKVLXPYPMBEO-OAHLLOKOSA-N 1 1 462.385 3.399 20 0 JGADMO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001303693387 1068235894 /nfs/dbraw/zinc/23/58/94/1068235894.db2.gz GFWGBHKEPQJRGK-HXUWFJFHSA-N 1 1 482.673 3.445 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001305141929 1068238022 /nfs/dbraw/zinc/23/80/22/1068238022.db2.gz CAXOETXLMLMFHJ-RBUKOAKNSA-N 1 1 477.700 3.411 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC001303695765 1068239135 /nfs/dbraw/zinc/23/91/35/1068239135.db2.gz KFJGQLZSZPRHEX-PXNSSMCTSA-N 1 1 478.435 3.434 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C)S1 ZINC001305143663 1068243027 /nfs/dbraw/zinc/24/30/27/1068243027.db2.gz VJFDOVVXFDYZBN-SXGZJXTBSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303702868 1068246960 /nfs/dbraw/zinc/24/69/60/1068246960.db2.gz GHLAOAHWUIRNBM-IEBWSBKVSA-N 1 1 455.607 3.316 20 0 JGADMO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303702869 1068247127 /nfs/dbraw/zinc/24/71/27/1068247127.db2.gz GHLAOAHWUIRNBM-MJGOQNOKSA-N 1 1 455.607 3.316 20 0 JGADMO CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001305146731 1068248188 /nfs/dbraw/zinc/24/81/88/1068248188.db2.gz PPDKBLAAOCIRLW-QGZVFWFLSA-N 1 1 460.026 3.076 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC001303705458 1068250039 /nfs/dbraw/zinc/25/00/39/1068250039.db2.gz MVNQRGFWAAGWJJ-GUDVDZBRSA-N 1 1 458.632 3.052 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001305149398 1068253434 /nfs/dbraw/zinc/25/34/34/1068253434.db2.gz UYFPEAYHRDIVQZ-KRWDZBQOSA-N 1 1 486.970 3.394 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001305149399 1068253883 /nfs/dbraw/zinc/25/38/83/1068253883.db2.gz UYFPEAYHRDIVQZ-QGZVFWFLSA-N 1 1 486.970 3.394 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[N@@H+](C)C1CC1 ZINC001303715594 1068262546 /nfs/dbraw/zinc/26/25/46/1068262546.db2.gz AESSBNGAGAOCFD-QZTJIDSGSA-N 1 1 464.680 3.429 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)S1 ZINC001305154895 1068263601 /nfs/dbraw/zinc/26/36/01/1068263601.db2.gz PHVGGIIOWGPBBT-MDOVXXIYSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCSC1)[N@@H+](C)C1CC1 ZINC001303723211 1068273188 /nfs/dbraw/zinc/27/31/88/1068273188.db2.gz RRWNWUBYZLYRRY-NZSAHSFTSA-N 1 1 480.679 3.011 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001305169933 1068280632 /nfs/dbraw/zinc/28/06/32/1068280632.db2.gz INUCSRNGIOJMJV-MJGOQNOKSA-N 1 1 498.619 3.253 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303728247 1068282273 /nfs/dbraw/zinc/28/22/73/1068282273.db2.gz KRPWVBUEFYOANQ-WOJBJXKFSA-N 1 1 483.661 3.440 20 0 JGADMO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(CCCN2CCOCC2)CC1)[NH+](C)C ZINC001303729256 1068284855 /nfs/dbraw/zinc/28/48/55/1068284855.db2.gz YUEITVYGZLXDKI-OAQYLSRUSA-N 1 1 472.653 3.287 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303730320 1068285296 /nfs/dbraw/zinc/28/52/96/1068285296.db2.gz ASYNIGUDDOPQFE-HXUWFJFHSA-N 1 1 487.574 3.469 20 0 JGADMO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303731584 1068286664 /nfs/dbraw/zinc/28/66/64/1068286664.db2.gz ODKBHUDMYYHPQG-HXUWFJFHSA-N 1 1 469.584 3.172 20 0 JGADMO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCSC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303736421 1068294593 /nfs/dbraw/zinc/29/45/93/1068294593.db2.gz LVKPIYMWLFMCEC-LJQANCHMSA-N 1 1 456.660 3.253 20 0 JGADMO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1)[N@@H+](C)C1CC1 ZINC001303739276 1068299480 /nfs/dbraw/zinc/29/94/80/1068299480.db2.gz YBBXCQPCUXPQDG-QGZVFWFLSA-N 1 1 461.582 3.314 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305190332 1068312018 /nfs/dbraw/zinc/31/20/18/1068312018.db2.gz RCAQXAIZWJSCPY-APWZRJJASA-N 1 1 469.964 3.309 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305191945 1068314456 /nfs/dbraw/zinc/31/44/56/1068314456.db2.gz VOIBSGKDEXFSKN-UGKGYDQZSA-N 1 1 459.610 3.249 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305191943 1068314547 /nfs/dbraw/zinc/31/45/47/1068314547.db2.gz VOIBSGKDEXFSKN-KNQAVFIVSA-N 1 1 459.610 3.249 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001305192273 1068315587 /nfs/dbraw/zinc/31/55/87/1068315587.db2.gz PEGIBFNPHKBFKH-MNEFBYGVSA-N 1 1 469.508 3.287 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC001305195724 1068320916 /nfs/dbraw/zinc/32/09/16/1068320916.db2.gz DLSBQOTWSVFOCN-NVXWUHKLSA-N 1 1 473.565 3.197 20 0 JGADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCOCC1 ZINC001303758579 1068321599 /nfs/dbraw/zinc/32/15/99/1068321599.db2.gz CVDAATGPOMGJHN-IAGOWNOFSA-N 1 1 451.587 3.057 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCN(C)c1ccccc1)C[NH+]1CCOCC1 ZINC001303758571 1068321806 /nfs/dbraw/zinc/32/18/06/1068321806.db2.gz CUDBSDBCWWOJNS-JTHBVZDNSA-N 1 1 456.635 3.061 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC001303761145 1068328392 /nfs/dbraw/zinc/32/83/92/1068328392.db2.gz ZXNGCOKRCCWACD-HKUYNNGSSA-N 1 1 467.536 3.406 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC001303761151 1068328430 /nfs/dbraw/zinc/32/84/30/1068328430.db2.gz ZXNGCOKRCCWACD-MJGOQNOKSA-N 1 1 467.536 3.406 20 0 JGADMO C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001305204274 1068328897 /nfs/dbraw/zinc/32/88/97/1068328897.db2.gz OXPUZIXIZINZSN-JTHBVZDNSA-N 1 1 484.714 3.338 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303763168 1068331364 /nfs/dbraw/zinc/33/13/64/1068331364.db2.gz VLBNBKZUYMYEDE-QYZOEREBSA-N 1 1 457.623 3.117 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001305207451 1068335169 /nfs/dbraw/zinc/33/51/69/1068335169.db2.gz GCAHJAWVKJHMHT-RTBURBONSA-N 1 1 468.627 3.015 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001303765235 1068336634 /nfs/dbraw/zinc/33/66/34/1068336634.db2.gz XPQOFOMCFFHCHS-KBMIEXCESA-N 1 1 493.599 3.202 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303767721 1068339897 /nfs/dbraw/zinc/33/98/97/1068339897.db2.gz BISROJHMSCVAND-GGAORHGYSA-N 1 1 498.672 3.135 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303767721 1068339916 /nfs/dbraw/zinc/33/99/16/1068339916.db2.gz BISROJHMSCVAND-GGAORHGYSA-N 1 1 498.672 3.135 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001305211952 1068341896 /nfs/dbraw/zinc/34/18/96/1068341896.db2.gz VNMUTHMXLGXPJF-RBBKRZOGSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@@H](CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305211988 1068342419 /nfs/dbraw/zinc/34/24/19/1068342419.db2.gz VUHSJXJVHPWVPQ-VQTJNVASSA-N 1 1 482.654 3.405 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001303770669 1068344978 /nfs/dbraw/zinc/34/49/78/1068344978.db2.gz AXBIWGRXXAGQTA-CABCVRRESA-N 1 1 480.997 3.066 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001305214244 1068347876 /nfs/dbraw/zinc/34/78/76/1068347876.db2.gz CGVNGTFZMSRFMK-UMEGOILYSA-N 1 1 475.609 3.499 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305214456 1068348366 /nfs/dbraw/zinc/34/83/66/1068348366.db2.gz FILZUSFXPJRBLE-QRVBRYPASA-N 1 1 461.582 3.109 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC(C)(C)O1 ZINC001305215380 1068349666 /nfs/dbraw/zinc/34/96/66/1068349666.db2.gz CXABTEVWWAOBDS-VAMGGRTRSA-N 1 1 463.667 3.311 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC(C)(C)O1 ZINC001305215380 1068349684 /nfs/dbraw/zinc/34/96/84/1068349684.db2.gz CXABTEVWWAOBDS-VAMGGRTRSA-N 1 1 463.667 3.311 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCOC2)CCCO1 ZINC001305219338 1068356196 /nfs/dbraw/zinc/35/61/96/1068356196.db2.gz AWIJEOARBGQMIY-WOJBJXKFSA-N 1 1 478.037 3.484 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305219635 1068356989 /nfs/dbraw/zinc/35/69/89/1068356989.db2.gz CCJGEJMZDMIPHE-LEWJYISDSA-N 1 1 476.710 3.455 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)C(C)(C)C ZINC001305220338 1068357749 /nfs/dbraw/zinc/35/77/49/1068357749.db2.gz FFOIJGFCYKFTBE-IAGOWNOFSA-N 1 1 466.051 3.485 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001303780580 1068358885 /nfs/dbraw/zinc/35/88/85/1068358885.db2.gz JLJQOYGTLNJHRS-HXUWFJFHSA-N 1 1 473.687 3.329 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001303780580 1068358899 /nfs/dbraw/zinc/35/88/99/1068358899.db2.gz JLJQOYGTLNJHRS-HXUWFJFHSA-N 1 1 473.687 3.329 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C ZINC001305221528 1068359874 /nfs/dbraw/zinc/35/98/74/1068359874.db2.gz HYGWRGLZCAKQNP-UAFMIMERSA-N 1 1 481.707 3.083 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C ZINC001305221523 1068360070 /nfs/dbraw/zinc/36/00/70/1068360070.db2.gz HYGWRGLZCAKQNP-IYWMVGAKSA-N 1 1 481.707 3.083 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)C[C@H](C)O1 ZINC001305222111 1068362190 /nfs/dbraw/zinc/36/21/90/1068362190.db2.gz NAYZXJMSSZFQJS-HSALFYBXSA-N 1 1 475.609 3.499 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305222548 1068362904 /nfs/dbraw/zinc/36/29/04/1068362904.db2.gz PHQVLQLMSSASLN-NHCUHLMSSA-N 1 1 459.660 3.342 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC001305223140 1068363952 /nfs/dbraw/zinc/36/39/52/1068363952.db2.gz RQNDUAALJAZXLT-PMACEKPBSA-N 1 1 461.582 3.112 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CC[C@@](O)(c4ccc(F)cc4)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224086 1068366288 /nfs/dbraw/zinc/36/62/88/1068366288.db2.gz WNOUQUNIKKMYAH-DFBJGRDBSA-N 1 1 459.610 3.314 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305224576 1068366944 /nfs/dbraw/zinc/36/69/44/1068366944.db2.gz XYXRLTRHKBHLAT-LDBYXDLTSA-N 1 1 465.440 3.126 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)C(C)(C)C ZINC001305224652 1068367488 /nfs/dbraw/zinc/36/74/88/1068367488.db2.gz RQFPTHARSQPJMB-IRLDBZIGSA-N 1 1 473.687 3.340 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)C2CCCC2)CC1)C(F)(F)F ZINC001303787996 1068369783 /nfs/dbraw/zinc/36/97/83/1068369783.db2.gz JFSVGWIZKBQKPH-KRWDZBQOSA-N 1 1 451.541 3.287 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305226350 1068370329 /nfs/dbraw/zinc/37/03/29/1068370329.db2.gz YPXJVSCAXZCESW-PKOBYXMFSA-N 1 1 491.587 3.097 20 0 JGADMO C[C@H](N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1)C(F)(F)F ZINC001303791934 1068375282 /nfs/dbraw/zinc/37/52/82/1068375282.db2.gz BHEMLJJUFBYDDX-IBGZPJMESA-N 1 1 479.595 3.459 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001305234054 1068382558 /nfs/dbraw/zinc/38/25/58/1068382558.db2.gz KGSDXZGWOQBLPU-CQSZACIVSA-N 1 1 467.521 3.173 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001305234054 1068382573 /nfs/dbraw/zinc/38/25/73/1068382573.db2.gz KGSDXZGWOQBLPU-CQSZACIVSA-N 1 1 467.521 3.173 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305234953 1068384473 /nfs/dbraw/zinc/38/44/73/1068384473.db2.gz ZCHBTQAFYRZBQF-VQTJNVASSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305234953 1068384489 /nfs/dbraw/zinc/38/44/89/1068384489.db2.gz ZCHBTQAFYRZBQF-VQTJNVASSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001305234954 1068385635 /nfs/dbraw/zinc/38/56/35/1068385635.db2.gz ZCHBTQAFYRZBQF-WOJBJXKFSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001305234954 1068385647 /nfs/dbraw/zinc/38/56/47/1068385647.db2.gz ZCHBTQAFYRZBQF-WOJBJXKFSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[NH+]1CCOCC1 ZINC001305236848 1068386885 /nfs/dbraw/zinc/38/68/85/1068386885.db2.gz BRNZXHGNLONUES-QGZVFWFLSA-N 1 1 452.024 3.175 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303801828 1068398638 /nfs/dbraw/zinc/39/86/38/1068398638.db2.gz YRXYCQJJUHDZMS-FPOVZHCZSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303801828 1068398654 /nfs/dbraw/zinc/39/86/54/1068398654.db2.gz YRXYCQJJUHDZMS-FPOVZHCZSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CC[N@@H+](C)C1CCCCC1 ZINC001303805490 1068408054 /nfs/dbraw/zinc/40/80/54/1068408054.db2.gz DMPVGPKHPZYCQO-PGRDOPGGSA-N 1 1 474.675 3.277 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc([C@@H]2CCCCO2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305250414 1068409290 /nfs/dbraw/zinc/40/92/90/1068409290.db2.gz AMKVERIYSQXEDK-DYXWJJEUSA-N 1 1 450.697 3.124 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CC1(C)C ZINC001303805610 1068409559 /nfs/dbraw/zinc/40/95/59/1068409559.db2.gz GCYXQZPHHAUILW-TYPHKJRUSA-N 1 1 474.675 3.035 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1C ZINC001305254928 1068417413 /nfs/dbraw/zinc/41/74/13/1068417413.db2.gz MVFMVKNGUDLQAH-JKSUJKDBSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@H]1C ZINC001305254928 1068417418 /nfs/dbraw/zinc/41/74/18/1068417418.db2.gz MVFMVKNGUDLQAH-JKSUJKDBSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@H]1C ZINC001305254928 1068417420 /nfs/dbraw/zinc/41/74/20/1068417420.db2.gz MVFMVKNGUDLQAH-JKSUJKDBSA-N 1 1 496.523 3.392 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001305256091 1068419314 /nfs/dbraw/zinc/41/93/14/1068419314.db2.gz PKQKGEPVXQGAQJ-CNNODRBYSA-N 1 1 491.727 3.399 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOCC2(C)C)[C@H]1C ZINC001305257190 1068421079 /nfs/dbraw/zinc/42/10/79/1068421079.db2.gz SYXHFAGUSSDAEW-JKSUJKDBSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOCC2(C)C)[C@H]1C ZINC001305257190 1068421081 /nfs/dbraw/zinc/42/10/81/1068421081.db2.gz SYXHFAGUSSDAEW-JKSUJKDBSA-N 1 1 497.507 3.487 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001305260637 1068427540 /nfs/dbraw/zinc/42/75/40/1068427540.db2.gz BLFBBFKWSGNLLI-JOCHJYFZSA-N 1 1 461.614 3.357 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001305261736 1068431361 /nfs/dbraw/zinc/43/13/61/1068431361.db2.gz IFDKHTWAMFSMQC-QGZVFWFLSA-N 1 1 480.455 3.261 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001303817971 1068431479 /nfs/dbraw/zinc/43/14/79/1068431479.db2.gz VREPVNWJWYTOKH-VQIMIIECSA-N 1 1 488.649 3.167 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001305262103 1068432113 /nfs/dbraw/zinc/43/21/13/1068432113.db2.gz GGVWPFBKHXPWHV-SFHVURJKSA-N 1 1 493.027 3.343 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305263408 1068437187 /nfs/dbraw/zinc/43/71/87/1068437187.db2.gz CQCSYDRNKMBLRI-JTHBVZDNSA-N 1 1 467.662 3.271 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC001305264392 1068441577 /nfs/dbraw/zinc/44/15/77/1068441577.db2.gz FPIOUIPRVWFUFS-ZTCOLXNVSA-N 1 1 482.673 3.292 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001305266064 1068448029 /nfs/dbraw/zinc/44/80/29/1068448029.db2.gz JBRWMXLUAOFQEF-QFIPXVFZSA-N 1 1 498.672 3.080 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001305266064 1068448033 /nfs/dbraw/zinc/44/80/33/1068448033.db2.gz JBRWMXLUAOFQEF-QFIPXVFZSA-N 1 1 498.672 3.080 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001305266413 1068449548 /nfs/dbraw/zinc/44/95/48/1068449548.db2.gz IPXVQORFJFWMEG-FXAWDEMLSA-N 1 1 450.591 3.224 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001305268021 1068456456 /nfs/dbraw/zinc/45/64/56/1068456456.db2.gz QXHAVVQHBUHVDM-FGZHOGPDSA-N 1 1 489.064 3.330 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303832193 1068457844 /nfs/dbraw/zinc/45/78/44/1068457844.db2.gz UZQBONJIYSFLTE-MOPGFXCFSA-N 1 1 466.696 3.027 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305269212 1068460706 /nfs/dbraw/zinc/46/07/06/1068460706.db2.gz UBYYPFWWVHUYQO-GOSISDBHSA-N 1 1 493.027 3.343 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305269212 1068460712 /nfs/dbraw/zinc/46/07/12/1068460712.db2.gz UBYYPFWWVHUYQO-GOSISDBHSA-N 1 1 493.027 3.343 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303844984 1068478142 /nfs/dbraw/zinc/47/81/42/1068478142.db2.gz KTKJNRFMFSYUKK-IHPCNDPISA-N 1 1 496.628 3.034 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303844986 1068478210 /nfs/dbraw/zinc/47/82/10/1068478210.db2.gz KTKJNRFMFSYUKK-YSIASYRMSA-N 1 1 496.628 3.034 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC1=CCCCC1 ZINC001303850326 1068485447 /nfs/dbraw/zinc/48/54/47/1068485447.db2.gz SSRLNVOYOCLZMF-URVUXULASA-N 1 1 478.707 3.480 20 0 JGADMO CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001305286873 1068488911 /nfs/dbraw/zinc/48/89/11/1068488911.db2.gz FNKUARIZIGTFBG-QPPBQGQZSA-N 1 1 466.674 3.488 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001303852981 1068493080 /nfs/dbraw/zinc/49/30/80/1068493080.db2.gz ONMCKALIBDKTHC-QGZVFWFLSA-N 1 1 498.644 3.359 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001303855954 1068496546 /nfs/dbraw/zinc/49/65/46/1068496546.db2.gz CIQGCRYOARNWDG-MRXNPFEDSA-N 1 1 499.056 3.184 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1cccc(Cl)c1 ZINC001303857738 1068498083 /nfs/dbraw/zinc/49/80/83/1068498083.db2.gz KELYNAUGVCIKQT-KRWDZBQOSA-N 1 1 481.066 3.045 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCC1(F)CCC1 ZINC001303859014 1068499924 /nfs/dbraw/zinc/49/99/24/1068499924.db2.gz HHWNHRWUHJEBCO-IAGOWNOFSA-N 1 1 484.667 3.115 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303865182 1068502004 /nfs/dbraw/zinc/50/20/04/1068502004.db2.gz NWNBIYIXUBROSH-IVMQYODDSA-N 1 1 480.704 3.269 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303865181 1068502117 /nfs/dbraw/zinc/50/21/17/1068502117.db2.gz NWNBIYIXUBROSH-IPJUCJBFSA-N 1 1 480.704 3.269 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H]1CCCC1(C)C ZINC001303864976 1068502328 /nfs/dbraw/zinc/50/23/28/1068502328.db2.gz KILPJDSJWVSWKY-AZUAARDMSA-N 1 1 492.665 3.176 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303877223 1068511668 /nfs/dbraw/zinc/51/16/68/1068511668.db2.gz LTDUXRJFGAWIIC-ZYKOEDHHSA-N 1 1 474.675 3.179 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305303649 1068512792 /nfs/dbraw/zinc/51/27/92/1068512792.db2.gz ZNEORHFHDVEODD-OSPHWJPCSA-N 1 1 479.572 3.397 20 0 JGADMO CC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305307338 1068515315 /nfs/dbraw/zinc/51/53/15/1068515315.db2.gz LKJPMUHGXGJOFR-BVFVYWQFSA-N 1 1 490.643 3.303 20 0 JGADMO CC[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001305307802 1068515870 /nfs/dbraw/zinc/51/58/70/1068515870.db2.gz BXJRRCFJUWUYMO-BJKOFHAPSA-N 1 1 459.660 3.341 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303896216 1068535474 /nfs/dbraw/zinc/53/54/74/1068535474.db2.gz YPQJREBUTOABOX-ZWKOTPCHSA-N 1 1 458.582 3.133 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001305321707 1068539658 /nfs/dbraw/zinc/53/96/58/1068539658.db2.gz ZQWVBBALXBIEEJ-NNPDTBDGSA-N 1 1 457.619 3.434 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001303899954 1068542560 /nfs/dbraw/zinc/54/25/60/1068542560.db2.gz XMFMBQKLAIIGMS-HXUWFJFHSA-N 1 1 487.624 3.235 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303899947 1068542849 /nfs/dbraw/zinc/54/28/49/1068542849.db2.gz XJYSCMUCMITEMB-IPJJNNNSSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303901992 1068545487 /nfs/dbraw/zinc/54/54/87/1068545487.db2.gz WBNLDJKMWQWVGP-KRWDZBQOSA-N 1 1 466.552 3.429 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303904288 1068548740 /nfs/dbraw/zinc/54/87/40/1068548740.db2.gz WEUZIAYKRLIXDA-CLOONOSVSA-N 1 1 485.608 3.383 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001305326483 1068548734 /nfs/dbraw/zinc/54/87/34/1068548734.db2.gz YPJWODDRSGFGKG-WXVAWEFUSA-N 1 1 482.673 3.185 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001305326483 1068548744 /nfs/dbraw/zinc/54/87/44/1068548744.db2.gz YPJWODDRSGFGKG-WXVAWEFUSA-N 1 1 482.673 3.185 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001305329526 1068554421 /nfs/dbraw/zinc/55/44/21/1068554421.db2.gz HGCJJJGSVFRBCW-CJAUYULYSA-N 1 1 467.618 3.312 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCCS(C)(=O)=O ZINC001303908946 1068555870 /nfs/dbraw/zinc/55/58/70/1068555870.db2.gz HCGWZIYTRCNHAU-JENIJYKNSA-N 1 1 482.050 3.179 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001303909609 1068557316 /nfs/dbraw/zinc/55/73/16/1068557316.db2.gz KDUHEYLZXBUFSL-QGZVFWFLSA-N 1 1 486.020 3.068 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001305333548 1068563653 /nfs/dbraw/zinc/56/36/53/1068563653.db2.gz JFEMFXOTGKLYRD-WCYRKSIYSA-N 1 1 484.689 3.179 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305335973 1068567247 /nfs/dbraw/zinc/56/72/47/1068567247.db2.gz LJKBPBAXFVKNBA-RXFWQSSRSA-N 1 1 471.646 3.367 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001303918403 1068570315 /nfs/dbraw/zinc/57/03/15/1068570315.db2.gz YZRCJZSMZQNSRB-MSOLQXFVSA-N 1 1 483.592 3.367 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303923893 1068577994 /nfs/dbraw/zinc/57/79/94/1068577994.db2.gz RNEWDAACDXJOLM-QZTJIDSGSA-N 1 1 490.605 3.202 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001305343276 1068580503 /nfs/dbraw/zinc/58/05/03/1068580503.db2.gz JMHBVIAJHNPRSN-UIYANEJRSA-N 1 1 498.672 3.004 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001303925205 1068581084 /nfs/dbraw/zinc/58/10/84/1068581084.db2.gz ZCEWZZCCRCBGQY-MOPGFXCFSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305343929 1068582033 /nfs/dbraw/zinc/58/20/33/1068582033.db2.gz WTAMYCDPYPUXBI-ROKPMTFOSA-N 1 1 459.660 3.197 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305343929 1068582052 /nfs/dbraw/zinc/58/20/52/1068582052.db2.gz WTAMYCDPYPUXBI-ROKPMTFOSA-N 1 1 459.660 3.197 20 0 JGADMO CC[C@@H](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)OC ZINC001305345902 1068585040 /nfs/dbraw/zinc/58/50/40/1068585040.db2.gz ZPCQJMKIECLRKH-ZJSXRUAMSA-N 1 1 498.672 3.214 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)OC ZINC001305345899 1068585209 /nfs/dbraw/zinc/58/52/09/1068585209.db2.gz ZPCQJMKIECLRKH-URXFXBBRSA-N 1 1 498.672 3.214 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305346034 1068586230 /nfs/dbraw/zinc/58/62/30/1068586230.db2.gz HNVXSPOHEBABEO-MIZPHKNDSA-N 1 1 457.619 3.173 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303927311 1068586353 /nfs/dbraw/zinc/58/63/53/1068586353.db2.gz VVKCXLWDWYTEKU-AABGKKOBSA-N 1 1 472.609 3.379 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001305346823 1068587107 /nfs/dbraw/zinc/58/71/07/1068587107.db2.gz HDHUSNDEBZSIBM-KIVTUJJHSA-N 1 1 457.619 3.316 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCC(F)(F)F ZINC001303931501 1068588435 /nfs/dbraw/zinc/58/84/35/1068588435.db2.gz DVINQIHGTPNAHS-HOTGVXAUSA-N 1 1 457.472 3.421 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCC(F)(F)F ZINC001303931501 1068588452 /nfs/dbraw/zinc/58/84/52/1068588452.db2.gz DVINQIHGTPNAHS-HOTGVXAUSA-N 1 1 457.472 3.421 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCC(F)(F)F ZINC001303931503 1068588586 /nfs/dbraw/zinc/58/85/86/1068588586.db2.gz DVINQIHGTPNAHS-JKSUJKDBSA-N 1 1 457.472 3.421 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCC(F)(F)F ZINC001303931503 1068588606 /nfs/dbraw/zinc/58/86/06/1068588606.db2.gz DVINQIHGTPNAHS-JKSUJKDBSA-N 1 1 457.472 3.421 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)OC ZINC001305358604 1068610178 /nfs/dbraw/zinc/61/01/78/1068610178.db2.gz DHJUNMLSVGGEHK-YDLSIGKMSA-N 1 1 459.610 3.226 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303950636 1068612592 /nfs/dbraw/zinc/61/25/92/1068612592.db2.gz OCRJMWHEISAGEJ-NRFANRHFSA-N 1 1 468.646 3.125 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305372177 1068626889 /nfs/dbraw/zinc/62/68/89/1068626889.db2.gz UYZXVJHCPCFHAD-PMACEKPBSA-N 1 1 468.712 3.164 20 0 JGADMO CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001305379452 1068631660 /nfs/dbraw/zinc/63/16/60/1068631660.db2.gz XTMYXVYNUWIXJE-NRFANRHFSA-N 1 1 464.662 3.288 20 0 JGADMO CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001305382797 1068633781 /nfs/dbraw/zinc/63/37/81/1068633781.db2.gz BKTBRPJRCWWGJE-WMZHIEFXSA-N 1 1 451.619 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305390981 1068636106 /nfs/dbraw/zinc/63/61/06/1068636106.db2.gz GMRVWSKIGMNAFV-HBMCJLEFSA-N 1 1 456.635 3.094 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001305399280 1068641433 /nfs/dbraw/zinc/64/14/33/1068641433.db2.gz QBSJYYNUQFGLIQ-NJYVYQBISA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001305399280 1068641438 /nfs/dbraw/zinc/64/14/38/1068641438.db2.gz QBSJYYNUQFGLIQ-NJYVYQBISA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001305401944 1068643461 /nfs/dbraw/zinc/64/34/61/1068643461.db2.gz SSGQDCVWNJFYMD-ACIOBRDBSA-N 1 1 473.687 3.370 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)Cc2cnn(C)c2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305402131 1068643643 /nfs/dbraw/zinc/64/36/43/1068643643.db2.gz FFDWEKPMJZHIKH-CVDCTZTESA-N 1 1 451.619 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ncnn1C(C)(C)C ZINC001305406229 1068645698 /nfs/dbraw/zinc/64/56/98/1068645698.db2.gz VMFLHYQWMOIQJS-CNNODRBYSA-N 1 1 482.681 3.439 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cc(F)ccc1OC ZINC001305409230 1068648034 /nfs/dbraw/zinc/64/80/34/1068648034.db2.gz BFFFCPOHJIJZIL-YCRNBWNJSA-N 1 1 486.636 3.367 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cc(F)ccc1OC ZINC001305409231 1068648127 /nfs/dbraw/zinc/64/81/27/1068648127.db2.gz BFFFCPOHJIJZIL-YDHSSHFGSA-N 1 1 486.636 3.367 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001305409407 1068648751 /nfs/dbraw/zinc/64/87/51/1068648751.db2.gz CEYOWOXFKHACBF-ZWOKBUDYSA-N 1 1 493.578 3.243 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001305409388 1068648775 /nfs/dbraw/zinc/64/87/75/1068648775.db2.gz CEYOWOXFKHACBF-ABSDTBQOSA-N 1 1 493.578 3.243 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)cc1OC ZINC001305411767 1068650698 /nfs/dbraw/zinc/65/06/98/1068650698.db2.gz MBHGXRGCXZIZQR-DCLXLUIPSA-N 1 1 498.672 3.236 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOc1c(C)cccc1C ZINC001305413123 1068651973 /nfs/dbraw/zinc/65/19/73/1068651973.db2.gz SWZWJWHNKPDWBG-APTRMMRNSA-N 1 1 482.673 3.476 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCC(=O)N1CCCCCC1 ZINC001305420078 1068656430 /nfs/dbraw/zinc/65/64/30/1068656430.db2.gz LXCDILUPWPWZML-BHDDXSALSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001305423769 1068658920 /nfs/dbraw/zinc/65/89/20/1068658920.db2.gz APGNZDGRCSMNHZ-JKSUJKDBSA-N 1 1 456.557 3.171 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305427847 1068666700 /nfs/dbraw/zinc/66/67/00/1068666700.db2.gz YZLZZPGYTXWLAK-JTHBVZDNSA-N 1 1 474.694 3.377 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305429149 1068667728 /nfs/dbraw/zinc/66/77/28/1068667728.db2.gz GISWQUMYRICZTI-VGOFRKELSA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305429149 1068667734 /nfs/dbraw/zinc/66/77/34/1068667734.db2.gz GISWQUMYRICZTI-VGOFRKELSA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305429149 1068667739 /nfs/dbraw/zinc/66/77/39/1068667739.db2.gz GISWQUMYRICZTI-VGOFRKELSA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305429147 1068667957 /nfs/dbraw/zinc/66/79/57/1068667957.db2.gz GISWQUMYRICZTI-JTSKRJEESA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305429147 1068667962 /nfs/dbraw/zinc/66/79/62/1068667962.db2.gz GISWQUMYRICZTI-JTSKRJEESA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305429147 1068667969 /nfs/dbraw/zinc/66/79/69/1068667969.db2.gz GISWQUMYRICZTI-JTSKRJEESA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001305429845 1068668618 /nfs/dbraw/zinc/66/86/18/1068668618.db2.gz ORSZYSGBXRMPLO-AXHZCLLHSA-N 1 1 464.655 3.348 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305434288 1068671182 /nfs/dbraw/zinc/67/11/82/1068671182.db2.gz OLQKJTNIIONHNA-FQEVSTJZSA-N 1 1 456.683 3.418 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305434288 1068671188 /nfs/dbraw/zinc/67/11/88/1068671188.db2.gz OLQKJTNIIONHNA-FQEVSTJZSA-N 1 1 456.683 3.418 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305434288 1068671194 /nfs/dbraw/zinc/67/11/94/1068671194.db2.gz OLQKJTNIIONHNA-FQEVSTJZSA-N 1 1 456.683 3.418 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305438462 1068673975 /nfs/dbraw/zinc/67/39/75/1068673975.db2.gz GQSRREHDFMRJOC-SXWKCWPCSA-N 1 1 495.672 3.469 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305441619 1068677109 /nfs/dbraw/zinc/67/71/09/1068677109.db2.gz YFXVFOFMZQVIRU-XMSQKQJNSA-N 1 1 481.645 3.058 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001305443036 1068678209 /nfs/dbraw/zinc/67/82/09/1068678209.db2.gz HUELLFUOSYTCJV-SUFZMXRRSA-N 1 1 451.681 3.028 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC1(O)CCOCC1 ZINC001305443463 1068678268 /nfs/dbraw/zinc/67/82/68/1068678268.db2.gz JNXKZKXFNUUHFK-NJYVYQBISA-N 1 1 463.667 3.049 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305444474 1068679555 /nfs/dbraw/zinc/67/95/55/1068679555.db2.gz SLBMKRUVPHVUPJ-PWRODBHTSA-N 1 1 478.682 3.332 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305453234 1068690261 /nfs/dbraw/zinc/69/02/61/1068690261.db2.gz FINHXRIRFLWDNI-PMACEKPBSA-N 1 1 488.702 3.147 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305454869 1068693250 /nfs/dbraw/zinc/69/32/50/1068693250.db2.gz APIZZXCTVOMJNX-CVDCTZTESA-N 1 1 453.635 3.015 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305454868 1068693275 /nfs/dbraw/zinc/69/32/75/1068693275.db2.gz APIZZXCTVOMJNX-AUSIDOKSSA-N 1 1 453.635 3.015 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305456535 1068696479 /nfs/dbraw/zinc/69/64/79/1068696479.db2.gz NWTFTQNIWLFFSB-LJQANCHMSA-N 1 1 486.636 3.440 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305456535 1068696484 /nfs/dbraw/zinc/69/64/84/1068696484.db2.gz NWTFTQNIWLFFSB-LJQANCHMSA-N 1 1 486.636 3.440 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001305460983 1068704004 /nfs/dbraw/zinc/70/40/04/1068704004.db2.gz YRJSOFBGJAFBBL-LEEZEASISA-N 1 1 494.606 3.458 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CCC[NH+]1CCOCC1 ZINC001305464342 1068707547 /nfs/dbraw/zinc/70/75/47/1068707547.db2.gz VEWPPDQJGDJRNP-QGZVFWFLSA-N 1 1 464.014 3.005 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001305469220 1068712318 /nfs/dbraw/zinc/71/23/18/1068712318.db2.gz MYVBUWLGORLVCQ-AUSIDOKSSA-N 1 1 451.681 3.461 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001305469225 1068712496 /nfs/dbraw/zinc/71/24/96/1068712496.db2.gz MYVBUWLGORLVCQ-CVDCTZTESA-N 1 1 451.681 3.461 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305492772 1068730758 /nfs/dbraw/zinc/73/07/58/1068730758.db2.gz UUAIARNVSAVOSB-BDTNDASRSA-N 1 1 462.683 3.137 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001305501799 1068736993 /nfs/dbraw/zinc/73/69/93/1068736993.db2.gz DGZRNNNMEZXWQV-LJQANCHMSA-N 1 1 462.664 3.081 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001305503536 1068738551 /nfs/dbraw/zinc/73/85/51/1068738551.db2.gz CYRPCWNRNFSEDG-ACRUOGEOSA-N 1 1 460.646 3.058 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@H](C)O)cc1 ZINC001305505847 1068741866 /nfs/dbraw/zinc/74/18/66/1068741866.db2.gz PPWRWDAWCKFNLB-SFTDATJTSA-N 1 1 468.646 3.028 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@H](C)O)cc1 ZINC001305505847 1068741875 /nfs/dbraw/zinc/74/18/75/1068741875.db2.gz PPWRWDAWCKFNLB-SFTDATJTSA-N 1 1 468.646 3.028 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cnn(-c2ccccc2)c1 ZINC001305506096 1068742747 /nfs/dbraw/zinc/74/27/47/1068742747.db2.gz REBVCPQFCWRWCQ-JOCHJYFZSA-N 1 1 492.672 3.406 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cnn(-c2ccccc2)c1 ZINC001305506096 1068742757 /nfs/dbraw/zinc/74/27/57/1068742757.db2.gz REBVCPQFCWRWCQ-JOCHJYFZSA-N 1 1 492.672 3.406 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@]1(C)CCCS1 ZINC001305507237 1068743878 /nfs/dbraw/zinc/74/38/78/1068743878.db2.gz YYUXUXBJJMHUMY-XXBNENTESA-N 1 1 450.697 3.458 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@]1(C)CCCS1 ZINC001305507237 1068743885 /nfs/dbraw/zinc/74/38/85/1068743885.db2.gz YYUXUXBJJMHUMY-XXBNENTESA-N 1 1 450.697 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC1(SC)CCOCC1 ZINC001305511890 1068753588 /nfs/dbraw/zinc/75/35/88/1068753588.db2.gz WMAWXMDWFGBFBQ-IBGZPJMESA-N 1 1 461.680 3.150 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305512985 1068756259 /nfs/dbraw/zinc/75/62/59/1068756259.db2.gz YQEJRUDECBJWLE-LJQANCHMSA-N 1 1 480.617 3.464 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001305513186 1068757149 /nfs/dbraw/zinc/75/71/49/1068757149.db2.gz IZYCOWJLFFOFBI-GHTZIAJQSA-N 1 1 489.064 3.439 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/Sc2cc(F)ccc2F)CC1 ZINC001305515556 1068763045 /nfs/dbraw/zinc/76/30/45/1068763045.db2.gz FFXGTKKLXLSCKQ-VPFXQZGESA-N 1 1 459.562 3.462 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305516113 1068763985 /nfs/dbraw/zinc/76/39/85/1068763985.db2.gz PBPRODFDVJERKQ-RTBURBONSA-N 1 1 464.655 3.348 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305516112 1068764107 /nfs/dbraw/zinc/76/41/07/1068764107.db2.gz PBPRODFDVJERKQ-RBUKOAKNSA-N 1 1 464.655 3.348 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C)c(Br)c2)CC1 ZINC001305517121 1068765537 /nfs/dbraw/zinc/76/55/37/1068765537.db2.gz OVECSXBCBJEWCL-NRFANRHFSA-N 1 1 458.400 3.263 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305517429 1068766226 /nfs/dbraw/zinc/76/62/26/1068766226.db2.gz FYBWONADGQPXNO-XZOQPEGZSA-N 1 1 497.688 3.276 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305523705 1068776561 /nfs/dbraw/zinc/77/65/61/1068776561.db2.gz BCFJBNDWKPETQF-OAQYLSRUSA-N 1 1 487.668 3.294 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305528497 1068782609 /nfs/dbraw/zinc/78/26/09/1068782609.db2.gz MGPPPSBHXIREAB-VXKWHMMOSA-N 1 1 484.693 3.388 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305529817 1068784723 /nfs/dbraw/zinc/78/47/23/1068784723.db2.gz HAAULSVPAHUTFT-RBBKRZOGSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305529815 1068784755 /nfs/dbraw/zinc/78/47/55/1068784755.db2.gz HAAULSVPAHUTFT-IFMALSPDSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001305531077 1068786844 /nfs/dbraw/zinc/78/68/44/1068786844.db2.gz RXTSLQJIJPVIPJ-UXHICEINSA-N 1 1 474.675 3.081 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305537244 1068800860 /nfs/dbraw/zinc/80/08/60/1068800860.db2.gz QLIAGNWJLAWGTH-XMMPIXPASA-N 1 1 495.716 3.448 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001305539048 1068805871 /nfs/dbraw/zinc/80/58/71/1068805871.db2.gz OGVCWSRVZQYJDT-BJESRGMDSA-N 1 1 471.646 3.026 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305540038 1068808274 /nfs/dbraw/zinc/80/82/74/1068808274.db2.gz HXGMUNVBRPBAEJ-OYRHQHFDSA-N 1 1 495.716 3.445 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305540038 1068808288 /nfs/dbraw/zinc/80/82/88/1068808288.db2.gz HXGMUNVBRPBAEJ-OYRHQHFDSA-N 1 1 495.716 3.445 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305540033 1068808884 /nfs/dbraw/zinc/80/88/84/1068808884.db2.gz HXGMUNVBRPBAEJ-ARNLJNQMSA-N 1 1 495.716 3.445 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305540033 1068808890 /nfs/dbraw/zinc/80/88/90/1068808890.db2.gz HXGMUNVBRPBAEJ-ARNLJNQMSA-N 1 1 495.716 3.445 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1Cc1cnn(C)c1C ZINC001305541871 1068813702 /nfs/dbraw/zinc/81/37/02/1068813702.db2.gz QSXUBGDGBUFKAX-GOSISDBHSA-N 1 1 467.618 3.221 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3cc(C)on3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305542658 1068815533 /nfs/dbraw/zinc/81/55/33/1068815533.db2.gz OZKXRKTVPANPLQ-SESVDKBCSA-N 1 1 473.666 3.298 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001305542890 1068816219 /nfs/dbraw/zinc/81/62/19/1068816219.db2.gz GPJIBFJYBCYKOC-FDFHNCONSA-N 1 1 494.750 3.144 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001305543103 1068816955 /nfs/dbraw/zinc/81/69/55/1068816955.db2.gz ZNBBZBXSXZTOBI-KRWDZBQOSA-N 1 1 451.662 3.000 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccc(C(OC)OC)c1 ZINC001305543256 1068817075 /nfs/dbraw/zinc/81/70/75/1068817075.db2.gz TYNISLJPFFUGMC-UGKGYDQZSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001305543992 1068818922 /nfs/dbraw/zinc/81/89/22/1068818922.db2.gz FDEACQRMIHCIHL-FHWLQOOXSA-N 1 1 452.644 3.109 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544833 1068821746 /nfs/dbraw/zinc/82/17/46/1068821746.db2.gz RTGYTMLYKLVWBH-LOSJGSFVSA-N 1 1 489.753 3.145 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001305545673 1068823393 /nfs/dbraw/zinc/82/33/93/1068823393.db2.gz OXYWYLGJHZFRPM-OALUTQOASA-N 1 1 453.591 3.414 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1c(C)coc1C ZINC001305545766 1068824137 /nfs/dbraw/zinc/82/41/37/1068824137.db2.gz YOQRGHRXWCYIRL-UGKGYDQZSA-N 1 1 458.651 3.281 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001305551050 1068829422 /nfs/dbraw/zinc/82/94/22/1068829422.db2.gz KQIGTXOURQUHNS-FUHWJXTLSA-N 1 1 453.509 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001305551050 1068829445 /nfs/dbraw/zinc/82/94/45/1068829445.db2.gz KQIGTXOURQUHNS-FUHWJXTLSA-N 1 1 453.509 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](CC)C1CC1 ZINC001305557852 1068835072 /nfs/dbraw/zinc/83/50/72/1068835072.db2.gz FDORBUFTRRFEQQ-HKUYNNGSSA-N 1 1 450.628 3.006 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305569979 1068844393 /nfs/dbraw/zinc/84/43/93/1068844393.db2.gz OQJIFUBRTPSWNP-XUVXKRRUSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305578739 1068850459 /nfs/dbraw/zinc/85/04/59/1068850459.db2.gz RGOYXGXACUJIOP-QZTJIDSGSA-N 1 1 456.616 3.290 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305578744 1068851068 /nfs/dbraw/zinc/85/10/68/1068851068.db2.gz RGOYXGXACUJIOP-ZWKOTPCHSA-N 1 1 456.616 3.290 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001305580348 1068851708 /nfs/dbraw/zinc/85/17/08/1068851708.db2.gz JMPJUISFBIRYPR-WOJBJXKFSA-N 1 1 456.635 3.430 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305581337 1068852751 /nfs/dbraw/zinc/85/27/51/1068852751.db2.gz WWBILGITTNXKKZ-CVEARBPZSA-N 1 1 453.429 3.249 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCOCC1 ZINC001305585228 1068854906 /nfs/dbraw/zinc/85/49/06/1068854906.db2.gz KOZMBLOWIZKUEI-HXUWFJFHSA-N 1 1 481.645 3.441 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305587642 1068857517 /nfs/dbraw/zinc/85/75/17/1068857517.db2.gz ULZOPWXQZFBGMG-BVSLBCMMSA-N 1 1 459.660 3.327 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305587642 1068857527 /nfs/dbraw/zinc/85/75/27/1068857527.db2.gz ULZOPWXQZFBGMG-BVSLBCMMSA-N 1 1 459.660 3.327 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001305602168 1068864635 /nfs/dbraw/zinc/86/46/35/1068864635.db2.gz APQJHEBMZOODDM-CYBMUJFWSA-N 1 1 472.478 3.468 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001305602163 1068864937 /nfs/dbraw/zinc/86/49/37/1068864937.db2.gz APLHQJYLJYPWNX-NHCUHLMSSA-N 1 1 455.651 3.408 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001305602163 1068864952 /nfs/dbraw/zinc/86/49/52/1068864952.db2.gz APLHQJYLJYPWNX-NHCUHLMSSA-N 1 1 455.651 3.408 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001305602166 1068865128 /nfs/dbraw/zinc/86/51/28/1068865128.db2.gz APLHQJYLJYPWNX-SFTDATJTSA-N 1 1 455.651 3.408 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001305602166 1068865143 /nfs/dbraw/zinc/86/51/43/1068865143.db2.gz APLHQJYLJYPWNX-SFTDATJTSA-N 1 1 455.651 3.408 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305603005 1068865934 /nfs/dbraw/zinc/86/59/34/1068865934.db2.gz HTFBIGATEJAPDX-UXHICEINSA-N 1 1 491.681 3.080 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001305602794 1068866302 /nfs/dbraw/zinc/86/63/02/1068866302.db2.gz FTFYOEMUGOLGOH-PZJWPPBQSA-N 1 1 456.610 3.453 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC001305603391 1068867780 /nfs/dbraw/zinc/86/77/80/1068867780.db2.gz KFLSMZBEJNAKTG-UYAOXDASSA-N 1 1 470.618 3.259 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001305603670 1068867823 /nfs/dbraw/zinc/86/78/23/1068867823.db2.gz AJKLTDZMLMWSGT-RXVVDRJESA-N 1 1 495.093 3.333 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001305603830 1068868588 /nfs/dbraw/zinc/86/85/88/1068868588.db2.gz DIEVQZUEJPWXOO-GHTZIAJQSA-N 1 1 469.663 3.229 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001305603975 1068868608 /nfs/dbraw/zinc/86/86/08/1068868608.db2.gz BLSXFEHHAJVFCA-UCLAIMLFSA-N 1 1 463.966 3.452 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS(=O)(=O)CC1 ZINC001305604136 1068869324 /nfs/dbraw/zinc/86/93/24/1068869324.db2.gz CFHNCXZTRCKBCB-DLBZAZTESA-N 1 1 465.689 3.097 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001305604380 1068870043 /nfs/dbraw/zinc/87/00/43/1068870043.db2.gz BJZRHIFPNDONEG-LJQANCHMSA-N 1 1 475.659 3.086 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305604641 1068870871 /nfs/dbraw/zinc/87/08/71/1068870871.db2.gz BQCBALJSDXDYEC-VFNWGFHPSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001305604990 1068871186 /nfs/dbraw/zinc/87/11/86/1068871186.db2.gz FJXSNEDBNGKKAZ-GOSISDBHSA-N 1 1 468.606 3.010 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001305604913 1068871545 /nfs/dbraw/zinc/87/15/45/1068871545.db2.gz CLBYREDOXLMFEC-WMZOPIPTSA-N 1 1 492.466 3.357 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 ZINC001305606252 1068873621 /nfs/dbraw/zinc/87/36/21/1068873621.db2.gz SKGHQTXFQZDSJS-RBBKRZOGSA-N 1 1 454.619 3.040 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001305606258 1068873732 /nfs/dbraw/zinc/87/37/32/1068873732.db2.gz SKXOXBGTWCUJAL-IBGZPJMESA-N 1 1 454.619 3.246 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001305606621 1068874401 /nfs/dbraw/zinc/87/44/01/1068874401.db2.gz NDTXBYZHVMZQFW-MRXNPFEDSA-N 1 1 459.549 3.133 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)NC)CC1 ZINC001305607099 1068875211 /nfs/dbraw/zinc/87/52/11/1068875211.db2.gz LZQUJYOZPJOTKC-OAHLLOKOSA-N 1 1 468.433 3.444 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 ZINC001305607599 1068875337 /nfs/dbraw/zinc/87/53/37/1068875337.db2.gz XQTOVYAMAVTJPN-FQEVSTJZSA-N 1 1 484.645 3.301 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001305607633 1068876640 /nfs/dbraw/zinc/87/66/40/1068876640.db2.gz NAXIEVVRYCDJNS-NYHFZMIOSA-N 1 1 464.973 3.499 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001305607804 1068876694 /nfs/dbraw/zinc/87/66/94/1068876694.db2.gz ZGYCZJAKDJNLQL-NBGIEHNGSA-N 1 1 454.619 3.494 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cnccn1 ZINC001305607932 1068877430 /nfs/dbraw/zinc/87/74/30/1068877430.db2.gz NEASHPSDRHHBJA-HNNXBMFYSA-N 1 1 461.412 3.235 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001305607957 1068877585 /nfs/dbraw/zinc/87/75/85/1068877585.db2.gz NNRWUDRMWLVMLJ-UXHICEINSA-N 1 1 456.635 3.377 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001305608102 1068878103 /nfs/dbraw/zinc/87/81/03/1068878103.db2.gz OPTIHLRPCUJNIM-ZHRRBRCNSA-N 1 1 475.435 3.154 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001305608259 1068878234 /nfs/dbraw/zinc/87/82/34/1068878234.db2.gz QBSQRLXANMVXGH-WDYCEAGBSA-N 1 1 491.434 3.373 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001305608312 1068878859 /nfs/dbraw/zinc/87/88/59/1068878859.db2.gz OLNFQMKMZXQSKH-ROUUACIJSA-N 1 1 463.026 3.470 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001305608748 1068879448 /nfs/dbraw/zinc/87/94/48/1068879448.db2.gz QOQRTCASSFKCGG-CKJXQJPGSA-N 1 1 481.439 3.150 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ncc(Cl)n1C ZINC001305608451 1068879470 /nfs/dbraw/zinc/87/94/70/1068879470.db2.gz UMOQQHCAHNNEDP-OAHLLOKOSA-N 1 1 459.982 3.427 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001305608868 1068880252 /nfs/dbraw/zinc/88/02/52/1068880252.db2.gz CBTIMWOSJFKWRX-GOSISDBHSA-N 1 1 456.664 3.101 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001305609456 1068882132 /nfs/dbraw/zinc/88/21/32/1068882132.db2.gz DHTMEDKYPNPOLB-LSQLZVHASA-N 1 1 457.648 3.344 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001305609579 1068882482 /nfs/dbraw/zinc/88/24/82/1068882482.db2.gz WLBYXUNAVBRBIT-KSZLIROESA-N 1 1 473.576 3.379 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 ZINC001305610082 1068884127 /nfs/dbraw/zinc/88/41/27/1068884127.db2.gz VUBXXRLOZPTGQZ-ROUUACIJSA-N 1 1 462.570 3.176 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305610603 1068884806 /nfs/dbraw/zinc/88/48/06/1068884806.db2.gz WPKFBYWTVSHRQP-INIZCTEOSA-N 1 1 454.040 3.342 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001305610338 1068884905 /nfs/dbraw/zinc/88/49/05/1068884905.db2.gz GWQFGIUVVFHFNR-IBGZPJMESA-N 1 1 467.593 3.495 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001305610607 1068884939 /nfs/dbraw/zinc/88/49/39/1068884939.db2.gz WQABDHUWJKITRI-DLBZAZTESA-N 1 1 494.482 3.459 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001305610931 1068885484 /nfs/dbraw/zinc/88/54/84/1068885484.db2.gz XEIOVVACRBAKBL-NFBKMPQASA-N 1 1 467.618 3.094 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001305611832 1068886690 /nfs/dbraw/zinc/88/66/90/1068886690.db2.gz NPJCZFNDANSEFO-IBGZPJMESA-N 1 1 467.593 3.034 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001305613060 1068888258 /nfs/dbraw/zinc/88/82/58/1068888258.db2.gz UJHHZXFMCGKODT-NQIIRXRSSA-N 1 1 451.623 3.195 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001305612938 1068888439 /nfs/dbraw/zinc/88/84/39/1068888439.db2.gz TXLQYUAEOJEIQM-GOSISDBHSA-N 1 1 497.047 3.149 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001305612881 1068888574 /nfs/dbraw/zinc/88/85/74/1068888574.db2.gz SHSXPKOQKCFBMV-LJQANCHMSA-N 1 1 466.586 3.239 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCOC1 ZINC001305614068 1068890556 /nfs/dbraw/zinc/89/05/56/1068890556.db2.gz JBCUUXDIUUXJIX-LEWJYISDSA-N 1 1 470.666 3.045 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC001305614416 1068891123 /nfs/dbraw/zinc/89/11/23/1068891123.db2.gz KPVPEFAUHQNKKA-WMQCIHAUSA-N 1 1 470.618 3.318 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001305614247 1068891298 /nfs/dbraw/zinc/89/12/98/1068891298.db2.gz NHFYYISNQUZXIE-FHWLQOOXSA-N 1 1 451.619 3.497 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305614549 1068892178 /nfs/dbraw/zinc/89/21/78/1068892178.db2.gz PANQNSNCNPFDKL-YLJYHZDGSA-N 1 1 451.575 3.045 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001305614975 1068892192 /nfs/dbraw/zinc/89/21/92/1068892192.db2.gz NZHFFTGYOAFVLK-IFMALSPDSA-N 1 1 468.646 3.301 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305615071 1068892878 /nfs/dbraw/zinc/89/28/78/1068892878.db2.gz SDYAMFLHPAWTNA-HFSMHLIXSA-N 1 1 484.649 3.205 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001305615707 1068893331 /nfs/dbraw/zinc/89/33/31/1068893331.db2.gz WYBYLRNRRDEQBP-QZTJIDSGSA-N 1 1 471.631 3.066 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001305615580 1068893349 /nfs/dbraw/zinc/89/33/49/1068893349.db2.gz AXAWPIBXBIXHHQ-MGPUTAFESA-N 1 1 475.544 3.147 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)NC)CC1 ZINC001305615476 1068893676 /nfs/dbraw/zinc/89/36/76/1068893676.db2.gz WOVDMCKISBOZSV-GOSISDBHSA-N 1 1 465.602 3.293 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001305615921 1068894528 /nfs/dbraw/zinc/89/45/28/1068894528.db2.gz RSRMPPUOKVSXLH-PMACEKPBSA-N 1 1 493.697 3.084 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1 ZINC001305615971 1068895198 /nfs/dbraw/zinc/89/51/98/1068895198.db2.gz SGXPXMHNPNFSBM-PZJWPPBQSA-N 1 1 488.681 3.493 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305616621 1068895783 /nfs/dbraw/zinc/89/57/83/1068895783.db2.gz HNBAIROLUVVDLQ-SLFFLAALSA-N 1 1 494.681 3.321 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001305616439 1068895812 /nfs/dbraw/zinc/89/58/12/1068895812.db2.gz BFFNQWSUPNZZQC-AUSIDOKSSA-N 1 1 465.650 3.119 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001305617058 1068897181 /nfs/dbraw/zinc/89/71/81/1068897181.db2.gz GQCDXLXHFBZKRE-ZWKOTPCHSA-N 1 1 461.680 3.057 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001305617433 1068898156 /nfs/dbraw/zinc/89/81/56/1068898156.db2.gz HNMVIBQDGJVWQV-NZQKXSOJSA-N 1 1 451.619 3.219 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001305617707 1068898661 /nfs/dbraw/zinc/89/86/61/1068898661.db2.gz IUUAIBTYFNRFEU-RTWAWAEBSA-N 1 1 471.646 3.382 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnccn2)CC1 ZINC001305617764 1068899435 /nfs/dbraw/zinc/89/94/35/1068899435.db2.gz CIQSSMGRHVNXKU-QFIPXVFZSA-N 1 1 478.645 3.321 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001305617808 1068899464 /nfs/dbraw/zinc/89/94/64/1068899464.db2.gz APXKANMDSHSHLI-RXVVDRJESA-N 1 1 469.590 3.165 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001305618213 1068900968 /nfs/dbraw/zinc/90/09/68/1068900968.db2.gz KRRYOZKYXKSJCG-SFHVURJKSA-N 1 1 453.557 3.069 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001305618702 1068901381 /nfs/dbraw/zinc/90/13/81/1068901381.db2.gz DGPADDZSDKYEJB-AZUAARDMSA-N 1 1 479.094 3.475 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)c2ccccc2C1 ZINC001305619306 1068902725 /nfs/dbraw/zinc/90/27/25/1068902725.db2.gz IMKSDXDQUIYMAC-LJQANCHMSA-N 1 1 481.670 3.456 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001305619179 1068902753 /nfs/dbraw/zinc/90/27/53/1068902753.db2.gz FIDQWDWCPLIJSR-YADHBBJMSA-N 1 1 468.646 3.405 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001305619181 1068902939 /nfs/dbraw/zinc/90/29/39/1068902939.db2.gz NZLJYXPLTJXLOU-IBGZPJMESA-N 1 1 498.701 3.484 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305619245 1068902953 /nfs/dbraw/zinc/90/29/53/1068902953.db2.gz FWTLBJSYXKBXBX-DOIPELPJSA-N 1 1 483.723 3.331 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001305619964 1068904130 /nfs/dbraw/zinc/90/41/30/1068904130.db2.gz KIRQBBGBNCJZGC-LEWJYISDSA-N 1 1 454.619 3.015 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001305619972 1068904172 /nfs/dbraw/zinc/90/41/72/1068904172.db2.gz KIRQBBGBNCJZGC-NHCUHLMSSA-N 1 1 454.619 3.015 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001305620114 1068905073 /nfs/dbraw/zinc/90/50/73/1068905073.db2.gz PXTJHWQLMXSJAP-MAUKXSAKSA-N 1 1 458.636 3.440 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001305620318 1068905684 /nfs/dbraw/zinc/90/56/84/1068905684.db2.gz JBPWHRPRIPKSRU-NRSPTQNISA-N 1 1 491.681 3.185 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305621024 1068906803 /nfs/dbraw/zinc/90/68/03/1068906803.db2.gz ARHQOJYRHIYGJC-BURNTYAHSA-N 1 1 494.681 3.178 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001305621041 1068906911 /nfs/dbraw/zinc/90/69/11/1068906911.db2.gz YAJCTNDZOMQENJ-NQIIRXRSSA-N 1 1 459.038 3.454 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305620934 1068906927 /nfs/dbraw/zinc/90/69/27/1068906927.db2.gz KYADYYNAASFZFN-QGZVFWFLSA-N 1 1 484.066 3.254 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC ZINC001305620909 1068907105 /nfs/dbraw/zinc/90/71/05/1068907105.db2.gz XSBFMKUASVHGTI-PKOBYXMFSA-N 1 1 465.689 3.269 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001305621675 1068908059 /nfs/dbraw/zinc/90/80/59/1068908059.db2.gz WPHQBUXXCNXNON-OAQYLSRUSA-N 1 1 450.635 3.416 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001305622077 1068909532 /nfs/dbraw/zinc/90/95/32/1068909532.db2.gz YHRFCPHACOVCEU-YQVWRLOYSA-N 1 1 479.551 3.403 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001305622147 1068910375 /nfs/dbraw/zinc/91/03/75/1068910375.db2.gz YQIZAYQTYCZZJE-UYAOXDASSA-N 1 1 468.606 3.079 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001305622429 1068911140 /nfs/dbraw/zinc/91/11/40/1068911140.db2.gz RFWYFOAAOMUIHF-NRFANRHFSA-N 1 1 478.645 3.321 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001305622706 1068911177 /nfs/dbraw/zinc/91/11/77/1068911177.db2.gz PLWJKFXKXHVCQR-GIDAYGSESA-N 1 1 457.619 3.193 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001305622815 1068911920 /nfs/dbraw/zinc/91/19/20/1068911920.db2.gz UBBZPXNHJWXYLH-IRXDYDNUSA-N 1 1 494.434 3.349 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(OC)c(OC)cc2C1 ZINC001305622932 1068912652 /nfs/dbraw/zinc/91/26/52/1068912652.db2.gz UTIFRFXHEUWLEA-IBGZPJMESA-N 1 1 481.645 3.450 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001305623133 1068913351 /nfs/dbraw/zinc/91/33/51/1068913351.db2.gz RTGVTVXXLHWAEG-BLJFENDVSA-N 1 1 487.693 3.413 20 0 JGADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001305623519 1068913740 /nfs/dbraw/zinc/91/37/40/1068913740.db2.gz LMRCITSNTGHAHQ-OFNKIYASSA-N 1 1 468.646 3.279 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001305623475 1068914510 /nfs/dbraw/zinc/91/45/10/1068914510.db2.gz YIBMGCNTDOZMKR-GHTZIAJQSA-N 1 1 475.037 3.362 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)c2ccccc2C1 ZINC001305623648 1068915135 /nfs/dbraw/zinc/91/51/35/1068915135.db2.gz ZICCCSKYJLQZJS-FQEVSTJZSA-N 1 1 450.635 3.326 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001305623735 1068915812 /nfs/dbraw/zinc/91/58/12/1068915812.db2.gz ZYVHILIYVOOJRT-JOCHJYFZSA-N 1 1 497.688 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1C(C)(C)C ZINC001305624154 1068916265 /nfs/dbraw/zinc/91/62/65/1068916265.db2.gz ZQWJKFRJEZMNFO-OAQYLSRUSA-N 1 1 475.726 3.077 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)nnc1C(C)(C)C ZINC001305623973 1068916345 /nfs/dbraw/zinc/91/63/45/1068916345.db2.gz XXILMQGJBLNFBI-GUDVDZBRSA-N 1 1 494.681 3.056 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001305624198 1068917355 /nfs/dbraw/zinc/91/73/55/1068917355.db2.gz PJCXQQQQSZIQHP-YDHSSHFGSA-N 1 1 492.615 3.337 20 0 JGADMO CC[C@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC001305624730 1068918298 /nfs/dbraw/zinc/91/82/98/1068918298.db2.gz TZKVGOVFMLPVSO-RBBKRZOGSA-N 1 1 468.646 3.137 20 0 JGADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001305625019 1068918655 /nfs/dbraw/zinc/91/86/55/1068918655.db2.gz ALFRLDNIHSUTEB-NFBKMPQASA-N 1 1 498.672 3.253 20 0 JGADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001305625019 1068918660 /nfs/dbraw/zinc/91/86/60/1068918660.db2.gz ALFRLDNIHSUTEB-NFBKMPQASA-N 1 1 498.672 3.253 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001305626630 1068923771 /nfs/dbraw/zinc/92/37/71/1068923771.db2.gz BXIRCWRFGODOHD-GBESFXJTSA-N 1 1 472.634 3.186 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305631221 1068936522 /nfs/dbraw/zinc/93/65/22/1068936522.db2.gz ZSZKWQIFZNMOKD-SESVDKBCSA-N 1 1 486.661 3.477 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305639879 1068954952 /nfs/dbraw/zinc/95/49/52/1068954952.db2.gz XPWUBYPRQMDKCI-ICSRJNTNSA-N 1 1 460.648 3.208 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001305641045 1068958123 /nfs/dbraw/zinc/95/81/23/1068958123.db2.gz BVZBUSIXZHPHFU-MIZPHKNDSA-N 1 1 484.645 3.326 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001305641048 1068958152 /nfs/dbraw/zinc/95/81/52/1068958152.db2.gz BVZBUSIXZHPHFU-SXWKCWPCSA-N 1 1 484.645 3.326 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001305642178 1068961903 /nfs/dbraw/zinc/96/19/03/1068961903.db2.gz OXYAJFAJUCVIBF-AMGIVPHBSA-N 1 1 498.672 3.080 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001305643721 1068966924 /nfs/dbraw/zinc/96/69/24/1068966924.db2.gz NYKJJHNSKIRCIB-VQTJNVASSA-N 1 1 451.619 3.116 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001305643724 1068967090 /nfs/dbraw/zinc/96/70/90/1068967090.db2.gz NYKJJHNSKIRCIB-WOJBJXKFSA-N 1 1 451.619 3.116 20 0 JGADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCCn2cc[nH+]c2C)CC1 ZINC001305645922 1068974319 /nfs/dbraw/zinc/97/43/19/1068974319.db2.gz OCJPSYHRYBSMTF-LJQANCHMSA-N 1 1 499.063 3.230 20 0 JGADMO CC[C@@H](c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC001305651002 1068987918 /nfs/dbraw/zinc/98/79/18/1068987918.db2.gz RAORROPMWGOLOA-HLAWJBBLSA-N 1 1 470.643 3.463 20 0 JGADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001305651410 1068989048 /nfs/dbraw/zinc/98/90/48/1068989048.db2.gz ZNVDGTMPHFXWIW-YADHBBJMSA-N 1 1 475.726 3.168 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001305660467 1069000748 /nfs/dbraw/zinc/00/07/48/1069000748.db2.gz MWCUJLYMDDYFKM-WWNPGLIZSA-N 1 1 482.673 3.139 20 0 JGADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001305660113 1069000788 /nfs/dbraw/zinc/00/07/88/1069000788.db2.gz KOARAYZHWLTXAA-RUZDIDTESA-N 1 1 495.716 3.056 20 0 JGADMO CC[C@H](c1nnc(N2CCC(S(=O)(=O)CC)CC2)n1CCn1cc[nH+]c1C)c1ccccc1 ZINC001305665261 1069008199 /nfs/dbraw/zinc/00/81/99/1069008199.db2.gz HEZRGDBUIXGJRX-QFIPXVFZSA-N 1 1 470.643 3.429 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305669250 1069013935 /nfs/dbraw/zinc/01/39/35/1069013935.db2.gz DBZZYLGGRZESEZ-LADGPHEKSA-N 1 1 482.673 3.283 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305669250 1069013947 /nfs/dbraw/zinc/01/39/47/1069013947.db2.gz DBZZYLGGRZESEZ-LADGPHEKSA-N 1 1 482.673 3.283 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](F)COC)c1ccccc1 ZINC001305672351 1069019945 /nfs/dbraw/zinc/01/99/45/1069019945.db2.gz USTCKRFAEJMZQH-GOTSBHOMSA-N 1 1 469.609 3.250 20 0 JGADMO CC[C@H](c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001305675267 1069027383 /nfs/dbraw/zinc/02/73/83/1069027383.db2.gz BHYWOCBILSYRCA-QHCPKHFHSA-N 1 1 492.672 3.017 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001305676586 1069030483 /nfs/dbraw/zinc/03/04/83/1069030483.db2.gz SSBQUNMAERYLAB-YFNKSVMNSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001305676609 1069030933 /nfs/dbraw/zinc/03/09/33/1069030933.db2.gz HKMLLUHKNCNASY-AEFFLSMTSA-N 1 1 452.525 3.029 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001305687600 1069049294 /nfs/dbraw/zinc/04/92/94/1069049294.db2.gz PYGTVLLGSFUMPW-JOCHJYFZSA-N 1 1 463.026 3.500 20 0 JGADMO CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001305702469 1069084679 /nfs/dbraw/zinc/08/46/79/1069084679.db2.gz MOYAGOVITAGBJZ-IGKWTDBASA-N 1 1 474.694 3.376 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001305703538 1069087131 /nfs/dbraw/zinc/08/71/31/1069087131.db2.gz BBACDNVHKTZUNW-TZIWHRDSSA-N 1 1 499.660 3.066 20 0 JGADMO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001305704966 1069092026 /nfs/dbraw/zinc/09/20/26/1069092026.db2.gz HGIMYOHAUSBLQK-DEOSSOPVSA-N 1 1 479.677 3.152 20 0 JGADMO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001305707144 1069097448 /nfs/dbraw/zinc/09/74/48/1069097448.db2.gz PVGSFPRPJJBPMS-REWPJTCUSA-N 1 1 457.667 3.188 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001305707115 1069097491 /nfs/dbraw/zinc/09/74/91/1069097491.db2.gz QDXPQRVVULDANR-QRQLOZEOSA-N 1 1 488.599 3.188 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001305708102 1069099987 /nfs/dbraw/zinc/09/99/87/1069099987.db2.gz UXXUNCFWNZCCDO-ONTIZHBOSA-N 1 1 460.667 3.133 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001305708426 1069100460 /nfs/dbraw/zinc/10/04/60/1069100460.db2.gz WQOSCIBMLINGJD-NHCUHLMSSA-N 1 1 462.683 3.426 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CC)[C@H](C)C1)N1CCOCC1 ZINC001305715629 1069121012 /nfs/dbraw/zinc/12/10/12/1069121012.db2.gz NGGKDAQJIZIHKH-PUHATCMVSA-N 1 1 462.683 3.187 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)N1CCOCC1 ZINC001305715629 1069121022 /nfs/dbraw/zinc/12/10/22/1069121022.db2.gz NGGKDAQJIZIHKH-PUHATCMVSA-N 1 1 462.683 3.187 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305722366 1069133771 /nfs/dbraw/zinc/13/37/71/1069133771.db2.gz KSUGHQCDBLVPCE-JOCHJYFZSA-N 1 1 470.662 3.294 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)cc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305724092 1069138154 /nfs/dbraw/zinc/13/81/54/1069138154.db2.gz QFEJYCMCPZMYLU-LJQANCHMSA-N 1 1 465.602 3.301 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001305724233 1069138515 /nfs/dbraw/zinc/13/85/15/1069138515.db2.gz SMTADLFAQRVFHK-IRXDYDNUSA-N 1 1 470.647 3.352 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305724207 1069138565 /nfs/dbraw/zinc/13/85/65/1069138565.db2.gz IYRCERVEVVIFEC-SFHVURJKSA-N 1 1 494.644 3.214 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CC[N@H+]1CCC[C@@H]1C ZINC001305726627 1069143952 /nfs/dbraw/zinc/14/39/52/1069143952.db2.gz QQYWRJRCGKIBSS-KRWDZBQOSA-N 1 1 456.591 3.046 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1c(C)cccc1C ZINC001305736102 1069157840 /nfs/dbraw/zinc/15/78/40/1069157840.db2.gz NHKBUJHKUQGJGI-ZJSXRUAMSA-N 1 1 482.673 3.213 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H](c1cccnc1)C(C)C ZINC001305736443 1069158226 /nfs/dbraw/zinc/15/82/26/1069158226.db2.gz PXCXMWNCYHRJPZ-OYDLWJJNSA-N 1 1 497.688 3.188 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccccc1-n1cccn1 ZINC001305737202 1069160406 /nfs/dbraw/zinc/16/04/06/1069160406.db2.gz GLOSIGKPNZSMEI-UXHICEINSA-N 1 1 478.645 3.349 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305737342 1069160422 /nfs/dbraw/zinc/16/04/22/1069160422.db2.gz IGZAVXUFNXJQJS-CTUHWIOQSA-N 1 1 482.673 3.436 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@H](C)c1nccs1 ZINC001305738332 1069163750 /nfs/dbraw/zinc/16/37/50/1069163750.db2.gz CPFRVDVNGDCLTD-CMKODMSKSA-N 1 1 489.690 3.004 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@@H](C)c1nccs1 ZINC001305738333 1069163757 /nfs/dbraw/zinc/16/37/57/1069163757.db2.gz CPFRVDVNGDCLTD-HBFSDRIKSA-N 1 1 489.690 3.004 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC(C)(C)c1ccccn1 ZINC001305739100 1069166285 /nfs/dbraw/zinc/16/62/85/1069166285.db2.gz JEMMSYUBTMLYNI-ICSRJNTNSA-N 1 1 453.635 3.242 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccc(N(CC)CC)nc1 ZINC001305739157 1069167084 /nfs/dbraw/zinc/16/70/84/1069167084.db2.gz JPONSEIYMNNFSD-KNQAVFIVSA-N 1 1 482.677 3.159 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305740366 1069170550 /nfs/dbraw/zinc/17/05/50/1069170550.db2.gz HQCOVBZPSQVVTD-LJQANCHMSA-N 1 1 486.661 3.347 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@@](C)(O)C1CCCCC1 ZINC001305740644 1069170921 /nfs/dbraw/zinc/17/09/21/1069170921.db2.gz QKHIAMPWVGMJIP-OSWQYVSFSA-N 1 1 462.683 3.447 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H](OC)c1ccccc1 ZINC001305740532 1069171009 /nfs/dbraw/zinc/17/10/09/1069171009.db2.gz OZQJJRJSOQIOBP-NYVOZVTQSA-N 1 1 454.619 3.257 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305741048 1069172312 /nfs/dbraw/zinc/17/23/12/1069172312.db2.gz KJVJUHGWNUXGSG-LFGUQSLTSA-N 1 1 460.667 3.177 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743732 1069180533 /nfs/dbraw/zinc/18/05/33/1069180533.db2.gz YEHUYIOBFLYMDM-MOPGFXCFSA-N 1 1 498.676 3.257 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CCn1cc[nH+]c1C ZINC001305744212 1069182608 /nfs/dbraw/zinc/18/26/08/1069182608.db2.gz QIWMKOYMLJRHLY-KRWDZBQOSA-N 1 1 451.575 3.189 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1F ZINC001305744643 1069183316 /nfs/dbraw/zinc/18/33/16/1069183316.db2.gz XBYVEEBUQJAKFV-VGOFRKELSA-N 1 1 490.599 3.070 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCC(C)(C)C1CC1 ZINC001305748001 1069192150 /nfs/dbraw/zinc/19/21/50/1069192150.db2.gz LCOAMBRZRMPAKE-RUZDIDTESA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCC(C)(C)C1CC1 ZINC001305748002 1069192216 /nfs/dbraw/zinc/19/22/16/1069192216.db2.gz LCOAMBRZRMPAKE-VWLOTQADSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001305750626 1069196668 /nfs/dbraw/zinc/19/66/68/1069196668.db2.gz YKSRFJFQPUMTNH-YLJYHZDGSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001305750626 1069196674 /nfs/dbraw/zinc/19/66/74/1069196674.db2.gz YKSRFJFQPUMTNH-YLJYHZDGSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305753002 1069201487 /nfs/dbraw/zinc/20/14/87/1069201487.db2.gz VTIQAXIWZHHPDC-HBMCJLEFSA-N 1 1 484.693 3.292 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305753213 1069202175 /nfs/dbraw/zinc/20/21/75/1069202175.db2.gz UIVVVYQQTBMQBQ-HKBOAZHASA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@H]1CCCOC1 ZINC001305754981 1069206301 /nfs/dbraw/zinc/20/63/01/1069206301.db2.gz IMRQQKSXWONDBA-GGAORHGYSA-N 1 1 468.646 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305757768 1069215416 /nfs/dbraw/zinc/21/54/16/1069215416.db2.gz DPXXYADYSRSMNA-NRFANRHFSA-N 1 1 483.661 3.371 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001305757931 1069215829 /nfs/dbraw/zinc/21/58/29/1069215829.db2.gz FUPWTDWKLICDED-JOCHJYFZSA-N 1 1 499.660 3.122 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CCCn1cc[nH+]c1C ZINC001305758714 1069218960 /nfs/dbraw/zinc/21/89/60/1069218960.db2.gz MDASDNCYSISSDF-VWLOTQADSA-N 1 1 483.592 3.029 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCCn1cc[nH+]c1C ZINC001305758713 1069219028 /nfs/dbraw/zinc/21/90/28/1069219028.db2.gz MDASDNCYSISSDF-RUZDIDTESA-N 1 1 483.592 3.029 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3[C@H]2C)n1CC[NH+]1CCSCC1 ZINC001305761896 1069228751 /nfs/dbraw/zinc/22/87/51/1069228751.db2.gz CNYWTKVUGWWTMH-GOSISDBHSA-N 1 1 456.660 3.369 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305762420 1069230462 /nfs/dbraw/zinc/23/04/62/1069230462.db2.gz YIPBQPXLGGFYMQ-RRQZXNHTSA-N 1 1 492.734 3.418 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1CC[NH+]1CCSCC1 ZINC001305762850 1069231696 /nfs/dbraw/zinc/23/16/96/1069231696.db2.gz VRWBMHNKLNUOMG-UHFFFAOYSA-N 1 1 478.613 3.086 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305765671 1069236942 /nfs/dbraw/zinc/23/69/42/1069236942.db2.gz WPUSLVIKGCGAJQ-JTHBVZDNSA-N 1 1 496.656 3.251 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@]1(O)CCSC1 ZINC001305766905 1069238224 /nfs/dbraw/zinc/23/82/24/1069238224.db2.gz AXWKZWBOHUCTOY-UMEGOILYSA-N 1 1 492.734 3.155 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(C)o2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305768577 1069242370 /nfs/dbraw/zinc/24/23/70/1069242370.db2.gz CYLOEVNYXQPIOK-NRFANRHFSA-N 1 1 485.677 3.465 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305775055 1069257166 /nfs/dbraw/zinc/25/71/66/1069257166.db2.gz IVACRQFVURIYMF-DEOSSOPVSA-N 1 1 495.716 3.434 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCCc1cnn(C)c1 ZINC001305776580 1069260340 /nfs/dbraw/zinc/26/03/40/1069260340.db2.gz OIHOFDGORJCFOO-UHFFFAOYSA-N 1 1 470.666 3.018 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@@](C)(O)c1ccccc1 ZINC001305777248 1069262841 /nfs/dbraw/zinc/26/28/41/1069262841.db2.gz XGHGUZBONBUQHD-AREMUKBSSA-N 1 1 470.662 3.415 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1Cc2ccccc2O1 ZINC001305777388 1069263294 /nfs/dbraw/zinc/26/32/94/1069263294.db2.gz YJQPPNDMJIGWIT-OAQYLSRUSA-N 1 1 454.619 3.121 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1CCCn1cc[nH+]c1C ZINC001305778667 1069266567 /nfs/dbraw/zinc/26/65/67/1069266567.db2.gz GZMHYIVXYGPULE-UHFFFAOYSA-N 1 1 498.676 3.163 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305783173 1069276378 /nfs/dbraw/zinc/27/63/78/1069276378.db2.gz IOXUSHADWYLJNP-SFHVURJKSA-N 1 1 471.625 3.145 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001305784535 1069280835 /nfs/dbraw/zinc/28/08/35/1069280835.db2.gz WQZFPNHPJNQLJM-OAQYLSRUSA-N 1 1 467.662 3.316 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001305785794 1069287716 /nfs/dbraw/zinc/28/77/16/1069287716.db2.gz LPLLDZMPULZNQO-HXOBKFHXSA-N 1 1 496.578 3.177 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCc1ccc(-n2cccn2)cc1 ZINC001305785834 1069288336 /nfs/dbraw/zinc/28/83/36/1069288336.db2.gz MRRNJDNFQUIBLX-FQEVSTJZSA-N 1 1 478.645 3.155 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCc1ccc(C)c(OC)c1 ZINC001305785923 1069288558 /nfs/dbraw/zinc/28/85/58/1069288558.db2.gz OPGWGRLDDVVRMM-IBGZPJMESA-N 1 1 456.635 3.287 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC)[C@@H](C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305786145 1069289506 /nfs/dbraw/zinc/28/95/06/1069289506.db2.gz RCSBTMNBYTZLMU-UGKGYDQZSA-N 1 1 455.651 3.030 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ccccc1F ZINC001305786929 1069292445 /nfs/dbraw/zinc/29/24/45/1069292445.db2.gz IQDIEMYSQUSNOO-OYRHEFFESA-N 1 1 499.679 3.379 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)n1Cc1cc(C)no1 ZINC001305787566 1069294361 /nfs/dbraw/zinc/29/43/61/1069294361.db2.gz KYBHCXVBTFQXGB-UHFFFAOYSA-N 1 1 495.628 3.180 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305787455 1069294513 /nfs/dbraw/zinc/29/45/13/1069294513.db2.gz AFXCTEKMLMCAJT-PKTZIBPZSA-N 1 1 485.652 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305787455 1069294519 /nfs/dbraw/zinc/29/45/19/1069294519.db2.gz AFXCTEKMLMCAJT-PKTZIBPZSA-N 1 1 485.652 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCc1ccc(C)c(OC)c1 ZINC001305788935 1069298290 /nfs/dbraw/zinc/29/82/90/1069298290.db2.gz NKJFBQOUHGHOFK-JOCHJYFZSA-N 1 1 468.646 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCC3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305791760 1069304601 /nfs/dbraw/zinc/30/46/01/1069304601.db2.gz MAWJFCCWMSQVQI-HXUWFJFHSA-N 1 1 460.667 3.468 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305792709 1069306765 /nfs/dbraw/zinc/30/67/65/1069306765.db2.gz VDRYUFOSUGMPFO-FQEVSTJZSA-N 1 1 496.578 3.464 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618940 719084372 /nfs/dbraw/zinc/08/43/72/719084372.db2.gz BQOJVNCBIXWYRL-MSOLQXFVSA-N 1 1 454.962 3.144 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164635768 719266548 /nfs/dbraw/zinc/26/65/48/719266548.db2.gz IFJQRTXESURZRB-SYVJQLTCSA-N 1 1 466.630 3.451 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4sc(C)c(-c5ccccc5)c43)CC2)C1=O ZINC001164644702 719280532 /nfs/dbraw/zinc/28/05/32/719280532.db2.gz QWTBGPUDZHOCHH-UHFFFAOYSA-N 1 1 465.623 3.426 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4sc(C)c(-c5ccccc5)c43)CC2)C1=O ZINC001164644702 719280538 /nfs/dbraw/zinc/28/05/38/719280538.db2.gz QWTBGPUDZHOCHH-UHFFFAOYSA-N 1 1 465.623 3.426 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)C2)cc1 ZINC001164649442 719293035 /nfs/dbraw/zinc/29/30/35/719293035.db2.gz WRXLAFSTOCYNKB-GSDHBNRESA-N 1 1 457.578 3.383 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)C2)cc1 ZINC001164649442 719293041 /nfs/dbraw/zinc/29/30/41/719293041.db2.gz WRXLAFSTOCYNKB-GSDHBNRESA-N 1 1 457.578 3.383 20 0 JGADMO COc1cc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)cc(Cl)n1 ZINC001164663947 719356763 /nfs/dbraw/zinc/35/67/63/719356763.db2.gz JRIRVHVRHCYXLL-OAQYLSRUSA-N 1 1 482.963 3.268 20 0 JGADMO C[N@H+]1CCO[C@@H]2CN(c3nc4nc[nH]c4c(N(Cc4ccccc4)Cc4ccccc4)n3)C[C@@H]21 ZINC001164673123 719406770 /nfs/dbraw/zinc/40/67/70/719406770.db2.gz SMAUJDRTJWZNIR-FCHUYYIVSA-N 1 1 455.566 3.079 20 0 JGADMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc43)C[C@@H]21 ZINC001164674327 719427161 /nfs/dbraw/zinc/42/71/61/719427161.db2.gz WHCDYXKMNUYMSD-FXAWDEMLSA-N 1 1 470.570 3.052 20 0 JGADMO CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164670360 719444003 /nfs/dbraw/zinc/44/40/03/719444003.db2.gz NWSJXBCGZUJLCZ-PKOBYXMFSA-N 1 1 482.606 3.295 20 0 JGADMO O=C([C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC12CCOCC2)N1CC=CC1 ZINC001164678583 719557130 /nfs/dbraw/zinc/55/71/30/719557130.db2.gz ZZNTUKGFOGTHAD-DEOSSOPVSA-N 1 1 458.606 3.271 20 0 JGADMO c1ccc(C[N@H+]2CCc3nc(N4CCc5nnc(COc6ccccn6)n5CC4)ccc3C2)cc1 ZINC001164687783 719685356 /nfs/dbraw/zinc/68/53/56/719685356.db2.gz VFZBOGOZOGIYFV-UHFFFAOYSA-N 1 1 467.577 3.268 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)Oc1cccc(COc3cncc(Cl)n3)c1)CC2 ZINC001164689562 719753646 /nfs/dbraw/zinc/75/36/46/719753646.db2.gz HXTYWBZVLPVAKK-UHFFFAOYSA-N 1 1 495.958 3.315 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)nc1 ZINC001164691432 719800492 /nfs/dbraw/zinc/80/04/92/719800492.db2.gz GRTYETDHDMBRFV-UXHICEINSA-N 1 1 491.665 3.440 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)nc1 ZINC001164702590 719820048 /nfs/dbraw/zinc/82/00/48/719820048.db2.gz SDKKNEWXRMPVDK-ZBCONREDSA-N 1 1 463.626 3.366 20 0 JGADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cc2ccccc2)c2ccccc21 ZINC001164699847 719866847 /nfs/dbraw/zinc/86/68/47/719866847.db2.gz CEJLMNHVLGJKDZ-IDISGSTGSA-N 1 1 460.578 3.453 20 0 JGADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1c(C)c(C)n2Cc1ccccc1 ZINC001164702922 719868254 /nfs/dbraw/zinc/86/82/54/719868254.db2.gz JHANIXOCEALGTP-CUNXSJBXSA-N 1 1 477.609 3.329 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164701753 719868631 /nfs/dbraw/zinc/86/86/31/719868631.db2.gz HHMQRKXPBFXHEB-UQBPGWFLSA-N 1 1 489.686 3.383 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164701750 719868757 /nfs/dbraw/zinc/86/87/57/719868757.db2.gz HHMQRKXPBFXHEB-KBMIEXCESA-N 1 1 489.686 3.383 20 0 JGADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(F)F)nc2ccc(Cl)cc21 ZINC001164699247 719876365 /nfs/dbraw/zinc/87/63/65/719876365.db2.gz BEBKKLRCYQZYQA-LHSJRXKWSA-N 1 1 454.905 3.454 20 0 JGADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OCc3ccccc3)ccc21 ZINC001164707435 719877029 /nfs/dbraw/zinc/87/70/29/719877029.db2.gz SPBGQRWJKUGXMG-IDISGSTGSA-N 1 1 476.577 3.442 20 0 JGADMO COc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(N2CCCCCC2)n1 ZINC001164696239 719897681 /nfs/dbraw/zinc/89/76/81/719897681.db2.gz DQIBRJSDXZVEHL-UHFFFAOYSA-N 1 1 458.632 3.194 20 0 JGADMO COc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(N2CCCCCC2)n1 ZINC001164696239 719897683 /nfs/dbraw/zinc/89/76/83/719897683.db2.gz DQIBRJSDXZVEHL-UHFFFAOYSA-N 1 1 458.632 3.194 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164697703 719897722 /nfs/dbraw/zinc/89/77/22/719897722.db2.gz NURQJLHTBKVLPW-UHFFFAOYSA-N 1 1 464.657 3.045 20 0 JGADMO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cn1 ZINC001164709307 720073696 /nfs/dbraw/zinc/07/36/96/720073696.db2.gz DEOAFQIRGKGGIY-RTBURBONSA-N 1 1 477.638 3.284 20 0 JGADMO Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cn1 ZINC001164709299 720073715 /nfs/dbraw/zinc/07/37/15/720073715.db2.gz DEOAFQIRGKGGIY-MOPGFXCFSA-N 1 1 477.638 3.284 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC(=O)N4c3cnn(C)c3)c2c1C ZINC001164710510 720074523 /nfs/dbraw/zinc/07/45/23/720074523.db2.gz IZJQNLXJMIRUJM-RTBURBONSA-N 1 1 465.627 3.412 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CC(=O)N4c3cnn(C)c3)c2c1C ZINC001164710507 720074618 /nfs/dbraw/zinc/07/46/18/720074618.db2.gz IZJQNLXJMIRUJM-MOPGFXCFSA-N 1 1 465.627 3.412 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1cc(C)n3S(=O)(=O)c1ccccc1)C2 ZINC001164815810 720088776 /nfs/dbraw/zinc/08/87/76/720088776.db2.gz ZUWLBTFBTYEMDT-LVXARBLLSA-N 1 1 495.649 3.161 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3ccc(C(=O)OC)cc3n1)CC2 ZINC001164711211 720100323 /nfs/dbraw/zinc/10/03/23/720100323.db2.gz PMTDEVLJDDXKPC-JOCHJYFZSA-N 1 1 461.566 3.319 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164709590 720106445 /nfs/dbraw/zinc/10/64/45/720106445.db2.gz BDGCQUCYQOLPOQ-SFHVURJKSA-N 1 1 459.978 3.209 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164816441 720114902 /nfs/dbraw/zinc/11/49/02/720114902.db2.gz YTWCCGTXNCRHGD-VFNWGFHPSA-N 1 1 455.024 3.213 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)nc2N1C1CCCC1 ZINC001164815922 720115505 /nfs/dbraw/zinc/11/55/05/720115505.db2.gz XLUSKBQDMNHWOL-NTOOTBGVSA-N 1 1 482.673 3.165 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164710419 720135035 /nfs/dbraw/zinc/13/50/35/720135035.db2.gz BEKIESAJGILJCO-HXUWFJFHSA-N 1 1 478.597 3.048 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(C)sc3c(N3CCOCC3)n1)C2 ZINC001164814279 720135991 /nfs/dbraw/zinc/13/59/91/720135991.db2.gz RRQOVMOMTJYAKV-YADARESESA-N 1 1 457.644 3.021 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CC2 ZINC001164712236 720141712 /nfs/dbraw/zinc/14/17/12/720141712.db2.gz LNJRZUNPBJTHIU-HSZRJFAPSA-N 1 1 499.681 3.159 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164714148 720142603 /nfs/dbraw/zinc/14/26/03/720142603.db2.gz WKZDLCRUIAYQRT-INIZCTEOSA-N 1 1 477.947 3.405 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 ZINC001164714856 720144288 /nfs/dbraw/zinc/14/42/88/720144288.db2.gz ZWLQNWSIHVXQNX-FQEVSTJZSA-N 1 1 458.006 3.339 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164713999 720144944 /nfs/dbraw/zinc/14/49/44/720144944.db2.gz UWYWDXQFFXHVPQ-SFHVURJKSA-N 1 1 467.948 3.500 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815023 720147975 /nfs/dbraw/zinc/14/79/75/720147975.db2.gz GVTFJWVBAGFRNI-CJAUYULYSA-N 1 1 458.603 3.038 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164714044 720148799 /nfs/dbraw/zinc/14/87/99/720148799.db2.gz VNXIFSYWUGQANE-QFIPXVFZSA-N 1 1 464.614 3.052 20 0 JGADMO CCOC(=O)c1cnc(CC)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164713962 720152021 /nfs/dbraw/zinc/15/20/21/720152021.db2.gz UMHPDMBGJFZBGC-FQEVSTJZSA-N 1 1 453.587 3.118 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001164818039 720158857 /nfs/dbraw/zinc/15/88/57/720158857.db2.gz RIXBDKYHXNYXLP-BXKMTCNYSA-N 1 1 456.591 3.490 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCOCC3)nc3sc(C)c(C)c31)C2 ZINC001164816297 720169648 /nfs/dbraw/zinc/16/96/48/720169648.db2.gz KUOKSLBEJPXCIH-RLWLMLJZSA-N 1 1 485.698 3.325 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)C2 ZINC001164813746 720181781 /nfs/dbraw/zinc/18/17/81/720181781.db2.gz DWOWUVPJFXWXPE-KOSHJBKYSA-N 1 1 492.592 3.345 20 0 JGADMO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)C2 ZINC001164820142 720183366 /nfs/dbraw/zinc/18/33/66/720183366.db2.gz ZRZYZFQBOAFWOL-CYFREDJKSA-N 1 1 474.602 3.206 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)C2 ZINC001164820142 720183368 /nfs/dbraw/zinc/18/33/68/720183368.db2.gz ZRZYZFQBOAFWOL-CYFREDJKSA-N 1 1 474.602 3.206 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(OC)c(OC)c3OC)nn1)C2 ZINC001164819174 720188313 /nfs/dbraw/zinc/18/83/13/720188313.db2.gz WJVVZSBXCYLCIL-AFMDSPMNSA-N 1 1 468.598 3.354 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(OC)c(OC)c3OC)nn1)C2 ZINC001164819181 720189432 /nfs/dbraw/zinc/18/94/32/720189432.db2.gz WJVVZSBXCYLCIL-SIBVEZHUSA-N 1 1 468.598 3.354 20 0 JGADMO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cnc1Cl ZINC001164812803 720205123 /nfs/dbraw/zinc/20/51/23/720205123.db2.gz MHPXDTUWPUPJGK-PXNSSMCTSA-N 1 1 478.005 3.258 20 0 JGADMO COc1cccc(Oc2cncc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)n2)c1 ZINC001164814475 720230512 /nfs/dbraw/zinc/23/05/12/720230512.db2.gz UMSXVKYAOOAKIK-UHFFFAOYSA-N 1 1 450.543 3.085 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1 ZINC001164814549 720234537 /nfs/dbraw/zinc/23/45/37/720234537.db2.gz XWHDBDQPIAFNAT-UHFFFAOYSA-N 1 1 484.988 3.267 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C2)C1 ZINC001164718188 720244062 /nfs/dbraw/zinc/24/40/62/720244062.db2.gz CQSMWZVMXAXHIJ-NDEPHWFRSA-N 1 1 471.605 3.475 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C2)C1 ZINC001164718188 720244065 /nfs/dbraw/zinc/24/40/65/720244065.db2.gz CQSMWZVMXAXHIJ-NDEPHWFRSA-N 1 1 471.605 3.475 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccc(C)cc4)c4ccccc43)C2)C1 ZINC001164723913 720284014 /nfs/dbraw/zinc/28/40/14/720284014.db2.gz YSOJWXJYIPHICX-HHHXNRCGSA-N 1 1 459.594 3.270 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccc(C)cc4)c4ccccc43)C2)C1 ZINC001164723913 720284022 /nfs/dbraw/zinc/28/40/22/720284022.db2.gz YSOJWXJYIPHICX-HHHXNRCGSA-N 1 1 459.594 3.270 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4Cl)nc(C)c3C)C2)C1 ZINC001164723789 720297753 /nfs/dbraw/zinc/29/77/53/720297753.db2.gz YBHHZMWNAIWDPZ-DEOSSOPVSA-N 1 1 458.006 3.079 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4Cl)nc(C)c3C)C2)C1 ZINC001164723789 720297758 /nfs/dbraw/zinc/29/77/58/720297758.db2.gz YBHHZMWNAIWDPZ-DEOSSOPVSA-N 1 1 458.006 3.079 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164732431 720422838 /nfs/dbraw/zinc/42/28/38/720422838.db2.gz NIIALYDNFZXJRG-BQJUDKOJSA-N 1 1 497.594 3.474 20 0 JGADMO Fc1ccccc1N1CCN(c2cc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ncn2)CC1 ZINC001164732830 720449969 /nfs/dbraw/zinc/44/99/69/720449969.db2.gz OMCQHHCSCAPRSP-ZEQRLZLVSA-N 1 1 459.573 3.191 20 0 JGADMO Fc1ccccc1N1CCN(c2cc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ncn2)CC1 ZINC001164732828 720451119 /nfs/dbraw/zinc/45/11/19/720451119.db2.gz OMCQHHCSCAPRSP-DNQXCXABSA-N 1 1 459.573 3.191 20 0 JGADMO O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164726367 720500224 /nfs/dbraw/zinc/50/02/24/720500224.db2.gz LLTNRAGSJNMSQE-SQHAQQRYSA-N 1 1 470.577 3.054 20 0 JGADMO O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164726367 720500228 /nfs/dbraw/zinc/50/02/28/720500228.db2.gz LLTNRAGSJNMSQE-SQHAQQRYSA-N 1 1 470.577 3.054 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836511 720510191 /nfs/dbraw/zinc/51/01/91/720510191.db2.gz MULZJYFVQGFLBQ-JFIYKMOQSA-N 1 1 482.963 3.426 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164839388 720510880 /nfs/dbraw/zinc/51/08/80/720510880.db2.gz TVMQKIQRUDHAMF-SOLBZPMBSA-N 1 1 482.963 3.426 20 0 JGADMO Cc1cc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(N3CCOCC3)c2s1 ZINC001164839684 720563190 /nfs/dbraw/zinc/56/31/90/720563190.db2.gz RJVNEWKKMBAGKO-TUNNFDKTSA-N 1 1 481.670 3.411 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838746 720585570 /nfs/dbraw/zinc/58/55/70/720585570.db2.gz LKZXVJIWBRBOOW-ZRCGQRJVSA-N 1 1 496.637 3.247 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@@H]21 ZINC001164844149 720608150 /nfs/dbraw/zinc/60/81/50/720608150.db2.gz ZCICWALFWVJHLE-KKUMJFAQSA-N 1 1 450.925 3.077 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164838255 720611718 /nfs/dbraw/zinc/61/17/18/720611718.db2.gz KJRAKAZYWIURQE-JAXLGGSGSA-N 1 1 474.675 3.123 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164841599 720611779 /nfs/dbraw/zinc/61/17/79/720611779.db2.gz TYJHAUOMNQTPTA-KJXAQDMKSA-N 1 1 474.675 3.123 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737315 720697226 /nfs/dbraw/zinc/69/72/26/720697226.db2.gz FQIPRBUGMZSPDM-QZTJIDSGSA-N 1 1 468.920 3.258 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737314 720698180 /nfs/dbraw/zinc/69/81/80/720698180.db2.gz FQIPRBUGMZSPDM-MSOLQXFVSA-N 1 1 468.920 3.258 20 0 JGADMO COC(=O)C1CCN(c2nccnc2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001164845232 720700599 /nfs/dbraw/zinc/70/05/99/720700599.db2.gz XAFQOGPECWGLPV-QHCPKHFHSA-N 1 1 479.625 3.126 20 0 JGADMO COC(=O)C1CCN(c2ccnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)CC1 ZINC001164840362 720702603 /nfs/dbraw/zinc/70/26/03/720702603.db2.gz PZGJBGZSUGMQIB-HSZRJFAPSA-N 1 1 479.625 3.126 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2C1 ZINC001164842279 720712704 /nfs/dbraw/zinc/71/27/04/720712704.db2.gz XLAOQDCKHXTWAO-QFIPXVFZSA-N 1 1 465.598 3.251 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)CC2 ZINC001164836921 720715275 /nfs/dbraw/zinc/71/52/75/720715275.db2.gz BWYISMMBDZGWNQ-JOCHJYFZSA-N 1 1 485.028 3.467 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)CC2 ZINC001164836922 720715603 /nfs/dbraw/zinc/71/56/03/720715603.db2.gz BWYISMMBDZGWNQ-QFIPXVFZSA-N 1 1 485.028 3.467 20 0 JGADMO COc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164744792 720757975 /nfs/dbraw/zinc/75/79/75/720757975.db2.gz SSRFTOWOAFIGDU-HKUYNNGSSA-N 1 1 460.563 3.499 20 0 JGADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164737861 720762591 /nfs/dbraw/zinc/76/25/91/720762591.db2.gz DCRYEZOVVLGDNB-RTBURBONSA-N 1 1 465.627 3.036 20 0 JGADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740952 720763864 /nfs/dbraw/zinc/76/38/64/720763864.db2.gz LNOZFBQQOOKLCV-RBUKOAKNSA-N 1 1 467.643 3.282 20 0 JGADMO COc1cccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164740463 720782885 /nfs/dbraw/zinc/78/28/85/720782885.db2.gz LFZPXYJUZHMDCD-TZIWHRDSSA-N 1 1 454.534 3.437 20 0 JGADMO c1cnc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C3)n2)CCCC4)cn1 ZINC001164750336 720789553 /nfs/dbraw/zinc/78/95/53/720789553.db2.gz VDVROHJLHXZNIY-IRXDYDNUSA-N 1 1 486.605 3.159 20 0 JGADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164751955 720801494 /nfs/dbraw/zinc/80/14/94/720801494.db2.gz YHUMNXWYHVSPEH-IFMALSPDSA-N 1 1 454.534 3.341 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@@H]43)c2c1C ZINC001164846975 720803262 /nfs/dbraw/zinc/80/32/62/720803262.db2.gz LMFSIEKTZSRXGL-UFYCRDLUSA-N 1 1 469.655 3.414 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@H]43)c2c1C ZINC001164844588 720803326 /nfs/dbraw/zinc/80/33/26/720803326.db2.gz BRZPCFVUKYFHQC-GBESFXJTSA-N 1 1 455.628 3.024 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@H]43)c2c1C ZINC001164846974 720803331 /nfs/dbraw/zinc/80/33/31/720803331.db2.gz LMFSIEKTZSRXGL-SLFFLAALSA-N 1 1 469.655 3.414 20 0 JGADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164749275 720803474 /nfs/dbraw/zinc/80/34/74/720803474.db2.gz STXFDCWKEVHVSH-QAPCUYQASA-N 1 1 454.918 3.063 20 0 JGADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751949 720803991 /nfs/dbraw/zinc/80/39/91/720803991.db2.gz YHSCPGYXRDICBX-QAPCUYQASA-N 1 1 454.918 3.063 20 0 JGADMO COc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164752014 720805796 /nfs/dbraw/zinc/80/57/96/720805796.db2.gz YKNGISXGMRSEEH-HZPDHXFCSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164752014 720805797 /nfs/dbraw/zinc/80/57/97/720805797.db2.gz YKNGISXGMRSEEH-HZPDHXFCSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164746109 720809231 /nfs/dbraw/zinc/80/92/31/720809231.db2.gz LUQWBGYJMFQGIP-CBGDNZLLSA-N 1 1 453.978 3.263 20 0 JGADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744819 720812239 /nfs/dbraw/zinc/81/22/39/720812239.db2.gz IRRYKKUAFKJGRS-QLFBSQMISA-N 1 1 458.344 3.299 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745970 720816956 /nfs/dbraw/zinc/81/69/56/720816956.db2.gz XPOQXOWYJJGBAG-GBESFXJTSA-N 1 1 493.006 3.246 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738811 720823852 /nfs/dbraw/zinc/82/38/52/720823852.db2.gz GUTTWMJUHCKTQA-QKNQBKEWSA-N 1 1 493.637 3.353 20 0 JGADMO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746131 720827675 /nfs/dbraw/zinc/82/76/75/720827675.db2.gz XZHKNXDBWOHIET-IYWMVGAKSA-N 1 1 498.035 3.150 20 0 JGADMO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164741715 720831950 /nfs/dbraw/zinc/83/19/50/720831950.db2.gz OCEHFKKRAVHFLD-ZHALLVOQSA-N 1 1 453.978 3.263 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750296 720833250 /nfs/dbraw/zinc/83/32/50/720833250.db2.gz XAWVAVUNKZDPSS-WSTZPKSXSA-N 1 1 458.994 3.191 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739941 720833331 /nfs/dbraw/zinc/83/33/31/720833331.db2.gz BBRWYTOVJHZRHX-NJDAHSKKSA-N 1 1 472.037 3.188 20 0 JGADMO Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739994 720833461 /nfs/dbraw/zinc/83/34/61/720833461.db2.gz BKUVDGBRTSXGJC-BHDDXSALSA-N 1 1 456.038 3.302 20 0 JGADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739358 720835863 /nfs/dbraw/zinc/83/58/63/720835863.db2.gz AAVLAZKFHPNILR-LZLYRXPVSA-N 1 1 474.947 3.194 20 0 JGADMO Cc1nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)c1C ZINC001164750337 720835877 /nfs/dbraw/zinc/83/58/77/720835877.db2.gz XICBXGFQLOGXMQ-KZNAEPCWSA-N 1 1 451.953 3.263 20 0 JGADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164746578 720836148 /nfs/dbraw/zinc/83/61/48/720836148.db2.gz OTNRTKDGKFZMDG-ILZDJORESA-N 1 1 484.967 3.427 20 0 JGADMO FC(F)(COc1cccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751795 720836176 /nfs/dbraw/zinc/83/61/76/720836176.db2.gz YRDFGFIISSQLMA-KZNAEPCWSA-N 1 1 452.937 3.173 20 0 JGADMO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164747367 720839898 /nfs/dbraw/zinc/83/98/98/720839898.db2.gz QJAZIVFNGINXPF-SXWKCWPCSA-N 1 1 461.570 3.248 20 0 JGADMO CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164746678 720841770 /nfs/dbraw/zinc/84/17/70/720841770.db2.gz PXXZJIFWSNOGCT-QQKQFIJSSA-N 1 1 458.614 3.181 20 0 JGADMO CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)n1 ZINC001164747758 720843278 /nfs/dbraw/zinc/84/32/78/720843278.db2.gz ROPSCSDZVZKKIT-PWRODBHTSA-N 1 1 462.602 3.400 20 0 JGADMO Clc1nc2c(Cl)nccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745209 720845310 /nfs/dbraw/zinc/84/53/10/720845310.db2.gz MRNYXRMNQYNVBV-ZMSDIMECSA-N 1 1 459.385 3.303 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164742490 720846297 /nfs/dbraw/zinc/84/62/97/720846297.db2.gz HAFMPPVHGYYMGE-HSALFYBXSA-N 1 1 495.653 3.456 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743145 720846621 /nfs/dbraw/zinc/84/66/21/720846621.db2.gz IXPOJGJUQGBJJZ-TXPKVOOTSA-N 1 1 480.947 3.037 20 0 JGADMO FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743557 720848236 /nfs/dbraw/zinc/84/82/36/720848236.db2.gz JDWCOWVFUMMUKP-FRQCXROJSA-N 1 1 463.964 3.135 20 0 JGADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748683 720851530 /nfs/dbraw/zinc/85/15/30/720851530.db2.gz LPPOSNLJHQSHIA-WPFOTENUSA-N 1 1 487.608 3.276 20 0 JGADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752520 720855621 /nfs/dbraw/zinc/85/56/21/720855621.db2.gz STBVYJYDYXLUAT-TZRRMPRUSA-N 1 1 459.598 3.335 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164749463 720855860 /nfs/dbraw/zinc/85/58/60/720855860.db2.gz NGFMWHAUBXRJGK-JBRSBNLGSA-N 1 1 488.640 3.093 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753995 720856564 /nfs/dbraw/zinc/85/65/64/720856564.db2.gz ZQETXAPTTLLTNS-ZIFCJYIRSA-N 1 1 495.962 3.343 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753989 720856915 /nfs/dbraw/zinc/85/69/15/720856915.db2.gz ZQETXAPTTLLTNS-YQVWRLOYSA-N 1 1 495.962 3.343 20 0 JGADMO Clc1cc(-c2ccncc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753922 720857723 /nfs/dbraw/zinc/85/77/23/720857723.db2.gz ZDDMXNOUMGPVAW-SFHLNBCPSA-N 1 1 450.978 3.163 20 0 JGADMO CN(C)c1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748402 720869805 /nfs/dbraw/zinc/86/98/05/720869805.db2.gz DQFWKCBZXFBIKG-HYBUGGRVSA-N 1 1 457.022 3.346 20 0 JGADMO COC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755301 720871343 /nfs/dbraw/zinc/87/13/43/720871343.db2.gz VWNXOEBPVKCODP-YADARESESA-N 1 1 471.989 3.067 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164859117 720875881 /nfs/dbraw/zinc/87/58/81/720875881.db2.gz LQFGNLINYBLDIR-NHCUHLMSSA-N 1 1 473.687 3.468 20 0 JGADMO COC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1OC ZINC001164748528 720875965 /nfs/dbraw/zinc/87/59/65/720875965.db2.gz FRLILTVYJVVHIH-RLWLMLJZSA-N 1 1 466.582 3.027 20 0 JGADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)COC2 ZINC001164753886 720881323 /nfs/dbraw/zinc/88/13/23/720881323.db2.gz QGKWJHQZNGZJBJ-NTKDMRAZSA-N 1 1 455.990 3.310 20 0 JGADMO COC(=O)c1c[nH]c2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164751647 720882313 /nfs/dbraw/zinc/88/23/13/720882313.db2.gz DBGAXVLNIWRPTN-JIPXPUAJSA-N 1 1 475.593 3.500 20 0 JGADMO COC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1 ZINC001164753434 720884943 /nfs/dbraw/zinc/88/49/43/720884943.db2.gz GVOHRPYOQNMJGI-BWKNWUBXSA-N 1 1 454.546 3.157 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)Oc3cccc(COc4cncc(Cl)n4)c3)CC[C@H]2C1 ZINC001164853304 720888209 /nfs/dbraw/zinc/88/82/09/720888209.db2.gz BRZKPOYDKTUPOZ-AZUAARDMSA-N 1 1 498.958 3.307 20 0 JGADMO COCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(SC)n1 ZINC001164758866 720888480 /nfs/dbraw/zinc/88/84/80/720888480.db2.gz ZYIFXRHTXZHSAI-OFVILXPXSA-N 1 1 469.655 3.495 20 0 JGADMO Cn1c(=O)ccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164754427 720890985 /nfs/dbraw/zinc/89/09/85/720890985.db2.gz IUZXVWCTLPGKRR-KCWPFWIISA-N 1 1 459.594 3.084 20 0 JGADMO COC(=O)c1nc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756236 720892065 /nfs/dbraw/zinc/89/20/65/720892065.db2.gz OOKPIQAXYGJDAM-DVECYGJZSA-N 1 1 471.989 3.067 20 0 JGADMO COCCn1ccc2c1ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757906 720893030 /nfs/dbraw/zinc/89/30/30/720893030.db2.gz WHRZWWAURURJCK-YIXXDRMTSA-N 1 1 476.625 3.228 20 0 JGADMO CCOC(=O)c1ncnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164756839 720894037 /nfs/dbraw/zinc/89/40/37/720894037.db2.gz RLPIIDGOPGKOBO-ATIYNZHBSA-N 1 1 465.598 3.112 20 0 JGADMO COC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C ZINC001164753937 720895195 /nfs/dbraw/zinc/89/51/95/720895195.db2.gz HVSMXWPTVXKWKR-BKMJKUGQSA-N 1 1 450.583 3.327 20 0 JGADMO Clc1[n-][nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ncnc1-2 ZINC001164755113 720896554 /nfs/dbraw/zinc/89/65/54/720896554.db2.gz KVUZJRGCLSJSJO-JPYJTQIMSA-N 1 1 453.978 3.156 20 0 JGADMO COC(=O)c1cc(C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753410 720896688 /nfs/dbraw/zinc/89/66/88/720896688.db2.gz GTWWHMXZVZCPBT-NVQXNPDNSA-N 1 1 450.583 3.327 20 0 JGADMO Clc1ncnc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164753386 720898160 /nfs/dbraw/zinc/89/81/60/720898160.db2.gz GSRQVXSULMXRTQ-YADARESESA-N 1 1 465.989 3.223 20 0 JGADMO COC(=O)CSc1cccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758480 720901598 /nfs/dbraw/zinc/90/15/98/720901598.db2.gz YLQXQHABSSWLLR-BKMJKUGQSA-N 1 1 482.650 3.497 20 0 JGADMO COC(=O)c1cc2c[nH]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc-2n1 ZINC001164754551 720902595 /nfs/dbraw/zinc/90/25/95/720902595.db2.gz JIWOFJBJFCWZMA-CUNXSJBXSA-N 1 1 475.593 3.500 20 0 JGADMO CN1CCOc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164753286 720905459 /nfs/dbraw/zinc/90/54/59/720905459.db2.gz RKNQJMGPUKOCRR-CPJSRVTESA-N 1 1 485.032 3.109 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747383 720905931 /nfs/dbraw/zinc/90/59/31/720905931.db2.gz CYBRVBFOTMMOBP-NLFFAJNJSA-N 1 1 486.016 3.457 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1C ZINC001164754206 720906706 /nfs/dbraw/zinc/90/67/06/720906706.db2.gz UHLZNCYPNAGRPH-NLFFAJNJSA-N 1 1 482.032 3.475 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)n1 ZINC001164853975 720912098 /nfs/dbraw/zinc/91/20/98/720912098.db2.gz DGLLRUVFRMDISQ-WSTZPKSXSA-N 1 1 498.653 3.409 20 0 JGADMO CCOC(=O)c1cnc(CC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749851 720926902 /nfs/dbraw/zinc/92/69/02/720926902.db2.gz ILQFENHMJQIHQY-CUNXSJBXSA-N 1 1 479.625 3.366 20 0 JGADMO COCCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754609 720932162 /nfs/dbraw/zinc/93/21/62/720932162.db2.gz WERXGTMMEWJWPR-IGKIAQTJSA-N 1 1 480.609 3.035 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164856264 720988446 /nfs/dbraw/zinc/98/84/46/720988446.db2.gz AJKBVFJPPVPWOL-MRXNPFEDSA-N 1 1 456.591 3.471 20 0 JGADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164760860 721020847 /nfs/dbraw/zinc/02/08/47/721020847.db2.gz QASJUJMURVTUNS-YPAWHYETSA-N 1 1 470.017 3.274 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3c(-c4cnn(C)c4)nnn3C[C@H]2COC)n1 ZINC001164759704 721025291 /nfs/dbraw/zinc/02/52/91/721025291.db2.gz NFCKNGXSPSYBNJ-SFHVURJKSA-N 1 1 495.657 3.177 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1)N1CCCCC1 ZINC001164867772 721062918 /nfs/dbraw/zinc/06/29/18/721062918.db2.gz KILKPOOYEGGKSL-RTWAWAEBSA-N 1 1 455.990 3.236 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164865543 721092859 /nfs/dbraw/zinc/09/28/59/721092859.db2.gz MNZLCPMFBJFKGE-IAGOWNOFSA-N 1 1 455.946 3.175 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164768176 721111779 /nfs/dbraw/zinc/11/17/79/721111779.db2.gz NNWPYXCJOAWTRY-ZWKOTPCHSA-N 1 1 452.584 3.074 20 0 JGADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCc2ccccc21 ZINC001164872225 721139530 /nfs/dbraw/zinc/13/95/30/721139530.db2.gz GZLHBPBNPNXCJC-GOTSBHOMSA-N 1 1 455.562 3.159 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164874532 721145716 /nfs/dbraw/zinc/14/57/16/721145716.db2.gz KKERNRILRDQAAN-YADHBBJMSA-N 1 1 494.665 3.015 20 0 JGADMO O=C(c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164870967 721152380 /nfs/dbraw/zinc/15/23/80/721152380.db2.gz CTRLJVAJGAQINZ-RTWAWAEBSA-N 1 1 455.990 3.236 20 0 JGADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164879436 721172131 /nfs/dbraw/zinc/17/21/31/721172131.db2.gz SGBYAHRCAGYXGZ-PMACEKPBSA-N 1 1 477.565 3.044 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879525 721180197 /nfs/dbraw/zinc/18/01/97/721180197.db2.gz TWJBITIKCHOMRO-IAGOWNOFSA-N 1 1 467.904 3.247 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C[C@H]3C2)cn1 ZINC001164774406 721189220 /nfs/dbraw/zinc/18/92/20/721189220.db2.gz YZRUTWSOKAIPGQ-QZTJIDSGSA-N 1 1 459.932 3.429 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C[C@@H]3C2)cn1 ZINC001164763258 721190017 /nfs/dbraw/zinc/19/00/17/721190017.db2.gz DZCJJHSPWJVBEA-ROUUACIJSA-N 1 1 459.932 3.429 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)NC)C2)nc1 ZINC001164868102 721208946 /nfs/dbraw/zinc/20/89/46/721208946.db2.gz KMCSXPDRDAKHLG-XLGIIRLISA-N 1 1 463.630 3.030 20 0 JGADMO COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164872355 721225592 /nfs/dbraw/zinc/22/55/92/721225592.db2.gz NNMZYZDNYSPBCI-OAQYLSRUSA-N 1 1 481.641 3.041 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C[C@@H]3C2)cn1 ZINC001164767280 721249262 /nfs/dbraw/zinc/24/92/62/721249262.db2.gz WONKQJWGMBTNNI-SJORKVTESA-N 1 1 450.418 3.466 20 0 JGADMO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164761523 721252853 /nfs/dbraw/zinc/25/28/53/721252853.db2.gz JHYXOGPBNAOMKY-ICDZXHCJSA-N 1 1 472.589 3.248 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)cn1 ZINC001164764398 721264783 /nfs/dbraw/zinc/26/47/83/721264783.db2.gz GNAIANXWKXHITF-PMACEKPBSA-N 1 1 491.665 3.440 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccsc4)nc4ccccc43)CC2)C1 ZINC001164874410 721285958 /nfs/dbraw/zinc/28/59/58/721285958.db2.gz QRQJSPGGVVGPTJ-UHFFFAOYSA-N 1 1 465.623 3.365 20 0 JGADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164876577 721291193 /nfs/dbraw/zinc/29/11/93/721291193.db2.gz ISDZNAPBEFFUMG-UHFFFAOYSA-N 1 1 466.960 3.482 20 0 JGADMO Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc1 ZINC001164878707 721291366 /nfs/dbraw/zinc/29/13/66/721291366.db2.gz UEOHLSSMECPSAT-UHFFFAOYSA-N 1 1 474.005 3.238 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCC(=O)N3CC3CC3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164775299 721306810 /nfs/dbraw/zinc/30/68/10/721306810.db2.gz URIUSIQXDATWKI-OAQYLSRUSA-N 1 1 497.684 3.252 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4OCCN(c5ccc(C)nn5)[C@@H]4C3)c2c1C ZINC001164775818 721312549 /nfs/dbraw/zinc/31/25/49/721312549.db2.gz KAMUSGNUPMURBY-RTBURBONSA-N 1 1 465.627 3.096 20 0 JGADMO Cc1ccc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)nn1 ZINC001164776184 721312728 /nfs/dbraw/zinc/31/27/28/721312728.db2.gz MEQFMAFCVPXHEG-PMACEKPBSA-N 1 1 491.665 3.358 20 0 JGADMO Cc1nc(COC[C@@H]2Cn3nccc3CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)cs1 ZINC001164875518 721332286 /nfs/dbraw/zinc/33/22/86/721332286.db2.gz LUMIDPDCSORPOH-IBGZPJMESA-N 1 1 468.627 3.369 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)c2c1C ZINC001164884198 721344520 /nfs/dbraw/zinc/34/45/20/721344520.db2.gz NDTUTBMCSPVJIB-UQBPGWFLSA-N 1 1 469.655 3.416 20 0 JGADMO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164883842 721349430 /nfs/dbraw/zinc/34/94/30/721349430.db2.gz MLPLHXUDUHJVPC-ZEQKJWHPSA-N 1 1 469.589 3.012 20 0 JGADMO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164883842 721349434 /nfs/dbraw/zinc/34/94/34/721349434.db2.gz MLPLHXUDUHJVPC-ZEQKJWHPSA-N 1 1 469.589 3.012 20 0 JGADMO COC(=O)c1c(Cl)cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1OC ZINC001164785287 721362806 /nfs/dbraw/zinc/36/28/06/721362806.db2.gz TXMWNDSJYXADTA-HSZRJFAPSA-N 1 1 478.977 3.254 20 0 JGADMO COC(=O)c1c(Cl)cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1OC ZINC001164785287 721362807 /nfs/dbraw/zinc/36/28/07/721362807.db2.gz TXMWNDSJYXADTA-HSZRJFAPSA-N 1 1 478.977 3.254 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3ccc(Cl)nn3)C2)C1 ZINC001164782983 721366616 /nfs/dbraw/zinc/36/66/16/721366616.db2.gz OQPWAKIIPDELFP-FQEVSTJZSA-N 1 1 471.936 3.321 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)COc3ccc(Cl)nn3)C2)C1 ZINC001164782983 721366621 /nfs/dbraw/zinc/36/66/21/721366621.db2.gz OQPWAKIIPDELFP-FQEVSTJZSA-N 1 1 471.936 3.321 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(-c4cccc(F)c4)n3)C2)C1 ZINC001164784188 721368901 /nfs/dbraw/zinc/36/89/01/721368901.db2.gz QWJXGVFYFASMGR-DEOSSOPVSA-N 1 1 452.534 3.402 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(-c4cccc(F)c4)n3)C2)C1 ZINC001164784188 721368903 /nfs/dbraw/zinc/36/89/03/721368903.db2.gz QWJXGVFYFASMGR-DEOSSOPVSA-N 1 1 452.534 3.402 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCC[C@@H](C)C4)ncn3)C2)C1 ZINC001164787015 721371331 /nfs/dbraw/zinc/37/13/31/721371331.db2.gz XHQDWPKNQHUGJI-CLOONOSVSA-N 1 1 454.619 3.437 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCC[C@@H](C)C4)ncn3)C2)C1 ZINC001164787015 721371333 /nfs/dbraw/zinc/37/13/33/721371333.db2.gz XHQDWPKNQHUGJI-CLOONOSVSA-N 1 1 454.619 3.437 20 0 JGADMO COC(=O)c1nc(Cl)c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164786928 721376109 /nfs/dbraw/zinc/37/61/09/721376109.db2.gz VHKWORXACMKSCH-NRFANRHFSA-N 1 1 484.384 3.294 20 0 JGADMO COC(=O)c1nc(Cl)c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164786928 721376111 /nfs/dbraw/zinc/37/61/11/721376111.db2.gz VHKWORXACMKSCH-NRFANRHFSA-N 1 1 484.384 3.294 20 0 JGADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889347 721385917 /nfs/dbraw/zinc/38/59/17/721385917.db2.gz LSFAXKPFGXRDEC-KXBFYZLASA-N 1 1 462.010 3.162 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164894135 721393160 /nfs/dbraw/zinc/39/31/60/721393160.db2.gz XWBWJXDOBUBHBK-KCWPFWIISA-N 1 1 498.071 3.430 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C3)O2)CC1 ZINC001164891847 721398022 /nfs/dbraw/zinc/39/80/22/721398022.db2.gz QQDIUZQWDLALFF-RLWLMLJZSA-N 1 1 496.059 3.293 20 0 JGADMO Cc1cc2c(ncnc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164789208 721399192 /nfs/dbraw/zinc/39/91/92/721399192.db2.gz UIJAZHIGZKIOFB-HDICACEKSA-N 1 1 480.619 3.001 20 0 JGADMO Cc1cc2c(ncnc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164789208 721399194 /nfs/dbraw/zinc/39/91/94/721399194.db2.gz UIJAZHIGZKIOFB-HDICACEKSA-N 1 1 480.619 3.001 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164889416 721401884 /nfs/dbraw/zinc/40/18/84/721401884.db2.gz QGKNMUHLESPEGH-BXKMTCNYSA-N 1 1 476.021 3.066 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883973 721407474 /nfs/dbraw/zinc/40/74/74/721407474.db2.gz CTUQUBBNPNAXDZ-CJAUYULYSA-N 1 1 488.032 3.225 20 0 JGADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2ccccc21 ZINC001164887169 721409351 /nfs/dbraw/zinc/40/93/51/721409351.db2.gz LHASBZUCSYKWDN-RXFWQSSRSA-N 1 1 452.599 3.177 20 0 JGADMO CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2ccccc21 ZINC001164887161 721409776 /nfs/dbraw/zinc/40/97/76/721409776.db2.gz LHASBZUCSYKWDN-FNZWTVRRSA-N 1 1 452.599 3.177 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2cc1OC ZINC001164887679 721413730 /nfs/dbraw/zinc/41/37/30/721413730.db2.gz MEAFGVHVJPXWGU-MZNJEOGPSA-N 1 1 476.021 3.066 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C3)O2)CC1 ZINC001164885884 721417817 /nfs/dbraw/zinc/41/78/17/721417817.db2.gz HTKHQENSAMIPQA-MHECFPHRSA-N 1 1 464.054 3.029 20 0 JGADMO O=C(c1cccnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164780595 721417828 /nfs/dbraw/zinc/41/78/28/721417828.db2.gz BMEJXTCKDFFGLO-ZRZAMGCNSA-N 1 1 488.661 3.064 20 0 JGADMO O=C(c1cccnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164780595 721417830 /nfs/dbraw/zinc/41/78/30/721417830.db2.gz BMEJXTCKDFFGLO-ZRZAMGCNSA-N 1 1 488.661 3.064 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781774 721420411 /nfs/dbraw/zinc/42/04/11/721420411.db2.gz DZUXBWJSTZWKKZ-IYBDPMFKSA-N 1 1 459.616 3.382 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781774 721420414 /nfs/dbraw/zinc/42/04/14/721420414.db2.gz DZUXBWJSTZWKKZ-IYBDPMFKSA-N 1 1 459.616 3.382 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001164883475 721420562 /nfs/dbraw/zinc/42/05/62/721420562.db2.gz ABCDTLBMJNVREP-HOYKHHGWSA-N 1 1 465.038 3.456 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001164883477 721420604 /nfs/dbraw/zinc/42/06/04/721420604.db2.gz ABCDTLBMJNVREP-MHECFPHRSA-N 1 1 465.038 3.456 20 0 JGADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164790163 721431358 /nfs/dbraw/zinc/43/13/58/721431358.db2.gz XDMODHHKCQXAGH-HUUCEWRRSA-N 1 1 477.562 3.185 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4N4CCCCC4)C3)O2)CC1 ZINC001164899353 721431945 /nfs/dbraw/zinc/43/19/45/721431945.db2.gz YHVXHIVMQCGTSM-WXVAWEFUSA-N 1 1 464.658 3.386 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164783417 721433302 /nfs/dbraw/zinc/43/33/02/721433302.db2.gz INGLMXFVLSKLHR-IYBDPMFKSA-N 1 1 453.568 3.194 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164783417 721433306 /nfs/dbraw/zinc/43/33/06/721433306.db2.gz INGLMXFVLSKLHR-IYBDPMFKSA-N 1 1 453.568 3.194 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(C(=O)N5CCCCC5)cc4Cl)C3)O2)CC1 ZINC001164889549 721436998 /nfs/dbraw/zinc/43/69/98/721436998.db2.gz BNUUFRZIVBWXNV-OFVILXPXSA-N 1 1 476.065 3.127 20 0 JGADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)o2)cc1 ZINC001164892994 721437376 /nfs/dbraw/zinc/43/73/76/721437376.db2.gz INJBQLBSJLKOJS-LVXARBLLSA-N 1 1 462.598 3.359 20 0 JGADMO CCN(c1ccccc1)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncn1 ZINC001164897857 721443352 /nfs/dbraw/zinc/44/33/52/721443352.db2.gz VBEJJEZJMIBUSA-BVAGGSTKSA-N 1 1 450.631 3.400 20 0 JGADMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc(Cl)nc2)n1 ZINC001164898699 721444735 /nfs/dbraw/zinc/44/47/35/721444735.db2.gz WODPSCSCUDNSRH-RDPSFJRHSA-N 1 1 457.022 3.266 20 0 JGADMO COc1ccc(Oc2cc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc(C)n2)cc1 ZINC001164892986 721445494 /nfs/dbraw/zinc/44/54/94/721445494.db2.gz INHCJTCZKPICSB-BVAGGSTKSA-N 1 1 467.614 3.351 20 0 JGADMO COc1ccc(Oc2cc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc(C)n2)cc1 ZINC001164892991 721445628 /nfs/dbraw/zinc/44/56/28/721445628.db2.gz INHCJTCZKPICSB-ZEQKJWHPSA-N 1 1 467.614 3.351 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cncc(OCc5cccc(Cl)c5)n4)C3)O2)CC1 ZINC001164884947 721447039 /nfs/dbraw/zinc/44/70/39/721447039.db2.gz CZNFYEPKMYBXEK-DHLKQENFSA-N 1 1 472.033 3.474 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C3)O2)CC1 ZINC001164889139 721447762 /nfs/dbraw/zinc/44/77/62/721447762.db2.gz NWBPIMQGECJUME-DYESRHJHSA-N 1 1 487.979 3.137 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164788672 721450319 /nfs/dbraw/zinc/45/03/19/721450319.db2.gz SJYPVEBQXWPBQX-SFHVURJKSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164785064 721453475 /nfs/dbraw/zinc/45/34/75/721453475.db2.gz GHUYXMXDCCYMAT-QFIPXVFZSA-N 1 1 468.598 3.150 20 0 JGADMO CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885523 721453609 /nfs/dbraw/zinc/45/36/09/721453609.db2.gz FBPXRUJSAHAWQQ-ZJSXRUAMSA-N 1 1 496.046 3.422 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(cccc3C(=O)OC)n1)CC2 ZINC001164783336 721455643 /nfs/dbraw/zinc/45/56/43/721455643.db2.gz BPNZTKQRXWDTET-FQEVSTJZSA-N 1 1 468.598 3.150 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164782778 721458354 /nfs/dbraw/zinc/45/83/54/721458354.db2.gz BTIMLVWUABPXBG-GOSISDBHSA-N 1 1 467.010 3.041 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164789301 721458833 /nfs/dbraw/zinc/45/88/33/721458833.db2.gz WPKKCIROKCUWLD-JOCHJYFZSA-N 1 1 493.652 3.097 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(Cl)c(C(=O)OC)n1)CC2 ZINC001164784879 721458960 /nfs/dbraw/zinc/45/89/60/721458960.db2.gz KNSGCUCYYRRJKS-SFHVURJKSA-N 1 1 451.995 3.256 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)cc1OCC ZINC001164785845 721459571 /nfs/dbraw/zinc/45/95/71/721459571.db2.gz NYCBSZQPVVIALX-NRFANRHFSA-N 1 1 475.630 3.391 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164786683 721462344 /nfs/dbraw/zinc/46/23/44/721462344.db2.gz PDRXUFVZNXSYLL-QGZVFWFLSA-N 1 1 492.020 3.132 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164790035 721463571 /nfs/dbraw/zinc/46/35/71/721463571.db2.gz ZCWKYAMEBOVWMS-HXUWFJFHSA-N 1 1 455.578 3.412 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1/C=C\C(=O)OC)CC2 ZINC001164784664 721464193 /nfs/dbraw/zinc/46/41/93/721464193.db2.gz JHCYRWFJMHMCBX-KSEXMQBYSA-N 1 1 457.615 3.310 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1nc(C)n3C)CC2 ZINC001164790672 721465286 /nfs/dbraw/zinc/46/52/86/721465286.db2.gz UKHVPXXLSNYZMZ-GOSISDBHSA-N 1 1 463.026 3.059 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164787245 721467543 /nfs/dbraw/zinc/46/75/43/721467543.db2.gz DPFDPRFJWOLKLH-INIZCTEOSA-N 1 1 484.979 3.237 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164788186 721467841 /nfs/dbraw/zinc/46/78/41/721467841.db2.gz IMEKIRCXZBRBBK-GOSISDBHSA-N 1 1 474.980 3.331 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164789470 721467892 /nfs/dbraw/zinc/46/78/92/721467892.db2.gz NDAAJCUZTHBSMM-XMMPIXPASA-N 1 1 466.626 3.026 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164791236 721468379 /nfs/dbraw/zinc/46/83/79/721468379.db2.gz VPDXHYTZLFTQHQ-NRFANRHFSA-N 1 1 452.599 3.068 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCC[C@H](C)C3)ncn1)CC2 ZINC001164789549 721469062 /nfs/dbraw/zinc/46/90/62/721469062.db2.gz NZMKEFKBYYPVSR-JTHBVZDNSA-N 1 1 457.663 3.447 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164791226 721473946 /nfs/dbraw/zinc/47/39/46/721473946.db2.gz VLUUAGSOVALTLO-LJQANCHMSA-N 1 1 459.965 3.252 20 0 JGADMO O=C(C[C@@H]1COC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21)N1CCC(F)CC1 ZINC001164892452 721478419 /nfs/dbraw/zinc/47/84/19/721478419.db2.gz GCMQUZJYBKRWFT-SVFBPWRDSA-N 1 1 465.013 3.380 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@H]4C3)c2c1C ZINC001164791900 721482142 /nfs/dbraw/zinc/48/21/42/721482142.db2.gz KLOOMJUKQCBGCG-AQNXPRMDSA-N 1 1 485.654 3.299 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4COC[C@]4(CC(=O)NCC4CC4)C3)c2c1C ZINC001164892637 721483635 /nfs/dbraw/zinc/48/36/35/721483635.db2.gz AXHDYZMYFGKDFD-DFBJGRDBSA-N 1 1 469.655 3.273 20 0 JGADMO c1ccc(CN2CCc3nc(N(C[C@@H]4OC[C@H]5CC[NH2+]C[C@H]45)c4ncccn4)ccc3C2)cc1 ZINC001164793274 721484286 /nfs/dbraw/zinc/48/42/86/721484286.db2.gz UBTWRSPIHGKRFD-CUYJMHBOSA-N 1 1 456.594 3.193 20 0 JGADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2 ZINC001164795720 721500151 /nfs/dbraw/zinc/50/01/51/721500151.db2.gz KNXPOFYZWAPKKP-UHFFFAOYSA-N 1 1 455.628 3.142 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900103 721512520 /nfs/dbraw/zinc/51/25/20/721512520.db2.gz OAZCZBCMJMQPSH-HOCLYGCPSA-N 1 1 470.879 3.333 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164900264 721512534 /nfs/dbraw/zinc/51/25/34/721512534.db2.gz PGIWVLNQZIJBOU-GOEBONIOSA-N 1 1 470.879 3.333 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900101 721512855 /nfs/dbraw/zinc/51/28/55/721512855.db2.gz OAZCZBCMJMQPSH-GDBMZVCRSA-N 1 1 470.879 3.333 20 0 JGADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900728 721524448 /nfs/dbraw/zinc/52/44/48/721524448.db2.gz UIWGYYBYZHEOEH-PZJWPPBQSA-N 1 1 493.564 3.149 20 0 JGADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900723 721524719 /nfs/dbraw/zinc/52/47/19/721524719.db2.gz UIWGYYBYZHEOEH-CTNGQTDRSA-N 1 1 493.564 3.149 20 0 JGADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912317 721533962 /nfs/dbraw/zinc/53/39/62/721533962.db2.gz YVOMXZGUFHKOSL-ICSRJNTNSA-N 1 1 467.545 3.459 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164811190 721551161 /nfs/dbraw/zinc/55/11/61/721551161.db2.gz ZIPJCPPZFYJAGW-FUHIMQAGSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164811190 721551163 /nfs/dbraw/zinc/55/11/63/721551163.db2.gz ZIPJCPPZFYJAGW-FUHIMQAGSA-N 1 1 466.916 3.330 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907241 721556184 /nfs/dbraw/zinc/55/61/84/721556184.db2.gz MYLRPCPDDRUIQR-QUCCMNQESA-N 1 1 462.591 3.030 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164799528 721560528 /nfs/dbraw/zinc/56/05/28/721560528.db2.gz CHTSOLUHCSZMCF-SXWKCWPCSA-N 1 1 458.006 3.480 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164799528 721560531 /nfs/dbraw/zinc/56/05/31/721560531.db2.gz CHTSOLUHCSZMCF-SXWKCWPCSA-N 1 1 458.006 3.480 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)CC[N@H+]3C2)c1 ZINC001164904285 721568704 /nfs/dbraw/zinc/56/87/04/721568704.db2.gz DUQRAJLORGWJFC-DOTOQJQBSA-N 1 1 468.360 3.101 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806754 721568789 /nfs/dbraw/zinc/56/87/89/721568789.db2.gz RQPXQGSSQMIJFZ-BHIFYINESA-N 1 1 481.597 3.116 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806754 721568790 /nfs/dbraw/zinc/56/87/90/721568790.db2.gz RQPXQGSSQMIJFZ-BHIFYINESA-N 1 1 481.597 3.116 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808875 721568804 /nfs/dbraw/zinc/56/88/04/721568804.db2.gz WBOSBNSSGMEWCW-DSNGMDLFSA-N 1 1 474.609 3.279 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808875 721568805 /nfs/dbraw/zinc/56/88/05/721568805.db2.gz WBOSBNSSGMEWCW-DSNGMDLFSA-N 1 1 474.609 3.279 20 0 JGADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1=O ZINC001164904556 721575185 /nfs/dbraw/zinc/57/51/85/721575185.db2.gz WLQHECDLUIXUSF-PKOBYXMFSA-N 1 1 469.655 3.097 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164801878 721584967 /nfs/dbraw/zinc/58/49/67/721584967.db2.gz GCAFJULQBPASRD-INNMJMHTSA-N 1 1 485.636 3.066 20 0 JGADMO COc1cccc(CN2C[C@@H]3CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164801481 721592851 /nfs/dbraw/zinc/59/28/51/721592851.db2.gz FBKWATBWRVHJHI-URXFXBBRSA-N 1 1 470.639 3.115 20 0 JGADMO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164803227 721606223 /nfs/dbraw/zinc/60/62/23/721606223.db2.gz URAGIKGHGBRQDJ-NDEPHWFRSA-N 1 1 470.621 3.483 20 0 JGADMO C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009067 721691842 /nfs/dbraw/zinc/69/18/42/721691842.db2.gz NNXRIRMPUOSJCK-BLFHIAQRSA-N 1 1 465.598 3.352 20 0 JGADMO O=C1NCCc2[nH]c(-c3ccnc(N4CCC(F)(F)[C@@]5(CC[N@@H+](Cc6ccccn6)C5)C4)c3)cc21 ZINC001164903766 721701128 /nfs/dbraw/zinc/70/11/28/721701128.db2.gz CEYAOCMVTLDNSU-RUZDIDTESA-N 1 1 478.547 3.495 20 0 JGADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc-2n1 ZINC001164907450 721702481 /nfs/dbraw/zinc/70/24/81/721702481.db2.gz SYBKYRXRSJGXFL-QHCPKHFHSA-N 1 1 471.508 3.491 20 0 JGADMO CC(C)C(=O)N1CCC[C@@]12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001165009831 721726065 /nfs/dbraw/zinc/72/60/65/721726065.db2.gz ZODJLHNTHLLUQM-HRFSGMKKSA-N 1 1 485.673 3.108 20 0 JGADMO O=c1ccccn1Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164911832 721726629 /nfs/dbraw/zinc/72/66/29/721726629.db2.gz KVNQLPDYBQNPOV-XMMPIXPASA-N 1 1 451.521 3.424 20 0 JGADMO O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001165012704 721753266 /nfs/dbraw/zinc/75/32/66/721753266.db2.gz GTHDTCFPTPPUGB-VJBWXMMDSA-N 1 1 484.044 3.316 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)n1 ZINC001165013837 721757831 /nfs/dbraw/zinc/75/78/31/721757831.db2.gz SYWQMPLZTJNPAX-NNMXDRDESA-N 1 1 497.669 3.050 20 0 JGADMO CCOC(=O)[C@H]1CCc2nnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)cc2C1 ZINC001164912306 721766788 /nfs/dbraw/zinc/76/67/88/721766788.db2.gz XXTARTDYEKGOBJ-SFHVURJKSA-N 1 1 461.566 3.327 20 0 JGADMO CCOC(=O)[C@H]1CCc2nnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)cc2C1 ZINC001164912306 721766795 /nfs/dbraw/zinc/76/67/95/721766795.db2.gz XXTARTDYEKGOBJ-SFHVURJKSA-N 1 1 461.566 3.327 20 0 JGADMO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001165024690 721780486 /nfs/dbraw/zinc/78/04/86/721780486.db2.gz YRYBBVNZDSOKAB-CYXNTTPDSA-N 1 1 474.609 3.075 20 0 JGADMO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001165024690 721780490 /nfs/dbraw/zinc/78/04/90/721780490.db2.gz YRYBBVNZDSOKAB-CYXNTTPDSA-N 1 1 474.609 3.075 20 0 JGADMO Clc1ccc2c(c1)nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916272 721782610 /nfs/dbraw/zinc/78/26/10/721782610.db2.gz PHTHIYFFPZFCQI-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2c(c1)nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916272 721782614 /nfs/dbraw/zinc/78/26/14/721782614.db2.gz PHTHIYFFPZFCQI-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2[nH]c3ncnc(N4CCO[C@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c3c2c1 ZINC001164915139 721792343 /nfs/dbraw/zinc/79/23/43/721792343.db2.gz IMVXWBLUVUNGSS-XMMPIXPASA-N 1 1 464.957 3.267 20 0 JGADMO Clc1ccc2[nH]c3ncnc(N4CCO[C@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c3c2c1 ZINC001164915139 721792345 /nfs/dbraw/zinc/79/23/45/721792345.db2.gz IMVXWBLUVUNGSS-XMMPIXPASA-N 1 1 464.957 3.267 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C[C@@H]21 ZINC001165025888 721810761 /nfs/dbraw/zinc/81/07/61/721810761.db2.gz OCZKRNMYDBHWKN-KIVTUJJHSA-N 1 1 456.594 3.495 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C[C@H]21 ZINC001165025892 721810825 /nfs/dbraw/zinc/81/08/25/721810825.db2.gz OCZKRNMYDBHWKN-UWUFEASWSA-N 1 1 456.594 3.495 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(S(N)(=O)=O)cnc3Cl)C[C@H]21 ZINC001165023597 721820886 /nfs/dbraw/zinc/82/08/86/721820886.db2.gz IHGYWMOZYACVNA-POZUXBRTSA-N 1 1 485.988 3.059 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)N4CCOCC4)cc3Cl)C[C@H]21 ZINC001165024620 721825161 /nfs/dbraw/zinc/82/51/61/721825161.db2.gz KTZQKDQDLMZYAU-QTGUNEKASA-N 1 1 470.017 3.339 20 0 JGADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)CC[C@@H]2C1=O ZINC001164920057 721844570 /nfs/dbraw/zinc/84/45/70/721844570.db2.gz GATBLCYTSZOAHX-PZJWPPBQSA-N 1 1 495.649 3.120 20 0 JGADMO Fc1cnc(N2CCOC[C@@]3(CCCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2)nc1 ZINC001164919674 721845893 /nfs/dbraw/zinc/84/58/93/721845893.db2.gz CGDOKOUONZBZCX-HSZRJFAPSA-N 1 1 460.985 3.383 20 0 JGADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001165035339 721875412 /nfs/dbraw/zinc/87/54/12/721875412.db2.gz UOKOLSXUBZBXOM-AEFFLSMTSA-N 1 1 485.654 3.060 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)nc1 ZINC001164939184 721919445 /nfs/dbraw/zinc/91/94/45/721919445.db2.gz SOQDRZHEVYXQNH-JQYIIUTOSA-N 1 1 456.631 3.395 20 0 JGADMO CCc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(N2CCOCC2)n1 ZINC001164939687 721928662 /nfs/dbraw/zinc/92/86/62/721928662.db2.gz OMIKLBQBDMTTFZ-UHFFFAOYSA-N 1 1 451.615 3.055 20 0 JGADMO CCc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(N2CCOCC2)n1 ZINC001164939687 721928666 /nfs/dbraw/zinc/92/86/66/721928666.db2.gz OMIKLBQBDMTTFZ-UHFFFAOYSA-N 1 1 451.615 3.055 20 0 JGADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164952748 722000011 /nfs/dbraw/zinc/00/00/11/722000011.db2.gz UOWWKEASGLZUIN-NMVJMZGASA-N 1 1 475.618 3.263 20 0 JGADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164952750 722000197 /nfs/dbraw/zinc/00/01/97/722000197.db2.gz UOWWKEASGLZUIN-PFATUAPWSA-N 1 1 475.618 3.263 20 0 JGADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1C ZINC001164955452 722021236 /nfs/dbraw/zinc/02/12/36/722021236.db2.gz HKZGQPXIFDVTTR-UHFFFAOYSA-N 1 1 454.962 3.296 20 0 JGADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)C1 ZINC001164955676 722022192 /nfs/dbraw/zinc/02/21/92/722022192.db2.gz MUOKKZGEKNSXAQ-QFIPXVFZSA-N 1 1 464.614 3.144 20 0 JGADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963465 722059797 /nfs/dbraw/zinc/05/97/97/722059797.db2.gz YYYKWJGCHJBSDX-UHFFFAOYSA-N 1 1 463.920 3.017 20 0 JGADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164967460 722075811 /nfs/dbraw/zinc/07/58/11/722075811.db2.gz QUJVMQYWJCNHTL-BGYRXZFFSA-N 1 1 499.681 3.462 20 0 JGADMO CC(=O)N1[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164970286 722080199 /nfs/dbraw/zinc/08/01/99/722080199.db2.gz PPVANAAYVSPMOH-CMTIAEDTSA-N 1 1 470.621 3.352 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)C(C)C)C[C@@]3(CCCC(=O)N3)C2)nc1 ZINC001164977665 722088521 /nfs/dbraw/zinc/08/85/21/722088521.db2.gz XMWWKNLGHRSIGP-BKMJKUGQSA-N 1 1 455.647 3.362 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CN(c5cnn(C)c5)C(=O)[C@@H]4C3)c2c1C ZINC001164982450 722095556 /nfs/dbraw/zinc/09/55/56/722095556.db2.gz RGKBMCYFNPMQLU-PKOBYXMFSA-N 1 1 465.627 3.127 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CN(c5cnn(C)c5)C(=O)[C@H]4C3)c2c1C ZINC001164982449 722095588 /nfs/dbraw/zinc/09/55/88/722095588.db2.gz RGKBMCYFNPMQLU-MJGOQNOKSA-N 1 1 465.627 3.127 20 0 JGADMO c1ccc(CN2CCc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c3C2)cc1 ZINC001164985255 722104833 /nfs/dbraw/zinc/10/48/33/722104833.db2.gz VRWOWWOSZXOAIH-SQHAQQRYSA-N 1 1 470.621 3.157 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975465 722105196 /nfs/dbraw/zinc/10/51/96/722105196.db2.gz BVFQBGISJRPBFR-MOPGFXCFSA-N 1 1 478.975 3.397 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)OCC ZINC001164975103 722118700 /nfs/dbraw/zinc/11/87/00/722118700.db2.gz JKWWYCRERSEOAW-TZIWHRDSSA-N 1 1 476.021 3.194 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979014 722124300 /nfs/dbraw/zinc/12/43/00/722124300.db2.gz ORWGDNFLWFIZHD-HOTGVXAUSA-N 1 1 466.369 3.082 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979016 722124484 /nfs/dbraw/zinc/12/44/84/722124484.db2.gz ORWGDNFLWFIZHD-HZPDHXFCSA-N 1 1 466.369 3.082 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983663 722124850 /nfs/dbraw/zinc/12/48/50/722124850.db2.gz YXLPLNORPHHPEQ-FUHWJXTLSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983665 722125142 /nfs/dbraw/zinc/12/51/42/722125142.db2.gz YXLPLNORPHHPEQ-SJLPKXTDSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1cc2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164980307 722132048 /nfs/dbraw/zinc/13/20/48/722132048.db2.gz MQSAXXMBHMPXHG-OXQOHEQNSA-N 1 1 455.946 3.125 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983799 722136693 /nfs/dbraw/zinc/13/66/93/722136693.db2.gz UZOJCZKXMWFJDM-APWZRJJASA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973402 722139709 /nfs/dbraw/zinc/13/97/09/722139709.db2.gz CBXUEPIPYIACQE-LPHOPBHVSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973407 722139953 /nfs/dbraw/zinc/13/99/53/722139953.db2.gz CBXUEPIPYIACQE-QFBILLFUSA-N 1 1 466.916 3.189 20 0 JGADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975181 722150975 /nfs/dbraw/zinc/15/09/75/722150975.db2.gz FHRDLSJOWVMAHQ-ZWKOTPCHSA-N 1 1 476.915 3.452 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3c(CNC(=O)C(C)C)nnc3C2)n1 ZINC001164989368 722190375 /nfs/dbraw/zinc/19/03/75/722190375.db2.gz MQJUGCXESQGTHQ-UHFFFAOYSA-N 1 1 484.674 3.424 20 0 JGADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc4scnc4c(N4CCOCC4)n2)C3)c1 ZINC001164994961 722196852 /nfs/dbraw/zinc/19/68/52/722196852.db2.gz RBJMQVKISCIISM-HSZRJFAPSA-N 1 1 454.575 3.307 20 0 JGADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc4scnc4c(N4CCOCC4)n2)C3)c1 ZINC001164994962 722196903 /nfs/dbraw/zinc/19/69/03/722196903.db2.gz RBJMQVKISCIISM-QHCPKHFHSA-N 1 1 454.575 3.307 20 0 JGADMO COCCO[C@@H]1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]1Cc1cnn(C)c1 ZINC001164997434 722222886 /nfs/dbraw/zinc/22/28/86/722222886.db2.gz DPAIJLPBHLHSGJ-IZZNHLLZSA-N 1 1 461.610 3.226 20 0 JGADMO COCCO[C@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)[C@H]1Cc1cnn(C)c1 ZINC001164999382 722224674 /nfs/dbraw/zinc/22/46/74/722224674.db2.gz MJRNTZAPKQHWST-SFTDATJTSA-N 1 1 484.670 3.490 20 0 JGADMO COCCO[C@@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)[C@H]1Cc1cnn(C)c1 ZINC001164999379 722224816 /nfs/dbraw/zinc/22/48/16/722224816.db2.gz MJRNTZAPKQHWST-LEWJYISDSA-N 1 1 484.670 3.490 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nc(Cl)c4cc(F)ccc4n2)CC3)CC1 ZINC001164998027 722233517 /nfs/dbraw/zinc/23/35/17/722233517.db2.gz ZFDXRUHESCZMJZ-UHFFFAOYSA-N 1 1 477.922 3.114 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nnc(Cc4ccccc4)c4ccccc42)CC3)CC1 ZINC001165002632 722236976 /nfs/dbraw/zinc/23/69/76/722236976.db2.gz WISFDNGIJAWXAP-UHFFFAOYSA-N 1 1 465.605 3.368 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cnc(Cl)nc2Oc2ccc(F)cc2)CC3)CC1 ZINC001165002191 722237489 /nfs/dbraw/zinc/23/74/89/722237489.db2.gz QOUUWHZGWNYATA-UHFFFAOYSA-N 1 1 469.952 3.208 20 0 JGADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001874 722239583 /nfs/dbraw/zinc/23/95/83/722239583.db2.gz NWHAJWNCSNBTTG-UHFFFAOYSA-N 1 1 465.989 3.378 20 0 JGADMO Cc1cccc(Oc2nc(Cl)ncc2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001165002736 722239681 /nfs/dbraw/zinc/23/96/81/722239681.db2.gz XWGNUPTWMHUIGT-UHFFFAOYSA-N 1 1 465.989 3.378 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)n1 ZINC001165003023 722244171 /nfs/dbraw/zinc/24/41/71/722244171.db2.gz HDDTYFPMJCJMBS-PZJWPPBQSA-N 1 1 496.681 3.466 20 0 JGADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC001305801875 1069324638 /nfs/dbraw/zinc/32/46/38/1069324638.db2.gz AQAVOHLEOBLZDJ-DENIHFKCSA-N 1 1 468.646 3.257 20 0 JGADMO CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)OC ZINC001305805385 1069332274 /nfs/dbraw/zinc/33/22/74/1069332274.db2.gz BFOWOXMMJLHLRH-UXHICEINSA-N 1 1 452.603 3.384 20 0 JGADMO CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCCO[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001305810674 1069340563 /nfs/dbraw/zinc/34/05/63/1069340563.db2.gz PWQPNMXMRUZTOT-ZFGGDYGUSA-N 1 1 471.646 3.454 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)OC ZINC001305813994 1069345116 /nfs/dbraw/zinc/34/51/16/1069345116.db2.gz LIOCBMNZCXNYJA-LPHOPBHVSA-N 1 1 466.424 3.290 20 0 JGADMO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305818942 1069354107 /nfs/dbraw/zinc/35/41/07/1069354107.db2.gz FDXKOYNUROVGBN-ZVDOUQERSA-N 1 1 487.649 3.189 20 0 JGADMO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305818942 1069354123 /nfs/dbraw/zinc/35/41/23/1069354123.db2.gz FDXKOYNUROVGBN-ZVDOUQERSA-N 1 1 487.649 3.189 20 0 JGADMO CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCOC)CC1)Oc1ccccc1F ZINC001305822225 1069357816 /nfs/dbraw/zinc/35/78/16/1069357816.db2.gz XHDYAMFYNKHCQT-IBGZPJMESA-N 1 1 456.566 3.049 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)OC ZINC001305822530 1069358541 /nfs/dbraw/zinc/35/85/41/1069358541.db2.gz LJHPWHCTUVAFJB-NQIIRXRSSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CCOC)CC1)OC ZINC001305824855 1069363000 /nfs/dbraw/zinc/36/30/00/1069363000.db2.gz XFLFTPWMJSNJKE-INIZCTEOSA-N 1 1 470.387 3.040 20 0 JGADMO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1ccccc1F ZINC001305828418 1069368969 /nfs/dbraw/zinc/36/89/69/1069368969.db2.gz JOTKYOKAVKOMFV-ICSRJNTNSA-N 1 1 458.582 3.146 20 0 JGADMO CC[C@H](Cn1c(C2CCC2)nnc1N1CC[NH+](CCOC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001305829777 1069371016 /nfs/dbraw/zinc/37/10/16/1069371016.db2.gz PXSGYYNLGTYMRY-HXUWFJFHSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001305837058 1069379935 /nfs/dbraw/zinc/37/99/35/1069379935.db2.gz RRGHKZVTBDRNJD-DEOSSOPVSA-N 1 1 496.700 3.435 20 0 JGADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001305835831 1069377679 /nfs/dbraw/zinc/37/76/79/1069377679.db2.gz MNCLYSFWQXOQDF-VXKWHMMOSA-N 1 1 452.647 3.405 20 0 JGADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305841075 1069389093 /nfs/dbraw/zinc/38/90/93/1069389093.db2.gz HILGFIPLFWUGJO-CEWLAPEOSA-N 1 1 469.634 3.240 20 0 JGADMO CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001305844309 1069394034 /nfs/dbraw/zinc/39/40/34/1069394034.db2.gz XXANIFDYTQWZSE-NRFANRHFSA-N 1 1 471.650 3.488 20 0 JGADMO CC[C@@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCOC(C)C)CC2)O1 ZINC001305860919 1069417276 /nfs/dbraw/zinc/41/72/76/1069417276.db2.gz PHUCPNAHDHGOOW-DHLKQENFSA-N 1 1 456.635 3.159 20 0 JGADMO CC[C@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCOC(C)C)CC2)O1 ZINC001305860920 1069417377 /nfs/dbraw/zinc/41/73/77/1069417377.db2.gz PHUCPNAHDHGOOW-RCZVLFRGSA-N 1 1 456.635 3.159 20 0 JGADMO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305858427 1069413974 /nfs/dbraw/zinc/41/39/74/1069413974.db2.gz RYHPNWXFYFTBAC-CEMLEFRQSA-N 1 1 477.694 3.437 20 0 JGADMO CC[C@]1(C)CC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)O1 ZINC001305861585 1069418438 /nfs/dbraw/zinc/41/84/38/1069418438.db2.gz VMZRGBVTXZEMOT-SQJMNOBHSA-N 1 1 456.635 3.482 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001305875332 1069428901 /nfs/dbraw/zinc/42/89/01/1069428901.db2.gz PXZCOOAIZGNXTJ-TXTKFYIRSA-N 1 1 451.681 3.461 20 0 JGADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cc[nH+]c2C)CCO1 ZINC001305879544 1069432129 /nfs/dbraw/zinc/43/21/29/1069432129.db2.gz AZRJAACYFSNZCR-XMMPIXPASA-N 1 1 451.575 3.358 20 0 JGADMO CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001305893863 1069451063 /nfs/dbraw/zinc/45/10/63/1069451063.db2.gz WXWZEFFODMYCHE-MHECFPHRSA-N 1 1 463.573 3.121 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC001305916262 1069470909 /nfs/dbraw/zinc/47/09/09/1069470909.db2.gz DCDMUETTXXSVKA-CSGUBPAMSA-N 1 1 491.702 3.295 20 0 JGADMO CCc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001305916682 1069471454 /nfs/dbraw/zinc/47/14/54/1069471454.db2.gz GSOJZFFPSBMZRJ-BGYRXZFFSA-N 1 1 470.662 3.358 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC001305919690 1069474769 /nfs/dbraw/zinc/47/47/69/1069474769.db2.gz PUIQGJSJFJYIBT-HXHBTQRASA-N 1 1 459.660 3.138 20 0 JGADMO CN(CC(C)(C)C)c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298231817 1064139672 /nfs/dbraw/zinc/13/96/72/1064139672.db2.gz UTQKXDGSCWPUIY-HSZRJFAPSA-N 1 1 454.663 3.472 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1COCCO1 ZINC001298235897 1064141381 /nfs/dbraw/zinc/14/13/81/1064141381.db2.gz LRQXKBNNNDZRGL-QHCPKHFHSA-N 1 1 485.673 3.453 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC=CO1 ZINC001298235752 1064141388 /nfs/dbraw/zinc/14/13/88/1064141388.db2.gz JYENRJRWUJTOEL-LJQANCHMSA-N 1 1 461.010 3.481 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1 ZINC001298236639 1064142825 /nfs/dbraw/zinc/14/28/25/1064142825.db2.gz ZPVDZSWLIXPTMA-IBGZPJMESA-N 1 1 487.674 3.006 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CCCO1 ZINC001298238938 1064142879 /nfs/dbraw/zinc/14/28/79/1064142879.db2.gz CBZBDDCKKMTQBZ-RUZDIDTESA-N 1 1 475.609 3.360 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CCc2ccccc2)n1C[C@@H]1CC(F)(F)CO1 ZINC001298240741 1064146189 /nfs/dbraw/zinc/14/61/89/1064146189.db2.gz VJPLJQZBKDIKKB-NRFANRHFSA-N 1 1 477.600 3.282 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001298241041 1064147369 /nfs/dbraw/zinc/14/73/69/1064147369.db2.gz YGXUAXQVDRVDFZ-JOCHJYFZSA-N 1 1 471.646 3.200 20 0 JGADMO CN(Cc1cc(Cl)ccn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001298261970 1064157359 /nfs/dbraw/zinc/15/73/59/1064157359.db2.gz IVBZUKFUKFQWJU-RXVVDRJESA-N 1 1 489.045 3.168 20 0 JGADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)CCC1 ZINC001298268130 1064160689 /nfs/dbraw/zinc/16/06/89/1064160689.db2.gz QUAHAMZKCMHPRW-UHFFFAOYSA-N 1 1 453.587 3.487 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298274345 1064164159 /nfs/dbraw/zinc/16/41/59/1064164159.db2.gz CIXLFYHSUOTNBN-INIZCTEOSA-N 1 1 475.391 3.179 20 0 JGADMO CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001298288265 1064174342 /nfs/dbraw/zinc/17/43/42/1064174342.db2.gz IXPDFRUTIGQWMT-WWMYMODYSA-N 1 1 453.986 3.130 20 0 JGADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298292657 1064177615 /nfs/dbraw/zinc/17/76/15/1064177615.db2.gz PQGZVFZYVJXFAQ-UHFFFAOYSA-N 1 1 461.614 3.121 20 0 JGADMO CN(Cc1ccc(F)cc1F)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298311666 1064188004 /nfs/dbraw/zinc/18/80/04/1064188004.db2.gz DDGBUYMAZBZBJM-OAQYLSRUSA-N 1 1 456.541 3.025 20 0 JGADMO Cc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001298318146 1064193490 /nfs/dbraw/zinc/19/34/90/1064193490.db2.gz MFEUGXZQEYBNNO-IBGZPJMESA-N 1 1 455.624 3.420 20 0 JGADMO CN(Cc1ccc2c(c1)OCCO2)c1nnc(CC(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298325433 1064201027 /nfs/dbraw/zinc/20/10/27/1064201027.db2.gz YDPWVMUQPZIOPX-UHFFFAOYSA-N 1 1 470.662 3.300 20 0 JGADMO CN(Cc1ccc2c(c1)OCCO2)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298325433 1064201033 /nfs/dbraw/zinc/20/10/33/1064201033.db2.gz YDPWVMUQPZIOPX-UHFFFAOYSA-N 1 1 470.662 3.300 20 0 JGADMO CN(Cc1ccc2c(c1)OCCO2)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298325433 1064201041 /nfs/dbraw/zinc/20/10/41/1064201041.db2.gz YDPWVMUQPZIOPX-UHFFFAOYSA-N 1 1 470.662 3.300 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C(C)(C)C)C1 ZINC001298350342 1064213894 /nfs/dbraw/zinc/21/38/94/1064213894.db2.gz IJZLBDZGFUTRBK-QHCPKHFHSA-N 1 1 475.641 3.137 20 0 JGADMO C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001298351612 1064215252 /nfs/dbraw/zinc/21/52/52/1064215252.db2.gz WGXIDXFDXJNMPI-JOCHJYFZSA-N 1 1 473.687 3.359 20 0 JGADMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC001298377117 1064225355 /nfs/dbraw/zinc/22/53/55/1064225355.db2.gz KBUABYYYVIUPIS-HNAYVOBHSA-N 1 1 458.356 3.243 20 0 JGADMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)[C@@H]2C1 ZINC001298378289 1064225391 /nfs/dbraw/zinc/22/53/91/1064225391.db2.gz XIZIYSVASVMQQB-NZQKXSOJSA-N 1 1 455.624 3.239 20 0 JGADMO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1OC ZINC001298379104 1064226082 /nfs/dbraw/zinc/22/60/82/1064226082.db2.gz ZAQVGFPJYXUAOH-AYOQOUSVSA-N 1 1 453.539 3.117 20 0 JGADMO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC001298378619 1064226110 /nfs/dbraw/zinc/22/61/10/1064226110.db2.gz LWKULMREXVMRNH-PGRDOPGGSA-N 1 1 457.596 3.069 20 0 JGADMO CN(Cc1cnccn1)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298406775 1064238057 /nfs/dbraw/zinc/23/80/57/1064238057.db2.gz KQNWYMOXVXQVDR-INIZCTEOSA-N 1 1 492.447 3.042 20 0 JGADMO CN(Cc1cnccn1)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298411237 1064240772 /nfs/dbraw/zinc/24/07/72/1064240772.db2.gz XREOSUPGSJMNSA-UHFFFAOYSA-N 1 1 459.957 3.275 20 0 JGADMO CN(Cc1cnccn1)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298411237 1064240777 /nfs/dbraw/zinc/24/07/77/1064240777.db2.gz XREOSUPGSJMNSA-UHFFFAOYSA-N 1 1 459.957 3.275 20 0 JGADMO CN(CC1CC(F)C1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298481970 1064274051 /nfs/dbraw/zinc/27/40/51/1064274051.db2.gz JSDCMQFHULQPGM-VJFUWPCTSA-N 1 1 483.430 3.077 20 0 JGADMO CN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298518048 1064287632 /nfs/dbraw/zinc/28/76/32/1064287632.db2.gz OKPNQLIZVGGGQL-KDURUIRLSA-N 1 1 462.639 3.006 20 0 JGADMO CN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001298518048 1064287646 /nfs/dbraw/zinc/28/76/46/1064287646.db2.gz OKPNQLIZVGGGQL-KDURUIRLSA-N 1 1 462.639 3.006 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298542444 1064303462 /nfs/dbraw/zinc/30/34/62/1064303462.db2.gz WCXTVSVNEUCWFZ-GOSISDBHSA-N 1 1 463.573 3.263 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298542444 1064303474 /nfs/dbraw/zinc/30/34/74/1064303474.db2.gz WCXTVSVNEUCWFZ-GOSISDBHSA-N 1 1 463.573 3.263 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298553334 1064319185 /nfs/dbraw/zinc/31/91/85/1064319185.db2.gz AOFXULYJFJWLEL-KRWDZBQOSA-N 1 1 495.466 3.020 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(CCCc2ccccc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298561100 1064328779 /nfs/dbraw/zinc/32/87/79/1064328779.db2.gz SQQYAFZTLAFAOA-QHCPKHFHSA-N 1 1 455.647 3.427 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298561347 1064329060 /nfs/dbraw/zinc/32/90/60/1064329060.db2.gz YGKVCDLZJWICOP-LJQANCHMSA-N 1 1 474.675 3.254 20 0 JGADMO CN(CC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)CC1)C(=O)OC(C)(C)C ZINC001298564862 1064333224 /nfs/dbraw/zinc/33/32/24/1064333224.db2.gz MQGCUNSPJRBAFM-NRFANRHFSA-N 1 1 474.650 3.127 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298565249 1064334471 /nfs/dbraw/zinc/33/44/71/1064334471.db2.gz BACZVKBMURPSGN-QGZVFWFLSA-N 1 1 478.435 3.291 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCOC2)n1CCC(=O)NC(C)(C)C ZINC001298565360 1064335169 /nfs/dbraw/zinc/33/51/69/1064335169.db2.gz BPTMHMGSFWGMFT-YADHBBJMSA-N 1 1 468.646 3.045 20 0 JGADMO CC(C)N1CC[NH+](CCC(=O)N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC001298567461 1064338832 /nfs/dbraw/zinc/33/88/32/1064338832.db2.gz WLQWGGZILAAGPG-WIOPSUGQSA-N 1 1 455.574 3.109 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCC(=O)N2)n1CCOC(C)(C)C ZINC001298567980 1064340370 /nfs/dbraw/zinc/34/03/70/1064340370.db2.gz PABPUSOFGDEIPB-NHCUHLMSSA-N 1 1 454.619 3.003 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298572016 1064346277 /nfs/dbraw/zinc/34/62/77/1064346277.db2.gz UXDUDDOLHXVUFH-OAHLLOKOSA-N 1 1 484.464 3.353 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298588241 1064361960 /nfs/dbraw/zinc/36/19/60/1064361960.db2.gz VWPUCDGAOQDBQJ-IBGZPJMESA-N 1 1 478.037 3.281 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(Cc2cccnc2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298588317 1064362193 /nfs/dbraw/zinc/36/21/93/1064362193.db2.gz GZMXWQXAUPVTLE-UHFFFAOYSA-N 1 1 456.635 3.364 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2ccc3c(c2)OCO3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298592953 1064366415 /nfs/dbraw/zinc/36/64/15/1064366415.db2.gz AJSFNQOKBRRQDB-UHFFFAOYSA-N 1 1 455.481 3.173 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2ccc3c(c2)OCO3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298592953 1064366428 /nfs/dbraw/zinc/36/64/28/1064366428.db2.gz AJSFNQOKBRRQDB-UHFFFAOYSA-N 1 1 455.481 3.173 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(CCOc2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298600823 1064375302 /nfs/dbraw/zinc/37/53/02/1064375302.db2.gz PZBQZMFWNWLLFT-UHFFFAOYSA-N 1 1 468.568 3.314 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(CCOc2ccccc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298600823 1064375311 /nfs/dbraw/zinc/37/53/11/1064375311.db2.gz PZBQZMFWNWLLFT-UHFFFAOYSA-N 1 1 468.568 3.314 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(CCOc2ccccc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298600823 1064375323 /nfs/dbraw/zinc/37/53/23/1064375323.db2.gz PZBQZMFWNWLLFT-UHFFFAOYSA-N 1 1 468.568 3.314 20 0 JGADMO CN(CCc1ccc(Br)cc1)c1nnc(C2CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298612807 1064384392 /nfs/dbraw/zinc/38/43/92/1064384392.db2.gz QZABQHAINSAFQD-FQEVSTJZSA-N 1 1 462.436 3.444 20 0 JGADMO CN(CCc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298617709 1064388954 /nfs/dbraw/zinc/38/89/54/1064388954.db2.gz IEKAXDQHBCFOLJ-UHFFFAOYSA-N 1 1 456.610 3.341 20 0 JGADMO CN(CCc1cnccn1)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+](C)C1CCCC1 ZINC001298631763 1064406685 /nfs/dbraw/zinc/40/66/85/1064406685.db2.gz SJYBBPILNXATLC-UHFFFAOYSA-N 1 1 455.557 3.490 20 0 JGADMO CN(CCc1cnccn1)c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CC=CCC1 ZINC001298633468 1064409058 /nfs/dbraw/zinc/40/90/58/1064409058.db2.gz ZTVCHZUKVZUQKM-UHFFFAOYSA-N 1 1 468.403 3.438 20 0 JGADMO CC[C@H](C(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001298661599 1064438577 /nfs/dbraw/zinc/43/85/77/1064438577.db2.gz WJKIDDXKEMJWKH-JLLPCOHGSA-N 1 1 457.615 3.429 20 0 JGADMO CC[C@H](C(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001298661599 1064438583 /nfs/dbraw/zinc/43/85/83/1064438583.db2.gz WJKIDDXKEMJWKH-JLLPCOHGSA-N 1 1 457.615 3.429 20 0 JGADMO C[N@@H+](CCCn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298673971 1064459095 /nfs/dbraw/zinc/45/90/95/1064459095.db2.gz FWQXHQYZWHWWHQ-HSZRJFAPSA-N 1 1 488.702 3.322 20 0 JGADMO C[N@@H+](CCCn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CCCCC1 ZINC001298675207 1064462530 /nfs/dbraw/zinc/46/25/30/1064462530.db2.gz DHJNYARCQROOBT-UHFFFAOYSA-N 1 1 494.731 3.103 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(C2CCC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001298689675 1064486721 /nfs/dbraw/zinc/48/67/21/1064486721.db2.gz FDQNPIXLVZOPDT-GOSISDBHSA-N 1 1 451.662 3.315 20 0 JGADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)CC2)cc1 ZINC001298695400 1064493716 /nfs/dbraw/zinc/49/37/16/1064493716.db2.gz ACPJTALPEVKRCX-QFIPXVFZSA-N 1 1 457.615 3.035 20 0 JGADMO C[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC001298697496 1064500012 /nfs/dbraw/zinc/50/00/12/1064500012.db2.gz HGGQDQQETRAIFO-QGZVFWFLSA-N 1 1 475.435 3.284 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS(=O)(=O)CC1)C1CCCC1 ZINC001298698701 1064502007 /nfs/dbraw/zinc/50/20/07/1064502007.db2.gz XMDHRYPIFXSAMP-UHFFFAOYSA-N 1 1 472.442 3.361 20 0 JGADMO Cn1cc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[N@@H+](C)C2CCCCC2)cn1 ZINC001298703834 1064504982 /nfs/dbraw/zinc/50/49/82/1064504982.db2.gz AFXYQJNGOYINIS-UHFFFAOYSA-N 1 1 467.540 3.291 20 0 JGADMO Cn1cc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cn1 ZINC001298703846 1064505194 /nfs/dbraw/zinc/50/51/94/1064505194.db2.gz ARZXFZWPSFHNIE-UHFFFAOYSA-N 1 1 498.607 3.007 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298704147 1064506385 /nfs/dbraw/zinc/50/63/85/1064506385.db2.gz IZCHRXJAGUGOCI-HXUWFJFHSA-N 1 1 496.591 3.110 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298704146 1064506442 /nfs/dbraw/zinc/50/64/42/1064506442.db2.gz IZCHRXJAGUGOCI-FQEVSTJZSA-N 1 1 496.591 3.110 20 0 JGADMO CN(CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001298704721 1064508160 /nfs/dbraw/zinc/50/81/60/1064508160.db2.gz XNUACXBYNLCYDP-OAQYLSRUSA-N 1 1 492.628 3.313 20 0 JGADMO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001298705597 1064510049 /nfs/dbraw/zinc/51/00/49/1064510049.db2.gz HSIFVFDNKOGTQE-FQEVSTJZSA-N 1 1 484.649 3.445 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)Cc1ccccc1 ZINC001298705865 1064510969 /nfs/dbraw/zinc/51/09/69/1064510969.db2.gz LXEDZSKOMNWENW-JOCHJYFZSA-N 1 1 490.656 3.246 20 0 JGADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O ZINC001298706315 1064512141 /nfs/dbraw/zinc/51/21/41/1064512141.db2.gz SGTMOVQPJREENO-VLIAUNLRSA-N 1 1 451.409 3.214 20 0 JGADMO C[N@@H+](CCn1c(C2CCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)C1CCCC1 ZINC001298709057 1064515039 /nfs/dbraw/zinc/51/50/39/1064515039.db2.gz QFNIZFLAWOKHQN-UHFFFAOYSA-N 1 1 456.557 3.315 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CCCC1 ZINC001298710071 1064515777 /nfs/dbraw/zinc/51/57/77/1064515777.db2.gz XCXFTDSJAQPJJS-RTWAWAEBSA-N 1 1 474.694 3.425 20 0 JGADMO CN(CCn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001298711488 1064516220 /nfs/dbraw/zinc/51/62/20/1064516220.db2.gz BGMOMFNGELUCRH-IBGZPJMESA-N 1 1 460.648 3.472 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC001298714216 1064523901 /nfs/dbraw/zinc/52/39/01/1064523901.db2.gz LGKTWWGWQGRBLJ-SJORKVTESA-N 1 1 477.597 3.223 20 0 JGADMO CN(CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001298714807 1064524184 /nfs/dbraw/zinc/52/41/84/1064524184.db2.gz QJQVWANZGAQOGD-NRFANRHFSA-N 1 1 480.579 3.379 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001298714811 1064524638 /nfs/dbraw/zinc/52/46/38/1064524638.db2.gz QMOGGWQNBKCVSR-FCHUYYIVSA-N 1 1 484.645 3.408 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1)C1CCCCC1 ZINC001298715968 1064525141 /nfs/dbraw/zinc/52/51/41/1064525141.db2.gz ZWXWWEYDLUKQED-MRXNPFEDSA-N 1 1 475.581 3.144 20 0 JGADMO CN(CCn1c(CCOc2ccccc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001298718296 1064528566 /nfs/dbraw/zinc/52/85/66/1064528566.db2.gz ZDQDDQJLJSRFNY-NRFANRHFSA-N 1 1 484.645 3.441 20 0 JGADMO CN(CCn1cccn1)c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298722571 1064533564 /nfs/dbraw/zinc/53/35/64/1064533564.db2.gz MONIMLQURUEMFE-UHFFFAOYSA-N 1 1 488.434 3.151 20 0 JGADMO CN(CCn1cccn1)c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298722571 1064533581 /nfs/dbraw/zinc/53/35/81/1064533581.db2.gz MONIMLQURUEMFE-UHFFFAOYSA-N 1 1 488.434 3.151 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001298727278 1064536224 /nfs/dbraw/zinc/53/62/24/1064536224.db2.gz DNMMPWRXWNQBFC-XMMPIXPASA-N 1 1 473.021 3.381 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001298727278 1064536237 /nfs/dbraw/zinc/53/62/37/1064536237.db2.gz DNMMPWRXWNQBFC-XMMPIXPASA-N 1 1 473.021 3.381 20 0 JGADMO C[N@@H+](CCN1CCN(c2nnc(C3CCC3)n2CCC(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC001298727654 1064536902 /nfs/dbraw/zinc/53/69/02/1064536902.db2.gz HDWABUBOLWGAQQ-UHFFFAOYSA-N 1 1 481.689 3.104 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(C)(C)C ZINC001298728354 1064539956 /nfs/dbraw/zinc/53/99/56/1064539956.db2.gz RSTNLQGGWSGDKP-UHFFFAOYSA-N 1 1 481.649 3.294 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(C)(C)C ZINC001298728354 1064539967 /nfs/dbraw/zinc/53/99/67/1064539967.db2.gz RSTNLQGGWSGDKP-UHFFFAOYSA-N 1 1 481.649 3.294 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)COCCO1 ZINC001298728674 1064542292 /nfs/dbraw/zinc/54/22/92/1064542292.db2.gz ZHSQGKZCIXDORL-HSZRJFAPSA-N 1 1 482.000 3.090 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)COCCO1 ZINC001298728674 1064542306 /nfs/dbraw/zinc/54/23/06/1064542306.db2.gz ZHSQGKZCIXDORL-HSZRJFAPSA-N 1 1 482.000 3.090 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1CCc1cccc(F)c1 ZINC001298728998 1064543259 /nfs/dbraw/zinc/54/32/59/1064543259.db2.gz DXQBVDGYPJEYOZ-UHFFFAOYSA-N 1 1 452.578 3.193 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1CCc1cccc(F)c1 ZINC001298728998 1064543271 /nfs/dbraw/zinc/54/32/71/1064543271.db2.gz DXQBVDGYPJEYOZ-UHFFFAOYSA-N 1 1 452.578 3.193 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1C[C@@](C)(O)C1CCCCC1 ZINC001298730020 1064543871 /nfs/dbraw/zinc/54/38/71/1064543871.db2.gz PIIRBBPXVJAVPV-AREMUKBSSA-N 1 1 470.662 3.142 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1C[C@@](C)(O)C1CCCCC1 ZINC001298730020 1064543882 /nfs/dbraw/zinc/54/38/82/1064543882.db2.gz PIIRBBPXVJAVPV-AREMUKBSSA-N 1 1 470.662 3.142 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001298729986 1064544459 /nfs/dbraw/zinc/54/44/59/1064544459.db2.gz OYIBJHWTFUHUDO-JOCHJYFZSA-N 1 1 471.646 3.342 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001298729986 1064544469 /nfs/dbraw/zinc/54/44/69/1064544469.db2.gz OYIBJHWTFUHUDO-JOCHJYFZSA-N 1 1 471.646 3.342 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CCOc2ccccc2)n1CC1(O)CCCCC1 ZINC001298732621 1064547510 /nfs/dbraw/zinc/54/75/10/1064547510.db2.gz COPARGKBTOFDOG-UHFFFAOYSA-N 1 1 471.646 3.142 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CCOc2ccccc2)n1CC1(O)CCCCC1 ZINC001298732621 1064547523 /nfs/dbraw/zinc/54/75/23/1064547523.db2.gz COPARGKBTOFDOG-UHFFFAOYSA-N 1 1 471.646 3.142 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CC(=O)NC1CCCCC1 ZINC001298733219 1064548133 /nfs/dbraw/zinc/54/81/33/1064548133.db2.gz LJADAQYOMDTESM-UHFFFAOYSA-N 1 1 460.667 3.007 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CC(=O)NC1CCCCC1 ZINC001298733219 1064548148 /nfs/dbraw/zinc/54/81/48/1064548148.db2.gz LJADAQYOMDTESM-UHFFFAOYSA-N 1 1 460.667 3.007 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCOC1 ZINC001298733380 1064548360 /nfs/dbraw/zinc/54/83/60/1064548360.db2.gz OUHDCWPVVIAXSB-GOSISDBHSA-N 1 1 464.010 3.094 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCOC1 ZINC001298733380 1064548375 /nfs/dbraw/zinc/54/83/75/1064548375.db2.gz OUHDCWPVVIAXSB-GOSISDBHSA-N 1 1 464.010 3.094 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@@H]1CSCCS1 ZINC001298734069 1064549904 /nfs/dbraw/zinc/54/99/04/1064549904.db2.gz XBMIIXBOJKMKGC-LJQANCHMSA-N 1 1 453.722 3.406 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@@H]1CSCCS1 ZINC001298734069 1064549914 /nfs/dbraw/zinc/54/99/14/1064549914.db2.gz XBMIIXBOJKMKGC-LJQANCHMSA-N 1 1 453.722 3.406 20 0 JGADMO CN(CCN1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298738790 1064553463 /nfs/dbraw/zinc/55/34/63/1064553463.db2.gz NIQOAKTYIZGDFK-UHFFFAOYSA-N 1 1 458.626 3.041 20 0 JGADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC001298774256 1064579565 /nfs/dbraw/zinc/57/95/65/1064579565.db2.gz OCQHFKOTLHKHCY-UHFFFAOYSA-N 1 1 459.432 3.307 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1CCCC(=O)NC1CC1 ZINC001298782532 1064586908 /nfs/dbraw/zinc/58/69/08/1064586908.db2.gz WKKUKXNHHJFTKG-YADARESESA-N 1 1 484.693 3.178 20 0 JGADMO CN(C[C@H]1CCCO1)c1nnc(CCCc2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298790014 1064591567 /nfs/dbraw/zinc/59/15/67/1064591567.db2.gz IQCJUPNMBUBIKA-HSZRJFAPSA-N 1 1 454.663 3.095 20 0 JGADMO CN(C[C@H]1CCCO1)c1nnc(CCCc2ccccc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298790014 1064591581 /nfs/dbraw/zinc/59/15/81/1064591581.db2.gz IQCJUPNMBUBIKA-HSZRJFAPSA-N 1 1 454.663 3.095 20 0 JGADMO CN(C[C@H]1CCCO1)c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298790014 1064591597 /nfs/dbraw/zinc/59/15/97/1064591597.db2.gz IQCJUPNMBUBIKA-HSZRJFAPSA-N 1 1 454.663 3.095 20 0 JGADMO CN1C(=O)NC2(CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+](C)C3CCCCC3)CC2)C1=O ZINC001298799080 1064596451 /nfs/dbraw/zinc/59/64/51/1064596451.db2.gz UVFBVGCNBFGCMP-UHFFFAOYSA-N 1 1 473.666 3.042 20 0 JGADMO Cn1cc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)cn1 ZINC001298812033 1064614602 /nfs/dbraw/zinc/61/46/02/1064614602.db2.gz ZRHUTUZLAHSONL-UHFFFAOYSA-N 1 1 486.665 3.294 20 0 JGADMO Cn1cc(CCCn2c(N3CC[NH+](CCOc4ccccc4)CC3)nnc2C(C)(C)C)cn1 ZINC001298827446 1064630382 /nfs/dbraw/zinc/63/03/82/1064630382.db2.gz HNGKXDBDZUOGMB-UHFFFAOYSA-N 1 1 451.619 3.143 20 0 JGADMO Cn1cc(Nc2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@H+]2CCCO)cn1 ZINC001298840020 1064642419 /nfs/dbraw/zinc/64/24/19/1064642419.db2.gz AAEZGAFUDSUGQD-KRWDZBQOSA-N 1 1 480.400 3.488 20 0 JGADMO CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001298864986 1064669571 /nfs/dbraw/zinc/66/95/71/1064669571.db2.gz NXLJTCGCASEEBJ-LEWJYISDSA-N 1 1 457.596 3.177 20 0 JGADMO CN(CCCOc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298877459 1064682447 /nfs/dbraw/zinc/68/24/47/1064682447.db2.gz FUFYCVLTZREYFP-HSZRJFAPSA-N 1 1 474.968 3.105 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C(C)(C)C)C2)C1 ZINC001298878205 1064683179 /nfs/dbraw/zinc/68/31/79/1064683179.db2.gz KMAIXIXLEIFBSU-AVRDEDQJSA-N 1 1 478.435 3.026 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001298878752 1064684073 /nfs/dbraw/zinc/68/40/73/1064684073.db2.gz LXCNDQCBHXCLGY-RPWUZVMVSA-N 1 1 479.572 3.255 20 0 JGADMO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298881484 1064687459 /nfs/dbraw/zinc/68/74/59/1064687459.db2.gz GIWWBRJOHIAKBC-HXUWFJFHSA-N 1 1 484.523 3.186 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298881220 1064687581 /nfs/dbraw/zinc/68/75/81/1064687581.db2.gz DIODNUFKUKXAAS-HTAPYJJXSA-N 1 1 466.051 3.153 20 0 JGADMO C[C@@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC[N@H+]1Cc1ccccc1 ZINC001298884942 1064691026 /nfs/dbraw/zinc/69/10/26/1064691026.db2.gz CLKJDYHMRJVMNE-DVECYGJZSA-N 1 1 451.592 3.287 20 0 JGADMO C[C@@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC[N@H+]1Cc1ccccc1 ZINC001298884943 1064691075 /nfs/dbraw/zinc/69/10/75/1064691075.db2.gz CLKJDYHMRJVMNE-NTKDMRAZSA-N 1 1 451.592 3.287 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001298885231 1064691124 /nfs/dbraw/zinc/69/11/24/1064691124.db2.gz HXGYICCCQDUSKC-KRWDZBQOSA-N 1 1 471.547 3.416 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 ZINC001298885265 1064691211 /nfs/dbraw/zinc/69/12/11/1064691211.db2.gz IIRJMPJDUZPIRR-SFHVURJKSA-N 1 1 454.015 3.427 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001298885973 1064692186 /nfs/dbraw/zinc/69/21/86/1064692186.db2.gz CEZPBTKUNJTSKK-HBMCJLEFSA-N 1 1 474.694 3.424 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001298886314 1064693880 /nfs/dbraw/zinc/69/38/80/1064693880.db2.gz FNJCQTWLSSAABF-FCHUYYIVSA-N 1 1 452.647 3.276 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886371 1064694066 /nfs/dbraw/zinc/69/40/66/1064694066.db2.gz GCWZHOXUITZVFK-SJORKVTESA-N 1 1 457.541 3.250 20 0 JGADMO Cn1cccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298886688 1064694859 /nfs/dbraw/zinc/69/48/59/1064694859.db2.gz QTAHCSVFSBRBTQ-SFHVURJKSA-N 1 1 453.557 3.088 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(F)(F)F)CC1 ZINC001298886847 1064695962 /nfs/dbraw/zinc/69/59/62/1064695962.db2.gz HUTZGAJMCXPMTF-LJQANCHMSA-N 1 1 482.526 3.093 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCCOc2ccc(F)cc2)CC1 ZINC001298890002 1064699386 /nfs/dbraw/zinc/69/93/86/1064699386.db2.gz YGJKLFXDEGGDKQ-JOCHJYFZSA-N 1 1 486.636 3.317 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001298890167 1064700511 /nfs/dbraw/zinc/70/05/11/1064700511.db2.gz ZSQVUVLGKYVYNS-GOSISDBHSA-N 1 1 470.584 3.342 20 0 JGADMO C[N@H+]1CCN(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3)CC2)CC1(C)C ZINC001298896100 1064702582 /nfs/dbraw/zinc/70/25/82/1064702582.db2.gz FPYJUFBDYDMDGX-UHFFFAOYSA-N 1 1 453.679 3.219 20 0 JGADMO CN1CC[N@H+](CCn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3)CC2)CC1(C)C ZINC001298896100 1064702589 /nfs/dbraw/zinc/70/25/89/1064702589.db2.gz FPYJUFBDYDMDGX-UHFFFAOYSA-N 1 1 453.679 3.219 20 0 JGADMO CN1CC[N@@H+](CCn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3)CC2)CC1(C)C ZINC001298896100 1064702602 /nfs/dbraw/zinc/70/26/02/1064702602.db2.gz FPYJUFBDYDMDGX-UHFFFAOYSA-N 1 1 453.679 3.219 20 0 JGADMO C[N@H+]1CCN(CCn2c(C3CCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1(C)C ZINC001298896089 1064702913 /nfs/dbraw/zinc/70/29/13/1064702913.db2.gz FPGIUMIWWMBYDK-JOCHJYFZSA-N 1 1 472.600 3.101 20 0 JGADMO CN1CC[N@H+](CCn2c(C3CCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1(C)C ZINC001298896089 1064702924 /nfs/dbraw/zinc/70/29/24/1064702924.db2.gz FPGIUMIWWMBYDK-JOCHJYFZSA-N 1 1 472.600 3.101 20 0 JGADMO CN1CC[N@@H+](CCn2c(C3CCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1(C)C ZINC001298896089 1064702934 /nfs/dbraw/zinc/70/29/34/1064702934.db2.gz FPGIUMIWWMBYDK-JOCHJYFZSA-N 1 1 472.600 3.101 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298897994 1064704300 /nfs/dbraw/zinc/70/43/00/1064704300.db2.gz QPDAXUWGFJBQJC-KRWDZBQOSA-N 1 1 453.557 3.088 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298897994 1064704318 /nfs/dbraw/zinc/70/43/18/1064704318.db2.gz QPDAXUWGFJBQJC-KRWDZBQOSA-N 1 1 453.557 3.088 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298897994 1064704335 /nfs/dbraw/zinc/70/43/35/1064704335.db2.gz QPDAXUWGFJBQJC-KRWDZBQOSA-N 1 1 453.557 3.088 20 0 JGADMO Cn1ccc(Nc2nnc(-c3cccc(Br)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001298903676 1064708840 /nfs/dbraw/zinc/70/88/40/1064708840.db2.gz ZRXWZYJYHFIXFZ-UHFFFAOYSA-N 1 1 473.423 3.211 20 0 JGADMO Cn1ccc(Nc2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001298903676 1064708854 /nfs/dbraw/zinc/70/88/54/1064708854.db2.gz ZRXWZYJYHFIXFZ-UHFFFAOYSA-N 1 1 473.423 3.211 20 0 JGADMO Cn1ccc(Nc2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001298903676 1064708869 /nfs/dbraw/zinc/70/88/69/1064708869.db2.gz ZRXWZYJYHFIXFZ-UHFFFAOYSA-N 1 1 473.423 3.211 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001298922721 1064723042 /nfs/dbraw/zinc/72/30/42/1064723042.db2.gz XOWKQUAJBBTGCN-HNAYVOBHSA-N 1 1 495.455 3.181 20 0 JGADMO Cc1cccn(Cc2c(F)cccc2NC(=O)c2ccc(CN3CC[NH+](C)CC3)s2)c1=O ZINC001298927004 1064726625 /nfs/dbraw/zinc/72/66/25/1064726625.db2.gz YAOIIYFTTQAOSM-UHFFFAOYSA-N 1 1 454.571 3.405 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001298927415 1064726892 /nfs/dbraw/zinc/72/68/92/1064726892.db2.gz XJGUZCOGIMIINC-QFIPXVFZSA-N 1 1 475.641 3.379 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001298931964 1064729416 /nfs/dbraw/zinc/72/94/16/1064729416.db2.gz IRLRUICLZKVCLT-CTNGQTDRSA-N 1 1 454.619 3.003 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CC=CCC1 ZINC001298952539 1064744012 /nfs/dbraw/zinc/74/40/12/1064744012.db2.gz DSCPUJXPPQWMOE-PZJWPPBQSA-N 1 1 454.619 3.115 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001298968366 1064758857 /nfs/dbraw/zinc/75/88/57/1064758857.db2.gz YDYJMCGXAVISNM-ZWKOTPCHSA-N 1 1 462.042 3.466 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001298969612 1064760957 /nfs/dbraw/zinc/76/09/57/1064760957.db2.gz CIHKWKVCXGOKTA-BHIFYINESA-N 1 1 492.672 3.317 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001298979715 1064766208 /nfs/dbraw/zinc/76/62/08/1064766208.db2.gz XDOZKHGGFBCVFD-OALUTQOASA-N 1 1 465.602 3.150 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001298979717 1064766635 /nfs/dbraw/zinc/76/66/35/1064766635.db2.gz XDOZKHGGFBCVFD-RTBURBONSA-N 1 1 465.602 3.150 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001298986457 1064770199 /nfs/dbraw/zinc/77/01/99/1064770199.db2.gz XLZRMDBLESHNCG-SIKLNZKXSA-N 1 1 468.646 3.175 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001298987392 1064771477 /nfs/dbraw/zinc/77/14/77/1064771477.db2.gz ACPMVEMXNPWEKK-KKLQWCBXSA-N 1 1 481.670 3.227 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001299003288 1064782688 /nfs/dbraw/zinc/78/26/88/1064782688.db2.gz RYWTWHAMKKAFFX-BWAGFHJFSA-N 1 1 470.662 3.413 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)C(C)C)C1 ZINC001299008104 1064792000 /nfs/dbraw/zinc/79/20/00/1064792000.db2.gz WZVMICDUCRIIQS-NRFANRHFSA-N 1 1 463.424 3.010 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001299044481 1064837278 /nfs/dbraw/zinc/83/72/78/1064837278.db2.gz IQIDLKNORPMRJQ-KZTDQWPFSA-N 1 1 498.672 3.119 20 0 JGADMO CNC(=O)c1cccc(CCn2c(C3CCCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)c1 ZINC001299050288 1064840722 /nfs/dbraw/zinc/84/07/22/1064840722.db2.gz DETRUCWSPPURMA-UHFFFAOYSA-N 1 1 468.646 3.085 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+](C)C(C)C)C1 ZINC001299071426 1064871323 /nfs/dbraw/zinc/87/13/23/1064871323.db2.gz FDWKRQHBLFWCPM-CQSZACIVSA-N 1 1 469.453 3.072 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001299071898 1064871925 /nfs/dbraw/zinc/87/19/25/1064871925.db2.gz GXIXTKKLOHTCNF-FQEVSTJZSA-N 1 1 468.005 3.088 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCn2cc[nH+]c2C)C1 ZINC001299074008 1064877079 /nfs/dbraw/zinc/87/70/79/1064877079.db2.gz JPSOAJQSKAHWDB-KRWDZBQOSA-N 1 1 486.418 3.265 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299076103 1064882790 /nfs/dbraw/zinc/88/27/90/1064882790.db2.gz XVZBAPMMISKLKH-ROUUACIJSA-N 1 1 489.462 3.402 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299082792 1064886036 /nfs/dbraw/zinc/88/60/36/1064886036.db2.gz RLVWJUGYYLBHHK-UNMCSNQZSA-N 1 1 461.614 3.131 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299084393 1064888078 /nfs/dbraw/zinc/88/80/78/1064888078.db2.gz GRCQVOYGEFFKSC-CEXWTWQISA-N 1 1 474.600 3.230 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299089040 1064895178 /nfs/dbraw/zinc/89/51/78/1064895178.db2.gz VFRJDKGLVPOBOD-XJUOHMSHSA-N 1 1 482.673 3.028 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC001299090277 1064895884 /nfs/dbraw/zinc/89/58/84/1064895884.db2.gz WPDVYIQZNQNYAW-LJQANCHMSA-N 1 1 453.566 3.121 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001299093905 1064898760 /nfs/dbraw/zinc/89/87/60/1064898760.db2.gz ACVLOXUSZBPNLW-NRFANRHFSA-N 1 1 468.646 3.250 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299100473 1064906948 /nfs/dbraw/zinc/90/69/48/1064906948.db2.gz NXVXCGKJECKBII-DHIUTWEWSA-N 1 1 482.673 3.496 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2CCn2cc[nH+]c2C)C1 ZINC001299101446 1064908875 /nfs/dbraw/zinc/90/88/75/1064908875.db2.gz UBGXUKMOZZPYSM-LJQANCHMSA-N 1 1 453.616 3.046 20 0 JGADMO CNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001299103444 1064914012 /nfs/dbraw/zinc/91/40/12/1064914012.db2.gz YSOORVPYYNHJOU-QGZVFWFLSA-N 1 1 469.565 3.115 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001299108688 1064916102 /nfs/dbraw/zinc/91/61/02/1064916102.db2.gz FLGQJKURFVWYAO-QGZVFWFLSA-N 1 1 474.053 3.466 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001299112139 1064923217 /nfs/dbraw/zinc/92/32/17/1064923217.db2.gz ZRWKBQXQKLXQQW-QGZVFWFLSA-N 1 1 489.462 3.402 20 0 JGADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC001299120782 1064930450 /nfs/dbraw/zinc/93/04/50/1064930450.db2.gz LDACHNNOYJXYDD-UHFFFAOYSA-N 1 1 457.958 3.204 20 0 JGADMO COc1ccc(NC(=O)COc2ccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2OC)cc1 ZINC001299126913 1064933827 /nfs/dbraw/zinc/93/38/27/1064933827.db2.gz OZZRYYRHGVYBMK-SFHVURJKSA-N 1 1 455.555 3.183 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299129462 1064937552 /nfs/dbraw/zinc/93/75/52/1064937552.db2.gz VZAISUCXVONFBC-QPPBQGQZSA-N 1 1 498.672 3.251 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299129463 1064937619 /nfs/dbraw/zinc/93/76/19/1064937619.db2.gz VZAISUCXVONFBC-URXFXBBRSA-N 1 1 498.672 3.251 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCn2cc[nH+]c2C)CCO1 ZINC001299133438 1064941663 /nfs/dbraw/zinc/94/16/63/1064941663.db2.gz HRITZAMZZIOWNI-QFIPXVFZSA-N 1 1 479.629 3.179 20 0 JGADMO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299134118 1064942188 /nfs/dbraw/zinc/94/21/88/1064942188.db2.gz OEUYYHJIGPFKLH-OAQYLSRUSA-N 1 1 493.027 3.343 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001299750878 1064950712 /nfs/dbraw/zinc/95/07/12/1064950712.db2.gz PMTUUNIDLXVYSY-SBUREZEXSA-N 1 1 465.545 3.273 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001299750878 1064950729 /nfs/dbraw/zinc/95/07/29/1064950729.db2.gz PMTUUNIDLXVYSY-SBUREZEXSA-N 1 1 465.545 3.273 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001299755122 1064954511 /nfs/dbraw/zinc/95/45/11/1064954511.db2.gz QMOGVAUYPUIGDP-VWLOTQADSA-N 1 1 458.626 3.363 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001299755121 1064954591 /nfs/dbraw/zinc/95/45/91/1064954591.db2.gz QMOGVAUYPUIGDP-RUZDIDTESA-N 1 1 458.626 3.363 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001299763549 1064960369 /nfs/dbraw/zinc/96/03/69/1064960369.db2.gz MJIFAILVAJOJNW-JXALWOEJSA-N 1 1 481.707 3.086 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001299767655 1064964641 /nfs/dbraw/zinc/96/46/41/1064964641.db2.gz GIDPENJVAXPDHP-MUUNZHRXSA-N 1 1 497.732 3.236 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001299775112 1064976313 /nfs/dbraw/zinc/97/63/13/1064976313.db2.gz VFZOOCJBCCGMLY-IPVFLDMMSA-N 1 1 476.710 3.228 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299775112 1064976328 /nfs/dbraw/zinc/97/63/28/1064976328.db2.gz VFZOOCJBCCGMLY-IPVFLDMMSA-N 1 1 476.710 3.228 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299775112 1064976346 /nfs/dbraw/zinc/97/63/46/1064976346.db2.gz VFZOOCJBCCGMLY-IPVFLDMMSA-N 1 1 476.710 3.228 20 0 JGADMO COC1(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC001299786886 1064984933 /nfs/dbraw/zinc/98/49/33/1064984933.db2.gz SHJFOPXEBPNIPC-RTWAWAEBSA-N 1 1 460.667 3.466 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299787165 1064984975 /nfs/dbraw/zinc/98/49/75/1064984975.db2.gz XQXZLAZVTBFNQM-FQEVSTJZSA-N 1 1 464.010 3.092 20 0 JGADMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 ZINC001299788637 1064985649 /nfs/dbraw/zinc/98/56/49/1064985649.db2.gz AVCGZEHBORGSJJ-UHFFFAOYSA-N 1 1 459.612 3.042 20 0 JGADMO COC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)CCCCC1 ZINC001299795892 1064992306 /nfs/dbraw/zinc/99/23/06/1064992306.db2.gz RKKABLSFUCLAFE-UHFFFAOYSA-N 1 1 460.648 3.149 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@@H]2C)cc1OC ZINC001299824330 1065017852 /nfs/dbraw/zinc/01/78/52/1065017852.db2.gz GORONJHFEZEQRC-SFHVURJKSA-N 1 1 451.575 3.181 20 0 JGADMO O=C(c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2)N1CC[NH+](CCCF)CC1 ZINC001299828627 1065021252 /nfs/dbraw/zinc/02/12/52/1065021252.db2.gz ZICXIJIWNYZEPT-UHFFFAOYSA-N 1 1 452.324 3.333 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299843294 1065040584 /nfs/dbraw/zinc/04/05/84/1065040584.db2.gz IOEWHDOEEYHCHE-CEXWTWQISA-N 1 1 473.618 3.174 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C4CC4)O[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299843467 1065040914 /nfs/dbraw/zinc/04/09/14/1065040914.db2.gz JXAFOGBFVUTXNZ-JTSKRJEESA-N 1 1 473.618 3.315 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CC(F)(F)F)ccc1OC(C)C ZINC001299843582 1065041417 /nfs/dbraw/zinc/04/14/17/1065041417.db2.gz DZTSELBADUJWJC-SJLPKXTDSA-N 1 1 483.535 3.460 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC001299844053 1065042613 /nfs/dbraw/zinc/04/26/13/1065042613.db2.gz ISGJJTBAOHDFCX-OALUTQOASA-N 1 1 486.661 3.089 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299844053 1065042623 /nfs/dbraw/zinc/04/26/23/1065042623.db2.gz ISGJJTBAOHDFCX-OALUTQOASA-N 1 1 486.661 3.089 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299844053 1065042634 /nfs/dbraw/zinc/04/26/34/1065042634.db2.gz ISGJJTBAOHDFCX-OALUTQOASA-N 1 1 486.661 3.089 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCC[NH+]2CCOCC2)ccc1OC(C)C ZINC001299844461 1065042999 /nfs/dbraw/zinc/04/29/99/1065042999.db2.gz SBQCWBZLRIKTMZ-QHCPKHFHSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2CC[N@@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299847749 1065049758 /nfs/dbraw/zinc/04/97/58/1065049758.db2.gz COIVZNVFUHXGBT-QZTJIDSGSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2CC[N@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299847749 1065049766 /nfs/dbraw/zinc/04/97/66/1065049766.db2.gz COIVZNVFUHXGBT-QZTJIDSGSA-N 1 1 473.618 3.316 20 0 JGADMO C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@H](c2ccccc2)C1 ZINC001299849453 1065051789 /nfs/dbraw/zinc/05/17/89/1065051789.db2.gz UQFOMXCYUQYWNI-UIFIKXQLSA-N 1 1 456.384 3.264 20 0 JGADMO C[C@H](Sc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(=O)N1CCCC1 ZINC001299849558 1065052085 /nfs/dbraw/zinc/05/20/85/1065052085.db2.gz WZOQNPGWNLDLCL-DWLFOUALSA-N 1 1 452.624 3.260 20 0 JGADMO CCS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001299849985 1065052900 /nfs/dbraw/zinc/05/29/00/1065052900.db2.gz TZIVVCHSSIAAKM-APWZRJJASA-N 1 1 465.413 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC001299851190 1065056091 /nfs/dbraw/zinc/05/60/91/1065056091.db2.gz OWWWACUCODTCRU-IBGZPJMESA-N 1 1 486.661 3.233 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299851190 1065056101 /nfs/dbraw/zinc/05/61/01/1065056101.db2.gz OWWWACUCODTCRU-IBGZPJMESA-N 1 1 486.661 3.233 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299851190 1065056111 /nfs/dbraw/zinc/05/61/11/1065056111.db2.gz OWWWACUCODTCRU-IBGZPJMESA-N 1 1 486.661 3.233 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CCCO2)cc(OC)c1OC ZINC001299854208 1065061167 /nfs/dbraw/zinc/06/11/67/1065061167.db2.gz CEQVDEUDJRULLW-LJQANCHMSA-N 1 1 473.618 3.461 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+](C)C2CCCC2)ccc1OC(C)C ZINC001299854077 1065061329 /nfs/dbraw/zinc/06/13/29/1065061329.db2.gz ZYAMLSZTLOGZMN-FQEVSTJZSA-N 1 1 484.645 3.317 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CCCO2)cc(OC)c1OC ZINC001299854207 1065061378 /nfs/dbraw/zinc/06/13/78/1065061378.db2.gz CEQVDEUDJRULLW-IBGZPJMESA-N 1 1 473.618 3.461 20 0 JGADMO COc1cc(-c2nnc(N3CCCOCC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc(OC)c1OC ZINC001299854734 1065062894 /nfs/dbraw/zinc/06/28/94/1065062894.db2.gz MKCFIDNSCJZACS-NRFANRHFSA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOCC2(C)C)ccc1SC ZINC001299871770 1065090818 /nfs/dbraw/zinc/09/08/18/1065090818.db2.gz PDJHTEPAVJAMPD-UHFFFAOYSA-N 1 1 483.642 3.213 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3cnccn3)n2CC[N@H+]2CCOCC2(C)C)ccc1SC ZINC001299871770 1065090835 /nfs/dbraw/zinc/09/08/35/1065090835.db2.gz PDJHTEPAVJAMPD-UHFFFAOYSA-N 1 1 483.642 3.213 20 0 JGADMO COc1cc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1C ZINC001299887144 1065111736 /nfs/dbraw/zinc/11/17/36/1065111736.db2.gz HGTZAZCQNDKHRQ-OAQYLSRUSA-N 1 1 457.619 3.432 20 0 JGADMO COc1cc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1C ZINC001299887144 1065111738 /nfs/dbraw/zinc/11/17/38/1065111738.db2.gz HGTZAZCQNDKHRQ-OAQYLSRUSA-N 1 1 457.619 3.432 20 0 JGADMO COc1cc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC001299888785 1065115208 /nfs/dbraw/zinc/11/52/08/1065115208.db2.gz DIMFLWUTHSOUSJ-FUHIMQAGSA-N 1 1 494.036 3.394 20 0 JGADMO COc1cc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC001299888785 1065115215 /nfs/dbraw/zinc/11/52/15/1065115215.db2.gz DIMFLWUTHSOUSJ-FUHIMQAGSA-N 1 1 494.036 3.394 20 0 JGADMO COCC[N@H+]1[C@H](C)CN(C(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)C[C@@H]1C ZINC001299892883 1065121325 /nfs/dbraw/zinc/12/13/25/1065121325.db2.gz MERFYLROJSGYNU-CALCHBBNSA-N 1 1 456.612 3.455 20 0 JGADMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)C[C@@H]1C ZINC001299892883 1065121329 /nfs/dbraw/zinc/12/13/29/1065121329.db2.gz MERFYLROJSGYNU-CALCHBBNSA-N 1 1 456.612 3.455 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCOC3)CC2)cc(OC)c1 ZINC001299892809 1065121932 /nfs/dbraw/zinc/12/19/32/1065121932.db2.gz MYENHFVLFLXKFO-HXUWFJFHSA-N 1 1 457.619 3.243 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C)n3CCSCC(F)(F)F)CC2)cc(OC)c1 ZINC001299892785 1065121979 /nfs/dbraw/zinc/12/19/79/1065121979.db2.gz MJXFUPIRTIWTAA-UHFFFAOYSA-N 1 1 459.538 3.221 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)C)n3CCN(C)CC(F)(F)F)CC2)cc(OC)c1 ZINC001299892914 1065122039 /nfs/dbraw/zinc/12/20/39/1065122039.db2.gz OCRYFLILSUTTAO-UHFFFAOYSA-N 1 1 484.567 3.235 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001299895216 1065126506 /nfs/dbraw/zinc/12/65/06/1065126506.db2.gz NBUPQNKEOYPUFF-MJGOQNOKSA-N 1 1 496.077 3.351 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCCn1cc[nH+]c1C ZINC001299898036 1065132515 /nfs/dbraw/zinc/13/25/15/1065132515.db2.gz KESYIVHYUXDNCQ-MRXNPFEDSA-N 1 1 471.993 3.259 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC(N3CCNC3=O)CC2)n1CCC[N@@H+](C)C(C)C ZINC001299902821 1065139849 /nfs/dbraw/zinc/13/98/49/1065139849.db2.gz HPSKYLQGTOOIKS-UHFFFAOYSA-N 1 1 490.052 3.331 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001299903583 1065142479 /nfs/dbraw/zinc/14/24/79/1065142479.db2.gz GNYRGWDIAVKZIQ-QKKBWIMNSA-N 1 1 455.937 3.155 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC[N@@H+](C)C(C)C ZINC001299907616 1065149873 /nfs/dbraw/zinc/14/98/73/1065149873.db2.gz JFPGAYVNGNJQKG-UHFFFAOYSA-N 1 1 498.031 3.305 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001299907878 1065150533 /nfs/dbraw/zinc/15/05/33/1065150533.db2.gz NFAONFVTRUFTIF-QZTJIDSGSA-N 1 1 475.037 3.396 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001299907876 1065150616 /nfs/dbraw/zinc/15/06/16/1065150616.db2.gz NFAONFVTRUFTIF-MSOLQXFVSA-N 1 1 475.037 3.396 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC(=O)N(C)C ZINC001299909249 1065156231 /nfs/dbraw/zinc/15/62/31/1065156231.db2.gz RRMANLNPQNBCMP-UHFFFAOYSA-N 1 1 475.018 3.079 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](OC)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299913703 1065166070 /nfs/dbraw/zinc/16/60/70/1065166070.db2.gz VMTHURWVKAMXBG-SCTDSRPQSA-N 1 1 464.010 3.332 20 0 JGADMO COc1cc(N(C)c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC001299922021 1065174747 /nfs/dbraw/zinc/17/47/47/1065174747.db2.gz CWDGSRQZTOQKLW-QGZVFWFLSA-N 1 1 467.574 3.261 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001299929300 1065191543 /nfs/dbraw/zinc/19/15/43/1065191543.db2.gz DOOOJMZNNAHVER-UHFFFAOYSA-N 1 1 486.642 3.474 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC(F)(F)F)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299929099 1065191562 /nfs/dbraw/zinc/19/15/62/1065191562.db2.gz AYNYSRLRWRSJKU-UHFFFAOYSA-N 1 1 457.497 3.072 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC(F)(F)F)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299929099 1065191572 /nfs/dbraw/zinc/19/15/72/1065191572.db2.gz AYNYSRLRWRSJKU-UHFFFAOYSA-N 1 1 457.497 3.072 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2OCCC2(C)C)c1 ZINC001299932864 1065199200 /nfs/dbraw/zinc/19/92/00/1065199200.db2.gz YRUBFDUNWCBZBQ-YYDVJCTNSA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2OCCC2(C)C)c1 ZINC001299932864 1065199206 /nfs/dbraw/zinc/19/92/06/1065199206.db2.gz YRUBFDUNWCBZBQ-YYDVJCTNSA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(CO)CC3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001299938412 1065207560 /nfs/dbraw/zinc/20/75/60/1065207560.db2.gz PKNRXCLYYIMDRJ-LJQANCHMSA-N 1 1 457.619 3.436 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001299944107 1065215549 /nfs/dbraw/zinc/21/55/49/1065215549.db2.gz FJFWIJLAFBLGLB-OAQYLSRUSA-N 1 1 484.645 3.284 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](OC)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299946018 1065219682 /nfs/dbraw/zinc/21/96/82/1065219682.db2.gz XHMSMESILVAWGM-SVFBPWRDSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCO[C@H]2CCOC2)c1 ZINC001299946317 1065220887 /nfs/dbraw/zinc/22/08/87/1065220887.db2.gz ACAYZYNVAQUHRM-NRFANRHFSA-N 1 1 487.645 3.469 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC=C(C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001299946291 1065220929 /nfs/dbraw/zinc/22/09/29/1065220929.db2.gz ZJNXKABRJKVNMN-UHFFFAOYSA-N 1 1 454.619 3.145 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC=C(C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299946291 1065220942 /nfs/dbraw/zinc/22/09/42/1065220942.db2.gz ZJNXKABRJKVNMN-UHFFFAOYSA-N 1 1 454.619 3.145 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC=C(C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299946291 1065220950 /nfs/dbraw/zinc/22/09/50/1065220950.db2.gz ZJNXKABRJKVNMN-UHFFFAOYSA-N 1 1 454.619 3.145 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299946957 1065222554 /nfs/dbraw/zinc/22/25/54/1065222554.db2.gz UOBNIUOPDBIXEB-OALUTQOASA-N 1 1 484.645 3.175 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001299952164 1065230873 /nfs/dbraw/zinc/23/08/73/1065230873.db2.gz MFDDPULSGRBAOY-VQTJNVASSA-N 1 1 484.645 3.140 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001299957108 1065235500 /nfs/dbraw/zinc/23/55/00/1065235500.db2.gz HWXJZPVDXSLOPO-UWJYYQICSA-N 1 1 491.658 3.086 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001299957108 1065235515 /nfs/dbraw/zinc/23/55/15/1065235515.db2.gz HWXJZPVDXSLOPO-UWJYYQICSA-N 1 1 491.658 3.086 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001299958962 1065238190 /nfs/dbraw/zinc/23/81/90/1065238190.db2.gz WXLRRARMVFTRQA-OAQYLSRUSA-N 1 1 472.634 3.303 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001299968730 1065253704 /nfs/dbraw/zinc/25/37/04/1065253704.db2.gz JAFPAIGYCZPTHX-IRXDYDNUSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C)C3)n2CCn2cc[nH+]c2C)c1 ZINC001299974161 1065263458 /nfs/dbraw/zinc/26/34/58/1065263458.db2.gz QYFLHYGZEHRIEZ-CQSZACIVSA-N 1 1 461.364 3.146 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCCCSC)c1 ZINC001299974219 1065264009 /nfs/dbraw/zinc/26/40/09/1065264009.db2.gz SOMIEWCBNKHRGQ-INIZCTEOSA-N 1 1 496.475 3.380 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCCCSC)c1 ZINC001299974219 1065264018 /nfs/dbraw/zinc/26/40/18/1065264018.db2.gz SOMIEWCBNKHRGQ-INIZCTEOSA-N 1 1 496.475 3.380 20 0 JGADMO COc1ccc(Br)c(CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@@H+](C)C(C)C)c1 ZINC001299975686 1065270302 /nfs/dbraw/zinc/27/03/02/1065270302.db2.gz RRBOHLZZJDSGME-UHFFFAOYSA-N 1 1 481.439 3.164 20 0 JGADMO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC001299978456 1065274907 /nfs/dbraw/zinc/27/49/07/1065274907.db2.gz AOUVISORUASSRB-QUCCMNQESA-N 1 1 454.619 3.076 20 0 JGADMO COc1ccc(C(C)(C)Cn2c(C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1OC ZINC001299978919 1065276046 /nfs/dbraw/zinc/27/60/46/1065276046.db2.gz NWFFYGCYBFYKJF-UHFFFAOYSA-N 1 1 459.635 3.376 20 0 JGADMO COc1ccc([C@@H](C)N(C)c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001299982980 1065283723 /nfs/dbraw/zinc/28/37/23/1065283723.db2.gz CKMWESWWBIZSFE-HSALFYBXSA-N 1 1 465.602 3.440 20 0 JGADMO COc1ccc([C@@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001299986963 1065288527 /nfs/dbraw/zinc/28/85/27/1065288527.db2.gz NGPQINAOJVHOPW-JOCHJYFZSA-N 1 1 494.688 3.372 20 0 JGADMO COc1ccc([C@@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001299986963 1065288539 /nfs/dbraw/zinc/28/85/39/1065288539.db2.gz NGPQINAOJVHOPW-JOCHJYFZSA-N 1 1 494.688 3.372 20 0 JGADMO COc1ccc([C@@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001299986963 1065288551 /nfs/dbraw/zinc/28/85/51/1065288551.db2.gz NGPQINAOJVHOPW-JOCHJYFZSA-N 1 1 494.688 3.372 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCOC(C)(C)C)CC1 ZINC001299991104 1065295353 /nfs/dbraw/zinc/29/53/53/1065295353.db2.gz SGKSOSLBBCAUOT-UHFFFAOYSA-N 1 1 467.618 3.133 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC001299992570 1065299549 /nfs/dbraw/zinc/29/95/49/1065299549.db2.gz PCSGCNIZEFIWOP-WIYYLYMNSA-N 1 1 484.645 3.460 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2ccc(F)cn2)cc1OC ZINC001299997486 1065308157 /nfs/dbraw/zinc/30/81/57/1065308157.db2.gz KBYGDBWPUCNKCH-UHFFFAOYSA-N 1 1 498.603 3.339 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCOC3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001492211585 1065324329 /nfs/dbraw/zinc/32/43/29/1065324329.db2.gz OWJVXRQUHRTTJB-OAQYLSRUSA-N 1 1 458.626 3.140 20 0 JGADMO Cc1ccc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001492221880 1065328377 /nfs/dbraw/zinc/32/83/77/1065328377.db2.gz WDJKTHJVLDSNPW-DHLKQENFSA-N 1 1 457.619 3.242 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3nccs3)n2CC[NH+]2CCSCC2)cc1C ZINC001492238458 1065331235 /nfs/dbraw/zinc/33/12/35/1065331235.db2.gz QHHQGEYOSWSXCS-UHFFFAOYSA-N 1 1 471.656 3.289 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001492234304 1065334820 /nfs/dbraw/zinc/33/48/20/1065334820.db2.gz BPYVPFJPVJFABM-NQIIRXRSSA-N 1 1 483.661 3.228 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492237105 1065336770 /nfs/dbraw/zinc/33/67/70/1065336770.db2.gz GAIJVRGGXZFIFO-UHFFFAOYSA-N 1 1 453.635 3.019 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CCOCC1 ZINC001492241501 1065340715 /nfs/dbraw/zinc/34/07/15/1065340715.db2.gz XUSYZANXAPBGAP-UHFFFAOYSA-N 1 1 451.575 3.215 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2C[C@@H]2C)cc1C ZINC001492241535 1065340800 /nfs/dbraw/zinc/34/08/00/1065340800.db2.gz YBFIFMDJUZTKTQ-PMACEKPBSA-N 1 1 454.619 3.350 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2C[C@@H]2C)cc1C ZINC001492241535 1065340810 /nfs/dbraw/zinc/34/08/10/1065340810.db2.gz YBFIFMDJUZTKTQ-PMACEKPBSA-N 1 1 454.619 3.350 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOC(C)C)cc1C ZINC001492244428 1065343596 /nfs/dbraw/zinc/34/35/96/1065343596.db2.gz RVKAQOIUCOXTHV-FYYLOGMGSA-N 1 1 484.645 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001492248240 1065347161 /nfs/dbraw/zinc/34/71/61/1065347161.db2.gz QOHFSTMDTBYJOJ-RTWAWAEBSA-N 1 1 481.645 3.113 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492249845 1065349347 /nfs/dbraw/zinc/34/93/47/1065349347.db2.gz FKJUYDYGJHOOMK-UHFFFAOYSA-N 1 1 489.615 3.409 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2NC(=O)CC2(C)C)cc1C ZINC001492265370 1065357364 /nfs/dbraw/zinc/35/73/64/1065357364.db2.gz HKFJLDXTNPDOAK-OAQYLSRUSA-N 1 1 495.672 3.373 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1C ZINC001492266527 1065362446 /nfs/dbraw/zinc/36/24/46/1065362446.db2.gz NXFUMPFRDMKNDN-UHFFFAOYSA-N 1 1 481.645 3.080 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)cc1C ZINC001492268146 1065364287 /nfs/dbraw/zinc/36/42/87/1065364287.db2.gz SVWOCDUXUOBZSZ-WIYYLYMNSA-N 1 1 495.653 3.179 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492274105 1065368470 /nfs/dbraw/zinc/36/84/70/1065368470.db2.gz UPTFRLHOOAECNL-QHCPKHFHSA-N 1 1 497.688 3.034 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001492281301 1065374453 /nfs/dbraw/zinc/37/44/53/1065374453.db2.gz QLJQGPSDERUEAL-LJQANCHMSA-N 1 1 450.591 3.172 20 0 JGADMO Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC001492282382 1065375734 /nfs/dbraw/zinc/37/57/34/1065375734.db2.gz XMZXGFVELMIOJH-OYRHEFFESA-N 1 1 483.661 3.459 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492284081 1065377044 /nfs/dbraw/zinc/37/70/44/1065377044.db2.gz PYEQVGNERNOQSK-OAQYLSRUSA-N 1 1 481.645 3.018 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492287166 1065379890 /nfs/dbraw/zinc/37/98/90/1065379890.db2.gz NRXDUDIPCXONKO-BDTNDASRSA-N 1 1 484.645 3.055 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CC=CCO2)cc1C ZINC001492329357 1065399859 /nfs/dbraw/zinc/39/98/59/1065399859.db2.gz JVUHJGXQXOISLI-QHCPKHFHSA-N 1 1 469.630 3.366 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CC=CCO2)cc1C ZINC001492329357 1065399869 /nfs/dbraw/zinc/39/98/69/1065399869.db2.gz JVUHJGXQXOISLI-QHCPKHFHSA-N 1 1 469.630 3.366 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001492338866 1065406948 /nfs/dbraw/zinc/40/69/48/1065406948.db2.gz RUVIIVYOVOAGRB-BHIFYINESA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2COCCO2)cc1C ZINC001492353698 1065416425 /nfs/dbraw/zinc/41/64/25/1065416425.db2.gz IUWDYHGYOUPBGV-XMMPIXPASA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001492363362 1065424226 /nfs/dbraw/zinc/42/42/26/1065424226.db2.gz ISOPYLAJAHORDN-GGAORHGYSA-N 1 1 489.686 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492371385 1065435163 /nfs/dbraw/zinc/43/51/63/1065435163.db2.gz PZZXKMHLRXRBNX-FCHUYYIVSA-N 1 1 468.646 3.378 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001492372202 1065436607 /nfs/dbraw/zinc/43/66/07/1065436607.db2.gz XHWBEDCHIYXPGU-BWKNWUBXSA-N 1 1 457.619 3.016 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372417 1065438098 /nfs/dbraw/zinc/43/80/98/1065438098.db2.gz ZQZHCDZIGSIXPT-FGZHOGPDSA-N 1 1 489.686 3.301 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492376859 1065440029 /nfs/dbraw/zinc/44/00/29/1065440029.db2.gz GXPWDGVMBHISMO-VXKWHMMOSA-N 1 1 468.646 3.379 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1C ZINC001492377499 1065441587 /nfs/dbraw/zinc/44/15/87/1065441587.db2.gz QYLMWLGIUHPZLS-QHCPKHFHSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1C ZINC001492377499 1065441593 /nfs/dbraw/zinc/44/15/93/1065441593.db2.gz QYLMWLGIUHPZLS-QHCPKHFHSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCOCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492377855 1065442403 /nfs/dbraw/zinc/44/24/03/1065442403.db2.gz WZRCYFNKFAVNAU-QHCPKHFHSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001492384156 1065450381 /nfs/dbraw/zinc/45/03/81/1065450381.db2.gz DPOIWJZEHMIHSA-VXKWHMMOSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCC(C)(C)O)cc1 ZINC001492385665 1065453925 /nfs/dbraw/zinc/45/39/25/1065453925.db2.gz UGGCXDNYOUFMDW-HXUWFJFHSA-N 1 1 457.619 3.016 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCOCC(F)F)cc1 ZINC001492385968 1065454836 /nfs/dbraw/zinc/45/48/36/1065454836.db2.gz WGTPLQDRWUOPLJ-LJQANCHMSA-N 1 1 479.572 3.137 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001492393125 1065465185 /nfs/dbraw/zinc/46/51/85/1065465185.db2.gz KYAHSPPPVSNDJP-MJGOQNOKSA-N 1 1 453.509 3.417 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001492399486 1065468448 /nfs/dbraw/zinc/46/84/48/1065468448.db2.gz BATVWMJJQRTNTA-OAQYLSRUSA-N 1 1 459.660 3.102 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001492400992 1065469938 /nfs/dbraw/zinc/46/99/38/1065469938.db2.gz HDIFSFIRFMYTIK-FQEVSTJZSA-N 1 1 458.676 3.133 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492401014 1065470015 /nfs/dbraw/zinc/47/00/15/1065470015.db2.gz KUDNSERKCYDYTJ-NRFANRHFSA-N 1 1 459.660 3.246 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492403061 1065473447 /nfs/dbraw/zinc/47/34/47/1065473447.db2.gz ZOWPRTKEZHNUNT-GGAORHGYSA-N 1 1 468.646 3.167 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492419354 1065480450 /nfs/dbraw/zinc/48/04/50/1065480450.db2.gz XBNLLBCJTQFXGX-OAQYLSRUSA-N 1 1 454.619 3.070 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001492425211 1065484503 /nfs/dbraw/zinc/48/45/03/1065484503.db2.gz VOGWKOYNXJFZCS-FYYLOGMGSA-N 1 1 457.619 3.454 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(C)cc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001492446565 1065501158 /nfs/dbraw/zinc/50/11/58/1065501158.db2.gz PYTNEOFYFXLISX-UHFFFAOYSA-N 1 1 455.632 3.435 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CCOC2)cc1 ZINC001492448950 1065502366 /nfs/dbraw/zinc/50/23/66/1065502366.db2.gz NSRRXMAYDFWAAI-HXUWFJFHSA-N 1 1 459.660 3.462 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CCOC2)cc1 ZINC001492448950 1065502378 /nfs/dbraw/zinc/50/23/78/1065502378.db2.gz NSRRXMAYDFWAAI-HXUWFJFHSA-N 1 1 459.660 3.462 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(C)(C)O)cc1 ZINC001492452670 1065503429 /nfs/dbraw/zinc/50/34/29/1065503429.db2.gz IKKMXMOSSJSZDT-PZJWPPBQSA-N 1 1 459.660 3.197 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001492455907 1065505705 /nfs/dbraw/zinc/50/57/05/1065505705.db2.gz DWTSLLDWARCRAZ-UYAOXDASSA-N 1 1 456.660 3.311 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492456676 1065506849 /nfs/dbraw/zinc/50/68/49/1065506849.db2.gz RSUDCZXKZMSSCG-DFIYOIEZSA-N 1 1 486.686 3.080 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001492461704 1065510577 /nfs/dbraw/zinc/51/05/77/1065510577.db2.gz HJYFVDBHPNUYGF-OALUTQOASA-N 1 1 456.660 3.453 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(C)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001492462406 1065510825 /nfs/dbraw/zinc/51/08/25/1065510825.db2.gz OWOWANVKDHJZQJ-NRFANRHFSA-N 1 1 488.683 3.487 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001492468593 1065516939 /nfs/dbraw/zinc/51/69/39/1065516939.db2.gz IRULXTMUKANMIL-UHFFFAOYSA-N 1 1 474.656 3.099 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001300809604 1065540504 /nfs/dbraw/zinc/54/05/04/1065540504.db2.gz KKMVHTBYHWBUIZ-FTEYMNFISA-N 1 1 463.026 3.354 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1(C)C ZINC001300818047 1065546333 /nfs/dbraw/zinc/54/63/33/1065546333.db2.gz DCPWCVOXHYWNCO-GUDVDZBRSA-N 1 1 461.010 3.047 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[C@H]1C ZINC001300827303 1065556237 /nfs/dbraw/zinc/55/62/37/1065556237.db2.gz SAJLZEDDLAFXIV-SELNLUPBSA-N 1 1 477.600 3.365 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC001300837184 1065572960 /nfs/dbraw/zinc/57/29/60/1065572960.db2.gz BWXGGQZOONBAME-CTNGQTDRSA-N 1 1 478.037 3.219 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC001300839127 1065575204 /nfs/dbraw/zinc/57/52/04/1065575204.db2.gz BKHHLGGKKYVNNK-GGAORHGYSA-N 1 1 471.646 3.182 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1C ZINC001300840738 1065578342 /nfs/dbraw/zinc/57/83/42/1065578342.db2.gz WNHNZNFSPAHSMM-IRLDBZIGSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC[C@H]1C ZINC001300840738 1065578349 /nfs/dbraw/zinc/57/83/49/1065578349.db2.gz WNHNZNFSPAHSMM-IRLDBZIGSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1C ZINC001300840736 1065578464 /nfs/dbraw/zinc/57/84/64/1065578464.db2.gz WNHNZNFSPAHSMM-IFMALSPDSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC[C@H]1C ZINC001300840736 1065578472 /nfs/dbraw/zinc/57/84/72/1065578472.db2.gz WNHNZNFSPAHSMM-IFMALSPDSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCOCC2)CC1(C)C ZINC001300844147 1065584052 /nfs/dbraw/zinc/58/40/52/1065584052.db2.gz RGUNUTXBLCCDDU-QFIPXVFZSA-N 1 1 457.619 3.057 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC[C@H]1C ZINC001300845875 1065588482 /nfs/dbraw/zinc/58/84/82/1065588482.db2.gz YLQQXFIXNDNLNY-CQOQZXRMSA-N 1 1 471.646 3.303 20 0 JGADMO COCC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300882661 1065669094 /nfs/dbraw/zinc/66/90/94/1065669094.db2.gz LCUSPQIDYVDFGV-BGYRXZFFSA-N 1 1 486.636 3.136 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001300903022 1065700332 /nfs/dbraw/zinc/70/03/32/1065700332.db2.gz ANVQSFVWJZDUJO-SFHVURJKSA-N 1 1 475.037 3.062 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001300908433 1065707095 /nfs/dbraw/zinc/70/70/95/1065707095.db2.gz ZNTULHBWBAAOPK-LJQANCHMSA-N 1 1 460.667 3.178 20 0 JGADMO COCC(C)(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001300925509 1065723357 /nfs/dbraw/zinc/72/33/57/1065723357.db2.gz LRNZCEGDKZPBCU-HXUWFJFHSA-N 1 1 481.707 3.088 20 0 JGADMO COCC(C)(C)CCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300927283 1065726026 /nfs/dbraw/zinc/72/60/26/1065726026.db2.gz VEKAEPCJNWKKHE-WIYYLYMNSA-N 1 1 476.691 3.244 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001300934280 1065735376 /nfs/dbraw/zinc/73/53/76/1065735376.db2.gz NIJYMJCYGYSVPQ-LJQANCHMSA-N 1 1 487.645 3.324 20 0 JGADMO COCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001300938263 1065740194 /nfs/dbraw/zinc/74/01/94/1065740194.db2.gz OOFMEAOOBCOEJB-NRFANRHFSA-N 1 1 451.619 3.310 20 0 JGADMO COCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300949517 1065752432 /nfs/dbraw/zinc/75/24/32/1065752432.db2.gz OKZWYXWABIOXPF-UHFFFAOYSA-N 1 1 481.645 3.284 20 0 JGADMO COCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001300949943 1065752955 /nfs/dbraw/zinc/75/29/55/1065752955.db2.gz WJTAAZNNNYVDAF-OAQYLSRUSA-N 1 1 478.037 3.484 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001300961514 1065770162 /nfs/dbraw/zinc/77/01/62/1065770162.db2.gz LJNUESGRJVDTCL-UWVAXJGDSA-N 1 1 478.435 3.147 20 0 JGADMO COC[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001300969503 1065778384 /nfs/dbraw/zinc/77/83/84/1065778384.db2.gz WGQSUUGPBYQKKB-LJQANCHMSA-N 1 1 480.613 3.270 20 0 JGADMO COC[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300979073 1065789233 /nfs/dbraw/zinc/78/92/33/1065789233.db2.gz UIXYQDRUSTYCLB-XMMPIXPASA-N 1 1 497.732 3.236 20 0 JGADMO COC[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300979073 1065789242 /nfs/dbraw/zinc/78/92/42/1065789242.db2.gz UIXYQDRUSTYCLB-XMMPIXPASA-N 1 1 497.732 3.236 20 0 JGADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)CC1=O ZINC001300981661 1065793126 /nfs/dbraw/zinc/79/31/26/1065793126.db2.gz CUGKODOKKBXUPG-HZSPNIEDSA-N 1 1 458.347 3.237 20 0 JGADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)CC1=O ZINC001300981663 1065793290 /nfs/dbraw/zinc/79/32/90/1065793290.db2.gz CUGKODOKKBXUPG-MGPQQGTHSA-N 1 1 458.347 3.237 20 0 JGADMO COC[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301008460 1065838663 /nfs/dbraw/zinc/83/86/63/1065838663.db2.gz RIVLBTBULDAXJR-DYXWJJEUSA-N 1 1 476.666 3.348 20 0 JGADMO COC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)OC ZINC001301022318 1065857881 /nfs/dbraw/zinc/85/78/81/1065857881.db2.gz OHDZLVDHCYUAGI-AJSBUHFISA-N 1 1 473.618 3.073 20 0 JGADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001301031872 1065872052 /nfs/dbraw/zinc/87/20/52/1065872052.db2.gz NZDMWLSYCUGVGJ-PMACEKPBSA-N 1 1 454.546 3.469 20 0 JGADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001301031872 1065872070 /nfs/dbraw/zinc/87/20/70/1065872070.db2.gz NZDMWLSYCUGVGJ-PMACEKPBSA-N 1 1 454.546 3.469 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301045105 1065891437 /nfs/dbraw/zinc/89/14/37/1065891437.db2.gz QJRDQXRILXRZQC-QZTJIDSGSA-N 1 1 452.372 3.367 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301047240 1065894605 /nfs/dbraw/zinc/89/46/05/1065894605.db2.gz HYSUWRJJXQNJAE-ZIAGYGMSSA-N 1 1 458.401 3.428 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001301047774 1065895394 /nfs/dbraw/zinc/89/53/94/1065895394.db2.gz KGRBLJQFVRDGPC-HXUWFJFHSA-N 1 1 457.550 3.470 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301050583 1065898790 /nfs/dbraw/zinc/89/87/90/1065898790.db2.gz YLOYDYDKEMRPFK-KRWDZBQOSA-N 1 1 469.989 3.139 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301050583 1065898801 /nfs/dbraw/zinc/89/88/01/1065898801.db2.gz YLOYDYDKEMRPFK-KRWDZBQOSA-N 1 1 469.989 3.139 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301052348 1065901336 /nfs/dbraw/zinc/90/13/36/1065901336.db2.gz CIBGOIXDHDKFOL-UAGQMJEPSA-N 1 1 482.398 3.374 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001301053837 1065903432 /nfs/dbraw/zinc/90/34/32/1065903432.db2.gz RKSKOFWBVGKWJK-IEIRFRATSA-N 1 1 469.609 3.491 20 0 JGADMO COC[C@H](F)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001301070398 1065922465 /nfs/dbraw/zinc/92/24/65/1065922465.db2.gz UHJVWCNWQVOLQJ-LJQANCHMSA-N 1 1 494.606 3.126 20 0 JGADMO COCC1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301078773 1065929223 /nfs/dbraw/zinc/92/92/23/1065929223.db2.gz YIMMVGWGLFSGSM-VQTJNVASSA-N 1 1 469.634 3.299 20 0 JGADMO COC[C@H](F)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301082478 1065932340 /nfs/dbraw/zinc/93/23/40/1065932340.db2.gz ISPTUJNJKWMGPO-QKNQBKEWSA-N 1 1 463.623 3.020 20 0 JGADMO COCC1=CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301184138 1066013210 /nfs/dbraw/zinc/01/32/10/1066013210.db2.gz DOITXXGVOPBCEE-RDGATRHJSA-N 1 1 461.651 3.222 20 0 JGADMO COCC1=CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001301195910 1066022517 /nfs/dbraw/zinc/02/25/17/1066022517.db2.gz ZZLVADKNNSINRI-UHFFFAOYSA-N 1 1 473.065 3.331 20 0 JGADMO COCC1=CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301195910 1066022523 /nfs/dbraw/zinc/02/25/23/1066022523.db2.gz ZZLVADKNNSINRI-UHFFFAOYSA-N 1 1 473.065 3.331 20 0 JGADMO COCC1=CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301195910 1066022539 /nfs/dbraw/zinc/02/25/39/1066022539.db2.gz ZZLVADKNNSINRI-UHFFFAOYSA-N 1 1 473.065 3.331 20 0 JGADMO COCC1=CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301204016 1066027868 /nfs/dbraw/zinc/02/78/68/1066027868.db2.gz NCXVLLUWTGJVAR-BGYRXZFFSA-N 1 1 473.593 3.278 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301226955 1066046224 /nfs/dbraw/zinc/04/62/24/1066046224.db2.gz DXPBEKVBKPUDOR-GGAORHGYSA-N 1 1 468.646 3.288 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001301228683 1066047722 /nfs/dbraw/zinc/04/77/22/1066047722.db2.gz USBYJNPCIPHBLI-SFTDATJTSA-N 1 1 468.646 3.116 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001301241498 1066059565 /nfs/dbraw/zinc/05/95/65/1066059565.db2.gz YHPXSVWQOQIYCX-QHCPKHFHSA-N 1 1 484.689 3.480 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(C3CCCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301247207 1066063883 /nfs/dbraw/zinc/06/38/83/1066063883.db2.gz ZHXCVOWDBVKCQE-IRLDBZIGSA-N 1 1 460.667 3.131 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(C3CCCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301247209 1066063925 /nfs/dbraw/zinc/06/39/25/1066063925.db2.gz ZHXCVOWDBVKCQE-UNMCSNQZSA-N 1 1 460.667 3.131 20 0 JGADMO COC[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001301260574 1066074967 /nfs/dbraw/zinc/07/49/67/1066074967.db2.gz BNDZZIOGGDPUAM-QHAWAJNXSA-N 1 1 475.609 3.388 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001301262826 1066078041 /nfs/dbraw/zinc/07/80/41/1066078041.db2.gz IVSFEYPBOOFHOR-SFTDATJTSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001301262826 1066078054 /nfs/dbraw/zinc/07/80/54/1066078054.db2.gz IVSFEYPBOOFHOR-SFTDATJTSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301263069 1066078431 /nfs/dbraw/zinc/07/84/31/1066078431.db2.gz QNWNLCIGGGHOSS-SFTDATJTSA-N 1 1 487.645 3.326 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCOCC2)C1 ZINC001301266047 1066081632 /nfs/dbraw/zinc/08/16/32/1066081632.db2.gz OJBWBDJVTYKCDT-INIZCTEOSA-N 1 1 484.464 3.354 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301294259 1066099218 /nfs/dbraw/zinc/09/92/18/1066099218.db2.gz LNQZVAITPKSTHQ-HSALFYBXSA-N 1 1 457.619 3.314 20 0 JGADMO COCC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001301304270 1066108232 /nfs/dbraw/zinc/10/82/32/1066108232.db2.gz MTQLTVWYNOEAPI-UHFFFAOYSA-N 1 1 491.080 3.496 20 0 JGADMO COCC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301304270 1066108236 /nfs/dbraw/zinc/10/82/36/1066108236.db2.gz MTQLTVWYNOEAPI-UHFFFAOYSA-N 1 1 491.080 3.496 20 0 JGADMO COCC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301304270 1066108240 /nfs/dbraw/zinc/10/82/40/1066108240.db2.gz MTQLTVWYNOEAPI-UHFFFAOYSA-N 1 1 491.080 3.496 20 0 JGADMO COCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001301304465 1066108706 /nfs/dbraw/zinc/10/87/06/1066108706.db2.gz RMOFARWEYDKPKC-MRXNPFEDSA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301311389 1066112790 /nfs/dbraw/zinc/11/27/90/1066112790.db2.gz UDIZFFQLRZROJU-KRWDZBQOSA-N 1 1 478.435 3.291 20 0 JGADMO COCC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001301340022 1066129502 /nfs/dbraw/zinc/12/95/02/1066129502.db2.gz DVYMPZFZYNUNHI-UHFFFAOYSA-N 1 1 471.646 3.448 20 0 JGADMO COCC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001301340022 1066129511 /nfs/dbraw/zinc/12/95/11/1066129511.db2.gz DVYMPZFZYNUNHI-UHFFFAOYSA-N 1 1 471.646 3.448 20 0 JGADMO COC[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001301343877 1066135080 /nfs/dbraw/zinc/13/50/80/1066135080.db2.gz VNIPCQPMANUGFH-KRWDZBQOSA-N 1 1 484.428 3.359 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(COC)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001301344679 1066135963 /nfs/dbraw/zinc/13/59/63/1066135963.db2.gz PTOHDMYEBHGAMD-BVSLBCMMSA-N 1 1 463.667 3.375 20 0 JGADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cccn4ncc(Br)c34)C2)ccn1 ZINC001301364842 1066159881 /nfs/dbraw/zinc/15/98/81/1066159881.db2.gz ZBMXFLIAJKWDOS-KRWDZBQOSA-N 1 1 458.360 3.237 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H](C)O1 ZINC001301368142 1066162118 /nfs/dbraw/zinc/16/21/18/1066162118.db2.gz IBUNKYZGSOKPHY-GGPKGHCWSA-N 1 1 496.027 3.479 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC001301368952 1066163496 /nfs/dbraw/zinc/16/34/96/1066163496.db2.gz MYRBSIBYNOBKTR-RLLQIKCJSA-N 1 1 496.027 3.335 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001301369178 1066163821 /nfs/dbraw/zinc/16/38/21/1066163821.db2.gz OMDKSGLNWLSZMI-HBFSDRIKSA-N 1 1 463.026 3.498 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H](C)O1 ZINC001301377296 1066170877 /nfs/dbraw/zinc/17/08/77/1066170877.db2.gz XMILQRGERUGWGF-VIZSFHNOSA-N 1 1 457.619 3.314 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001301398008 1066179075 /nfs/dbraw/zinc/17/90/75/1066179075.db2.gz YFYSCYKDIDTWRB-RBBKRZOGSA-N 1 1 459.610 3.228 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301398107 1066179206 /nfs/dbraw/zinc/17/92/06/1066179206.db2.gz ZJKYFOXPBOSUDO-RZUBCFFCSA-N 1 1 459.610 3.228 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001301398494 1066179619 /nfs/dbraw/zinc/17/96/19/1066179619.db2.gz FUDLUBBVIDXUJR-DENIHFKCSA-N 1 1 455.628 3.303 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001301398497 1066179677 /nfs/dbraw/zinc/17/96/77/1066179677.db2.gz FUDLUBBVIDXUJR-UGKGYDQZSA-N 1 1 455.628 3.303 20 0 JGADMO COC[C@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001301402709 1066183642 /nfs/dbraw/zinc/18/36/42/1066183642.db2.gz KODKLJWTHSRYAI-HSZRJFAPSA-N 1 1 471.646 3.046 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301404449 1066186511 /nfs/dbraw/zinc/18/65/11/1066186511.db2.gz FFHGRXBIDGOOJJ-FGZHOGPDSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301405066 1066187559 /nfs/dbraw/zinc/18/75/59/1066187559.db2.gz IKCSEIBZYWPBLO-APTRMMRNSA-N 1 1 471.646 3.446 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301409519 1066195379 /nfs/dbraw/zinc/19/53/79/1066195379.db2.gz GTHZARJYMVDQRS-SIKLNZKXSA-N 1 1 475.609 3.358 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301418614 1066211080 /nfs/dbraw/zinc/21/10/80/1066211080.db2.gz XWVSMHRFOLERDI-ICSRJNTNSA-N 1 1 475.659 3.084 20 0 JGADMO COCCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001301423072 1066216635 /nfs/dbraw/zinc/21/66/35/1066216635.db2.gz AATVYQHVRZPMCB-NRFANRHFSA-N 1 1 489.064 3.404 20 0 JGADMO COCCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001301427830 1066224386 /nfs/dbraw/zinc/22/43/86/1066224386.db2.gz SEBDZTWYORVQFR-UHFFFAOYSA-N 1 1 484.693 3.435 20 0 JGADMO COCCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301430077 1066227836 /nfs/dbraw/zinc/22/78/36/1066227836.db2.gz MFAQNQMKEIYVHV-XMSQKQJNSA-N 1 1 477.600 3.367 20 0 JGADMO COCCC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301430223 1066228217 /nfs/dbraw/zinc/22/82/17/1066228217.db2.gz MMYZLSIUOJFJIM-NZQKXSOJSA-N 1 1 474.694 3.062 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001301945579 1066233289 /nfs/dbraw/zinc/23/32/89/1066233289.db2.gz YHJWNNONVWAFOG-QHCPKHFHSA-N 1 1 482.673 3.219 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301945965 1066236056 /nfs/dbraw/zinc/23/60/56/1066236056.db2.gz WSJZNIPUTZTKKP-XMMPIXPASA-N 1 1 496.681 3.390 20 0 JGADMO COCC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001301436568 1066237903 /nfs/dbraw/zinc/23/79/03/1066237903.db2.gz BJXXNISOUUCGHZ-IZZNHLLZSA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001301436568 1066237918 /nfs/dbraw/zinc/23/79/18/1066237918.db2.gz BJXXNISOUUCGHZ-IZZNHLLZSA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001301436566 1066238055 /nfs/dbraw/zinc/23/80/55/1066238055.db2.gz BJXXNISOUUCGHZ-CLJLJLNGSA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001301436566 1066238070 /nfs/dbraw/zinc/23/80/70/1066238070.db2.gz BJXXNISOUUCGHZ-CLJLJLNGSA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301437243 1066238794 /nfs/dbraw/zinc/23/87/94/1066238794.db2.gz FZPWBWMMULMWMZ-ZWWNWMABSA-N 1 1 496.425 3.307 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001301438567 1066241471 /nfs/dbraw/zinc/24/14/71/1066241471.db2.gz BLQDTTXAXRWYRM-CLOONOSVSA-N 1 1 453.587 3.345 20 0 JGADMO COCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001301440710 1066247347 /nfs/dbraw/zinc/24/73/47/1066247347.db2.gz LDJZBKYVLXQMJW-HSZRJFAPSA-N 1 1 465.042 3.338 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301951220 1066250548 /nfs/dbraw/zinc/25/05/48/1066250548.db2.gz YCHCIWLJSKPBEW-HXUWFJFHSA-N 1 1 460.667 3.179 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001301954704 1066257763 /nfs/dbraw/zinc/25/77/63/1066257763.db2.gz QGMMWGKOMLPSAD-UHFFFAOYSA-N 1 1 462.683 3.110 20 0 JGADMO COCC[C@@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001301450887 1066265317 /nfs/dbraw/zinc/26/53/17/1066265317.db2.gz NWXYDQGBPSEBFN-ZEQKJWHPSA-N 1 1 487.645 3.135 20 0 JGADMO COCCO[C@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301968284 1066273709 /nfs/dbraw/zinc/27/37/09/1066273709.db2.gz HAYYCQFPWJFALU-HXUWFJFHSA-N 1 1 479.666 3.246 20 0 JGADMO COCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301459418 1066278213 /nfs/dbraw/zinc/27/82/13/1066278213.db2.gz KNSZHQAEFSVTFF-HFZDXXHNSA-N 1 1 455.647 3.161 20 0 JGADMO COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001301460549 1066281690 /nfs/dbraw/zinc/28/16/90/1066281690.db2.gz VKQNISNIJHNEQJ-SYVJQLTCSA-N 1 1 487.693 3.018 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301990653 1066309542 /nfs/dbraw/zinc/30/95/42/1066309542.db2.gz SPNBWSIFZCLGJQ-IAGOWNOFSA-N 1 1 483.082 3.373 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001301991556 1066311619 /nfs/dbraw/zinc/31/16/19/1066311619.db2.gz OABZKBCUVMVOBG-SBHAEUEKSA-N 1 1 469.696 3.432 20 0 JGADMO Cc1sc2ncnc(SCC(=O)NC[C@H]3C[N@H+](C)CCN3Cc3ccccc3)c2c1C ZINC001301489083 1066311970 /nfs/dbraw/zinc/31/19/70/1066311970.db2.gz ONTSPTNPZJNSLY-IBGZPJMESA-N 1 1 455.653 3.333 20 0 JGADMO Cc1sc2ncnc(SCC(=O)NC[C@H]3C[N@@H+](C)CCN3Cc3ccccc3)c2c1C ZINC001301489083 1066311986 /nfs/dbraw/zinc/31/19/86/1066311986.db2.gz ONTSPTNPZJNSLY-IBGZPJMESA-N 1 1 455.653 3.333 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301992003 1066314394 /nfs/dbraw/zinc/31/43/94/1066314394.db2.gz WRKQLVGTYRKVAT-WVMSMMBLSA-N 1 1 493.693 3.144 20 0 JGADMO COCCc1noc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001301496612 1066323251 /nfs/dbraw/zinc/32/32/51/1066323251.db2.gz SMTWZBXKECIDMA-UHFFFAOYSA-N 1 1 457.966 3.069 20 0 JGADMO COCC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC001301498144 1066324447 /nfs/dbraw/zinc/32/44/47/1066324447.db2.gz CBMOYCJUVNEGIO-HXUWFJFHSA-N 1 1 468.646 3.116 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCOc1cc(C)cc(C)c1 ZINC001301996827 1066325083 /nfs/dbraw/zinc/32/50/83/1066325083.db2.gz AJXJFTKRDYRMJB-BHDDXSALSA-N 1 1 457.619 3.371 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCOc1cc(C)cc(C)c1 ZINC001301996826 1066325116 /nfs/dbraw/zinc/32/51/16/1066325116.db2.gz AJXJFTKRDYRMJB-BDTNDASRSA-N 1 1 457.619 3.371 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001301998168 1066328426 /nfs/dbraw/zinc/32/84/26/1066328426.db2.gz HOVQSPBGQHHUGV-KZNAEPCWSA-N 1 1 498.550 3.168 20 0 JGADMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 ZINC001301503482 1066329284 /nfs/dbraw/zinc/32/92/84/1066329284.db2.gz FPVHVYDCSGFCJD-IBGZPJMESA-N 1 1 451.608 3.045 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301999193 1066329963 /nfs/dbraw/zinc/32/99/63/1066329963.db2.gz AFDLRRMETNCHCU-RTBURBONSA-N 1 1 495.665 3.376 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301999193 1066329981 /nfs/dbraw/zinc/32/99/81/1066329981.db2.gz AFDLRRMETNCHCU-RTBURBONSA-N 1 1 495.665 3.376 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001301504789 1066331628 /nfs/dbraw/zinc/33/16/28/1066331628.db2.gz YAEDSULWCKRYFB-IBGZPJMESA-N 1 1 455.607 3.053 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001302000027 1066333773 /nfs/dbraw/zinc/33/37/73/1066333773.db2.gz DVTKNOLIFYAGAH-FGTMMUONSA-N 1 1 490.605 3.028 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301513290 1066341238 /nfs/dbraw/zinc/34/12/38/1066341238.db2.gz YCPFHFKDEGSRLC-GMAHTHKFSA-N 1 1 468.646 3.059 20 0 JGADMO COCC[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301522768 1066350117 /nfs/dbraw/zinc/35/01/17/1066350117.db2.gz DJXCMBICZLBHGV-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301522769 1066350185 /nfs/dbraw/zinc/35/01/85/1066350185.db2.gz DJXCMBICZLBHGV-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302009416 1066352199 /nfs/dbraw/zinc/35/21/99/1066352199.db2.gz VCGSAJKUCXUICF-VXKWHMMOSA-N 1 1 474.694 3.304 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302011106 1066354552 /nfs/dbraw/zinc/35/45/52/1066354552.db2.gz IIADPSJKUFZHPD-SLFFLAALSA-N 1 1 489.665 3.372 20 0 JGADMO COCCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001301528838 1066356691 /nfs/dbraw/zinc/35/66/91/1066356691.db2.gz WRWQYMRFUIIKFJ-UHFFFAOYSA-N 1 1 491.706 3.284 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1(O)CCCC1 ZINC001302015053 1066361754 /nfs/dbraw/zinc/36/17/54/1066361754.db2.gz RYXCRZMZLUIWRS-FGZHOGPDSA-N 1 1 471.646 3.408 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(Cl)cc1F ZINC001302015836 1066363724 /nfs/dbraw/zinc/36/37/24/1066363724.db2.gz VTBWAWAFOLTVMF-SBUREZEXSA-N 1 1 482.000 3.144 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(Cl)cc1F ZINC001302015825 1066363763 /nfs/dbraw/zinc/36/37/63/1066363763.db2.gz VTBWAWAFOLTVMF-GAJHUEQPSA-N 1 1 482.000 3.144 20 0 JGADMO CC(C)(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001302016799 1066366228 /nfs/dbraw/zinc/36/62/28/1066366228.db2.gz SLQVIRYSGGQVLV-DEOSSOPVSA-N 1 1 475.037 3.062 20 0 JGADMO COCCCCCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001301539158 1066366809 /nfs/dbraw/zinc/36/68/09/1066366809.db2.gz GAUFNWIOHZHDJD-OFNKIYASSA-N 1 1 460.667 3.131 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)c1cccs1 ZINC001302017442 1066367822 /nfs/dbraw/zinc/36/78/22/1066367822.db2.gz YYUPRJRPRWWGEW-DVECYGJZSA-N 1 1 477.675 3.342 20 0 JGADMO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001302017787 1066368251 /nfs/dbraw/zinc/36/82/51/1066368251.db2.gz OLPLIQHYSXGBTA-UNMCSNQZSA-N 1 1 474.694 3.161 20 0 JGADMO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001302017784 1066368432 /nfs/dbraw/zinc/36/84/32/1066368432.db2.gz OLPLIQHYSXGBTA-IFMALSPDSA-N 1 1 474.694 3.161 20 0 JGADMO COCCCCCn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001301549790 1066377464 /nfs/dbraw/zinc/37/74/64/1066377464.db2.gz IAOFHPUODBAZAK-DEOSSOPVSA-N 1 1 451.656 3.446 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@H]1CC1(C)C ZINC001302023424 1066378906 /nfs/dbraw/zinc/37/89/06/1066378906.db2.gz GNEKPLRTODMMGA-NHCUHLMSSA-N 1 1 462.683 3.043 20 0 JGADMO COCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001301552581 1066380747 /nfs/dbraw/zinc/38/07/47/1066380747.db2.gz YUOXGYSTZOVAFE-GOSISDBHSA-N 1 1 478.435 3.293 20 0 JGADMO COCCCCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301563287 1066388094 /nfs/dbraw/zinc/38/80/94/1066388094.db2.gz OFTXRXORZHRMJZ-UHFFFAOYSA-N 1 1 467.618 3.053 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001302028250 1066390999 /nfs/dbraw/zinc/39/09/99/1066390999.db2.gz GSJOFCWPZSXCQV-ATIYNZHBSA-N 1 1 470.662 3.142 20 0 JGADMO CC(C)(C)c1ccc(OCc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CC(F)(F)F)cc1 ZINC001302033054 1066401569 /nfs/dbraw/zinc/40/15/69/1066401569.db2.gz BAOFABLVZMJUJW-KRWDZBQOSA-N 1 1 453.509 3.238 20 0 JGADMO CC(C)(C)c1ccc(OCc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CC(F)(F)F)cc1 ZINC001302033054 1066401581 /nfs/dbraw/zinc/40/15/81/1066401581.db2.gz BAOFABLVZMJUJW-KRWDZBQOSA-N 1 1 453.509 3.238 20 0 JGADMO CC(C)(C)c1ccc(OCc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CC(F)(F)F)cc1 ZINC001302033056 1066401822 /nfs/dbraw/zinc/40/18/22/1066401822.db2.gz BAOFABLVZMJUJW-QGZVFWFLSA-N 1 1 453.509 3.238 20 0 JGADMO CC(C)(C)c1ccc(OCc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CC(F)(F)F)cc1 ZINC001302033056 1066401833 /nfs/dbraw/zinc/40/18/33/1066401833.db2.gz BAOFABLVZMJUJW-QGZVFWFLSA-N 1 1 453.509 3.238 20 0 JGADMO COCCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001301582467 1066418050 /nfs/dbraw/zinc/41/80/50/1066418050.db2.gz SPOYSNNFPHIXIO-UHFFFAOYSA-N 1 1 454.663 3.247 20 0 JGADMO COCCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001301582467 1066418069 /nfs/dbraw/zinc/41/80/69/1066418069.db2.gz SPOYSNNFPHIXIO-UHFFFAOYSA-N 1 1 454.663 3.247 20 0 JGADMO COCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001301582575 1066418708 /nfs/dbraw/zinc/41/87/08/1066418708.db2.gz SVGVBKSPRDRBAD-INIZCTEOSA-N 1 1 453.429 3.251 20 0 JGADMO COCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001301589980 1066427861 /nfs/dbraw/zinc/42/78/61/1066427861.db2.gz BLYSAVSKPQUHTC-KRWDZBQOSA-N 1 1 466.424 3.209 20 0 JGADMO COCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001301589980 1066427871 /nfs/dbraw/zinc/42/78/71/1066427871.db2.gz BLYSAVSKPQUHTC-KRWDZBQOSA-N 1 1 466.424 3.209 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302052952 1066443064 /nfs/dbraw/zinc/44/30/64/1066443064.db2.gz GQMLFAXGONEXHY-KCZVDYSFSA-N 1 1 490.693 3.150 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302052954 1066443106 /nfs/dbraw/zinc/44/31/06/1066443106.db2.gz GQMLFAXGONEXHY-SJBKTWHCSA-N 1 1 490.693 3.150 20 0 JGADMO COCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001301601505 1066445342 /nfs/dbraw/zinc/44/53/42/1066445342.db2.gz CJONAGGZSSFFHS-RTWAWAEBSA-N 1 1 492.665 3.076 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001301606746 1066452569 /nfs/dbraw/zinc/45/25/69/1066452569.db2.gz DALMKSHBTDCPAM-UZUQRXQVSA-N 1 1 482.000 3.090 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCCOCC1 ZINC001301606866 1066452951 /nfs/dbraw/zinc/45/29/51/1066452951.db2.gz FCIIIZRWEUYDRG-UHFFFAOYSA-N 1 1 470.387 3.042 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1cnn(C)c1C ZINC001302057276 1066454137 /nfs/dbraw/zinc/45/41/37/1066454137.db2.gz XTYLGALZNGAJCE-FCEUIQTBSA-N 1 1 473.666 3.183 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 ZINC001301608210 1066455260 /nfs/dbraw/zinc/45/52/60/1066455260.db2.gz XPHCIAGRHVIYIY-DEOSSOPVSA-N 1 1 488.995 3.199 20 0 JGADMO COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCC2)CC1 ZINC001301607722 1066455273 /nfs/dbraw/zinc/45/52/73/1066455273.db2.gz PMXQUJTXVBIYFL-UHFFFAOYSA-N 1 1 465.017 3.380 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCC2)CC1 ZINC001301607722 1066455275 /nfs/dbraw/zinc/45/52/75/1066455275.db2.gz PMXQUJTXVBIYFL-UHFFFAOYSA-N 1 1 465.017 3.380 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001301608619 1066455687 /nfs/dbraw/zinc/45/56/87/1066455687.db2.gz AYWHMWNNKBJQIS-UHFFFAOYSA-N 1 1 475.638 3.125 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001301608890 1066456422 /nfs/dbraw/zinc/45/64/22/1066456422.db2.gz DDHPTIHTSFRHHR-UHFFFAOYSA-N 1 1 458.010 3.222 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001301610145 1066457516 /nfs/dbraw/zinc/45/75/16/1066457516.db2.gz NQZVYZZLZZTKGG-UHFFFAOYSA-N 1 1 481.445 3.025 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301610138 1066457573 /nfs/dbraw/zinc/45/75/73/1066457573.db2.gz NOWFSJPTHPWQDP-FQEVSTJZSA-N 1 1 487.649 3.062 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001301610710 1066458258 /nfs/dbraw/zinc/45/82/58/1066458258.db2.gz TYWJAMYEABKXRK-LJQANCHMSA-N 1 1 497.644 3.346 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001301612405 1066459983 /nfs/dbraw/zinc/45/99/83/1066459983.db2.gz CEMCVNFDRBWUIR-PGRDOPGGSA-N 1 1 463.573 3.121 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302063208 1066461151 /nfs/dbraw/zinc/46/11/51/1066461151.db2.gz FLDKZAAMQRWDKY-QFIPXVFZSA-N 1 1 489.709 3.023 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001301612964 1066461754 /nfs/dbraw/zinc/46/17/54/1066461754.db2.gz HPULVOKSQWERBX-NJYVYQBISA-N 1 1 494.681 3.037 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001301613017 1066461897 /nfs/dbraw/zinc/46/18/97/1066461897.db2.gz IITDQLUQGPESCN-NRFANRHFSA-N 1 1 478.588 3.093 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001301612960 1066461916 /nfs/dbraw/zinc/46/19/16/1066461916.db2.gz HPULVOKSQWERBX-HBMCJLEFSA-N 1 1 494.681 3.037 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 ZINC001301614140 1066463987 /nfs/dbraw/zinc/46/39/87/1066463987.db2.gz VKEIYAVIYPZNTN-UHFFFAOYSA-N 1 1 459.610 3.373 20 0 JGADMO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](O)C1 ZINC001301613931 1066464005 /nfs/dbraw/zinc/46/40/05/1066464005.db2.gz DSIGPJKKGHLYAW-ZRBLBEILSA-N 1 1 471.573 3.123 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301614195 1066464444 /nfs/dbraw/zinc/46/44/44/1066464444.db2.gz WJWHQXFLPXWZCQ-RBBKRZOGSA-N 1 1 478.037 3.372 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001301616904 1066466923 /nfs/dbraw/zinc/46/69/23/1066466923.db2.gz FBMJRNXUBOJKJW-MHTWAQMVSA-N 1 1 478.682 3.499 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001301616903 1066466965 /nfs/dbraw/zinc/46/69/65/1066466965.db2.gz FBMJRNXUBOJKJW-JSXRDJHFSA-N 1 1 478.682 3.499 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1 ZINC001301617197 1066468166 /nfs/dbraw/zinc/46/81/66/1066468166.db2.gz HKWMQTGPKFZVAK-KDURUIRLSA-N 1 1 496.722 3.349 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001302066821 1066468719 /nfs/dbraw/zinc/46/87/19/1066468719.db2.gz GRWPSJCHFIBQTE-CZSZKKDXSA-N 1 1 479.666 3.041 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001301617920 1066469304 /nfs/dbraw/zinc/46/93/04/1066469304.db2.gz LCAXITJONXUXLF-BDKRGJGYSA-N 1 1 463.667 3.169 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001301618536 1066471343 /nfs/dbraw/zinc/47/13/43/1066471343.db2.gz PGZVJFYKZARRIY-FGYAAKKASA-N 1 1 496.722 3.347 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCN1CCCCCC1=O ZINC001302068531 1066471768 /nfs/dbraw/zinc/47/17/68/1066471768.db2.gz PXECEDVNBBPVKS-NRFANRHFSA-N 1 1 478.682 3.105 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001301619297 1066473122 /nfs/dbraw/zinc/47/31/22/1066473122.db2.gz XQIPFKZTZKOQAM-UHFFFAOYSA-N 1 1 479.551 3.264 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001301619476 1066473821 /nfs/dbraw/zinc/47/38/21/1066473821.db2.gz ZJLJGBTZBGXDLY-YTFSRNRJSA-N 1 1 477.694 3.418 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001301619472 1066473906 /nfs/dbraw/zinc/47/39/06/1066473906.db2.gz ZJLJGBTZBGXDLY-DNVJHFABSA-N 1 1 477.694 3.418 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001302071328 1066479369 /nfs/dbraw/zinc/47/93/69/1066479369.db2.gz HVMTUQFQEHWLIP-PCCBWWKXSA-N 1 1 494.681 3.228 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302073780 1066485842 /nfs/dbraw/zinc/48/58/42/1066485842.db2.gz WIBVMCKHEKIKDD-QHAWAJNXSA-N 1 1 491.706 3.296 20 0 JGADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001301628894 1066488736 /nfs/dbraw/zinc/48/87/36/1066488736.db2.gz WKFAIFFHXNNCCE-RVQWUSFHSA-N 1 1 471.671 3.452 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(c3cccc(C)c3C)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302083103 1066504219 /nfs/dbraw/zinc/50/42/19/1066504219.db2.gz UJGSRHLWHQGPBG-JTHBVZDNSA-N 1 1 470.662 3.430 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302083714 1066505891 /nfs/dbraw/zinc/50/58/91/1066505891.db2.gz IWBLXTGIYLTAPR-NHCUHLMSSA-N 1 1 491.706 3.214 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302084181 1066506934 /nfs/dbraw/zinc/50/69/34/1066506934.db2.gz YXWYEZLOKQZKMO-FCHUYYIVSA-N 1 1 456.635 3.121 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CC[N@H+](C)C(C)C)C1 ZINC001301648055 1066512663 /nfs/dbraw/zinc/51/26/63/1066512663.db2.gz LJMUDRMTUFBVKN-NRFANRHFSA-N 1 1 463.630 3.447 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001302088690 1066514378 /nfs/dbraw/zinc/51/43/78/1066514378.db2.gz FXFWVCYCWOPHGH-RBUKOAKNSA-N 1 1 492.690 3.105 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001302088688 1066514561 /nfs/dbraw/zinc/51/45/61/1066514561.db2.gz FXFWVCYCWOPHGH-MOPGFXCFSA-N 1 1 492.690 3.105 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001302089718 1066516764 /nfs/dbraw/zinc/51/67/64/1066516764.db2.gz QNQXHECKBMKWTF-HKUYNNGSSA-N 1 1 482.000 3.144 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001301650598 1066517406 /nfs/dbraw/zinc/51/74/06/1066517406.db2.gz BNGBMGALNNHYQZ-OAQYLSRUSA-N 1 1 453.635 3.218 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001301650978 1066517802 /nfs/dbraw/zinc/51/78/02/1066517802.db2.gz FQUOLMQBWDXLDM-JOCHJYFZSA-N 1 1 482.673 3.270 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCCOC1 ZINC001302090443 1066517898 /nfs/dbraw/zinc/51/78/98/1066517898.db2.gz VHAKELVAQPLGGT-QZNHQXDQSA-N 1 1 457.619 3.139 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302090812 1066518103 /nfs/dbraw/zinc/51/81/03/1066518103.db2.gz HAXHQBUTJHOXHM-HZPDHXFCSA-N 1 1 488.580 3.395 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302093911 1066522429 /nfs/dbraw/zinc/52/24/29/1066522429.db2.gz XZGWFWBDYRHXTG-SJLPKXTDSA-N 1 1 499.582 3.358 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C/C=C\c1ccccc1 ZINC001302094861 1066523683 /nfs/dbraw/zinc/52/36/83/1066523683.db2.gz SLVZIVSRPDYOEL-YASLREEFSA-N 1 1 469.630 3.405 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C/C=C/c1ccccc1 ZINC001302094858 1066523810 /nfs/dbraw/zinc/52/38/10/1066523810.db2.gz SLVZIVSRPDYOEL-ALQXMYAYSA-N 1 1 469.630 3.405 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCCCS1 ZINC001302095390 1066525138 /nfs/dbraw/zinc/52/51/38/1066525138.db2.gz JJIDTHFZRLJVDY-UNMCSNQZSA-N 1 1 473.687 3.423 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1Cc1ccncc1Cl ZINC001302095459 1066525221 /nfs/dbraw/zinc/52/52/21/1066525221.db2.gz KFZPSEDWSJMBHG-HXUWFJFHSA-N 1 1 485.032 3.234 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302096483 1066526984 /nfs/dbraw/zinc/52/69/84/1066526984.db2.gz HLLMWDBDSPJLBE-OTPAQWSUSA-N 1 1 481.682 3.000 20 0 JGADMO COCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301658416 1066527501 /nfs/dbraw/zinc/52/75/01/1066527501.db2.gz YDJHYRBGDLWQIV-BGYRXZFFSA-N 1 1 490.674 3.469 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301661574 1066532848 /nfs/dbraw/zinc/53/28/48/1066532848.db2.gz SUSJSUDDGPMMPZ-VXKWHMMOSA-N 1 1 482.673 3.435 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3nccs3)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302104531 1066538870 /nfs/dbraw/zinc/53/88/70/1066538870.db2.gz DAYNXAIPUUNJOD-NMLBUPMWSA-N 1 1 478.663 3.157 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302106058 1066540869 /nfs/dbraw/zinc/54/08/69/1066540869.db2.gz UYWFKHSOHCCAPL-GOTSBHOMSA-N 1 1 493.693 3.289 20 0 JGADMO CC(C)(C)c1cc(Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)on1 ZINC001302107963 1066544119 /nfs/dbraw/zinc/54/41/19/1066544119.db2.gz JUSCDESIDKCVNJ-UHFFFAOYSA-N 1 1 457.623 3.045 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302109033 1066547057 /nfs/dbraw/zinc/54/70/57/1066547057.db2.gz SUKFNDGRBFEDKW-KNQAVFIVSA-N 1 1 476.021 3.495 20 0 JGADMO COCCCOC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301672806 1066550981 /nfs/dbraw/zinc/55/09/81/1066550981.db2.gz FDPNDSKGVMHFPO-NRFANRHFSA-N 1 1 490.693 3.047 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCSC3(CCCCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302111817 1066551868 /nfs/dbraw/zinc/55/18/68/1066551868.db2.gz MQYYHRJJKZSDDN-NRFANRHFSA-N 1 1 494.750 3.284 20 0 JGADMO COCCCOc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001301674453 1066554720 /nfs/dbraw/zinc/55/47/20/1066554720.db2.gz MBRXWJWXBQRTLX-QFIPXVFZSA-N 1 1 457.619 3.166 20 0 JGADMO CC(=O)N1CCC[C@H](Cn2c(-c3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001301684418 1066567609 /nfs/dbraw/zinc/56/76/09/1066567609.db2.gz ZLKHFVWUXKHPSD-QFIPXVFZSA-N 1 1 453.635 3.155 20 0 JGADMO CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001301685994 1066569698 /nfs/dbraw/zinc/56/96/98/1066569698.db2.gz BJYDSJORWGIUPW-QHCPKHFHSA-N 1 1 468.646 3.345 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001302133552 1066579281 /nfs/dbraw/zinc/57/92/81/1066579281.db2.gz PHCVQJBJKSFOBT-IZZNHLLZSA-N 1 1 455.647 3.466 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302141260 1066588843 /nfs/dbraw/zinc/58/88/43/1066588843.db2.gz KXLDKNUDXCFNHZ-PMACEKPBSA-N 1 1 478.682 3.207 20 0 JGADMO COCCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302142496 1066591647 /nfs/dbraw/zinc/59/16/47/1066591647.db2.gz YZIKVGFARSWWMK-NRFANRHFSA-N 1 1 471.646 3.099 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccs3)C[C@H]2C)CC1 ZINC001301707061 1066596707 /nfs/dbraw/zinc/59/67/07/1066596707.db2.gz AYURTEOKLHBSHG-NQIIRXRSSA-N 1 1 458.676 3.259 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C)cc3C)C[C@H]2C)CC1 ZINC001301707299 1066597626 /nfs/dbraw/zinc/59/76/26/1066597626.db2.gz BSPIMKGJEPVBJW-QPPBQGQZSA-N 1 1 452.647 3.446 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC(=O)Nc3c(C)cccc3C)C[C@@H]2C)CC1 ZINC001301707264 1066597720 /nfs/dbraw/zinc/59/77/20/1066597720.db2.gz BHKPKTKVWUXCNS-JTHBVZDNSA-N 1 1 495.672 3.036 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)Oc3ccccc3)C[C@H]2C)CC1 ZINC001301707656 1066598284 /nfs/dbraw/zinc/59/82/84/1066598284.db2.gz DZDPSWSYWCDFDB-OTNCWRBYSA-N 1 1 482.673 3.323 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001301708193 1066599485 /nfs/dbraw/zinc/59/94/85/1066599485.db2.gz JIXVPIISZWBDJJ-OFNKIYASSA-N 1 1 469.678 3.489 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CC(C)(C)c3ccccc3F)C[C@H]2C)CC1 ZINC001301708273 1066599866 /nfs/dbraw/zinc/59/98/66/1066599866.db2.gz KPAXBXMSARKVFR-JPYJTQIMSA-N 1 1 456.610 3.082 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)Oc3ccccc3F)C[C@H]2C)CC1 ZINC001301708287 1066600088 /nfs/dbraw/zinc/60/00/88/1066600088.db2.gz KTWABRMWDZVYRF-ZRCGQRJVSA-N 1 1 486.636 3.387 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccc4C)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301708408 1066600790 /nfs/dbraw/zinc/60/07/90/1066600790.db2.gz MNHNLIFFYNHLEH-DHLKQENFSA-N 1 1 482.673 3.448 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001302150089 1066600991 /nfs/dbraw/zinc/60/09/91/1066600991.db2.gz CSFFEUJNBKXRCB-RBBKRZOGSA-N 1 1 456.635 3.482 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)c3ccccn3)C[C@H]2C)CC1 ZINC001301708498 1066601308 /nfs/dbraw/zinc/60/13/08/1066601308.db2.gz OBYVNNVQYIWVKQ-FYYLOGMGSA-N 1 1 481.689 3.228 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)c3ccccn3)C[C@@H]2C)CC1 ZINC001301708501 1066601366 /nfs/dbraw/zinc/60/13/66/1066601366.db2.gz OBYVNNVQYIWVKQ-JTHBVZDNSA-N 1 1 481.689 3.228 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301708523 1066601380 /nfs/dbraw/zinc/60/13/80/1066601380.db2.gz OLOBEHRLVQDUTA-MISYRCLQSA-N 1 1 486.583 3.241 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(F)c3)C[C@@H]2C)CC1 ZINC001301709353 1066602665 /nfs/dbraw/zinc/60/26/65/1066602665.db2.gz UDPPRMWERCTHST-AVRDEDQJSA-N 1 1 456.610 3.142 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001301710161 1066604156 /nfs/dbraw/zinc/60/41/56/1066604156.db2.gz DFVJRSXYHZEBBH-GMAHTHKFSA-N 1 1 484.645 3.121 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001301712334 1066608009 /nfs/dbraw/zinc/60/80/09/1066608009.db2.gz CMIKAAWGCSTXCV-PMACEKPBSA-N 1 1 452.603 3.384 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301712986 1066609797 /nfs/dbraw/zinc/60/97/97/1066609797.db2.gz LBPADMOUTLMREH-TZIWHRDSSA-N 1 1 454.619 3.188 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301712982 1066609898 /nfs/dbraw/zinc/60/98/98/1066609898.db2.gz LBPADMOUTLMREH-FPOVZHCZSA-N 1 1 454.619 3.188 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001301713699 1066612876 /nfs/dbraw/zinc/61/28/76/1066612876.db2.gz MTYOANGGDXHZKC-SFHVURJKSA-N 1 1 492.049 3.305 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302157639 1066613684 /nfs/dbraw/zinc/61/36/84/1066613684.db2.gz RWFOAUOOUKDRTA-LJQANCHMSA-N 1 1 461.557 3.041 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCS(=O)CC1 ZINC001301713945 1066614207 /nfs/dbraw/zinc/61/42/07/1066614207.db2.gz OZPZJJRHWGQNSX-UHFFFAOYSA-N 1 1 491.658 3.350 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001301714814 1066616544 /nfs/dbraw/zinc/61/65/44/1066616544.db2.gz YURRPOBFXCXADQ-FQEVSTJZSA-N 1 1 483.480 3.337 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C(C)C)C1 ZINC001301715080 1066617367 /nfs/dbraw/zinc/61/73/67/1066617367.db2.gz BCKJIBVCKMGMJW-QFIPXVFZSA-N 1 1 475.659 3.262 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301716104 1066618155 /nfs/dbraw/zinc/61/81/55/1066618155.db2.gz JPPOBOGDPMDORS-HXUWFJFHSA-N 1 1 487.649 3.110 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc3cccnc32)nnc1N1CCOC(C)(C)[C@H]1C ZINC001301717632 1066619393 /nfs/dbraw/zinc/61/93/93/1066619393.db2.gz SKHOPDWYLZKCAF-LJQANCHMSA-N 1 1 452.603 3.465 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc3cccnc32)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001301717631 1066619477 /nfs/dbraw/zinc/61/94/77/1066619477.db2.gz SKHOPDWYLZKCAF-IBGZPJMESA-N 1 1 452.603 3.465 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001301718184 1066620821 /nfs/dbraw/zinc/62/08/21/1066620821.db2.gz DELXCHXLTAMELE-AREMUKBSSA-N 1 1 497.644 3.204 20 0 JGADMO COCC[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001301719276 1066621324 /nfs/dbraw/zinc/62/13/24/1066621324.db2.gz PFGGVIILTGIBOS-GOSISDBHSA-N 1 1 450.653 3.178 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301720249 1066622577 /nfs/dbraw/zinc/62/25/77/1066622577.db2.gz ARKFUFDMTVWTPF-QGZVFWFLSA-N 1 1 475.435 3.108 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301722309 1066630342 /nfs/dbraw/zinc/63/03/42/1066630342.db2.gz QKBVIFJQTBOTAB-LJQANCHMSA-N 1 1 460.026 3.030 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001301722461 1066630416 /nfs/dbraw/zinc/63/04/16/1066630416.db2.gz QRTPCBUEAKXGHK-WIYYLYMNSA-N 1 1 463.598 3.387 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001301723149 1066633576 /nfs/dbraw/zinc/63/35/76/1066633576.db2.gz XDJGFGOMVMYNRB-SQNIBIBYSA-N 1 1 451.612 3.466 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001301723081 1066633702 /nfs/dbraw/zinc/63/37/02/1066633702.db2.gz VIVTYFXNPZRZQD-QZTJIDSGSA-N 1 1 495.466 3.257 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001301725072 1066638233 /nfs/dbraw/zinc/63/82/33/1066638233.db2.gz LQBABTSKIXJTFW-LJQANCHMSA-N 1 1 450.587 3.426 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)C1 ZINC001301726949 1066644337 /nfs/dbraw/zinc/64/43/37/1066644337.db2.gz XSEDXXYBEIQNJA-CYBMUJFWSA-N 1 1 460.467 3.289 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001301727570 1066645029 /nfs/dbraw/zinc/64/50/29/1066645029.db2.gz FYVOXNLHVKKONJ-SFHVURJKSA-N 1 1 492.462 3.417 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCCC[C@H](COC)C1 ZINC001301727995 1066646393 /nfs/dbraw/zinc/64/63/93/1066646393.db2.gz QOQXFHLVBRRZJR-FQEVSTJZSA-N 1 1 452.603 3.324 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001301728039 1066646505 /nfs/dbraw/zinc/64/65/05/1066646505.db2.gz SIXZMZPAQQFQRS-INIZCTEOSA-N 1 1 496.450 3.298 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001301728076 1066647069 /nfs/dbraw/zinc/64/70/69/1066647069.db2.gz ULGBCAMLYBYORW-UHFFFAOYSA-N 1 1 461.973 3.354 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC001301729533 1066647683 /nfs/dbraw/zinc/64/76/83/1066647683.db2.gz JUCITNLXXUWNMK-UHFFFAOYSA-N 1 1 450.587 3.311 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC[C@@H](C)C1 ZINC001301729077 1066647755 /nfs/dbraw/zinc/64/77/55/1066647755.db2.gz DIDJVSOUVWQNEQ-HXUWFJFHSA-N 1 1 481.645 3.441 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001302175113 1066648139 /nfs/dbraw/zinc/64/81/39/1066648139.db2.gz FVTPADZXAUHVDA-RZUBCFFCSA-N 1 1 456.635 3.258 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001301730275 1066649189 /nfs/dbraw/zinc/64/91/89/1066649189.db2.gz ROHPGPZPPLJURY-UHFFFAOYSA-N 1 1 480.588 3.465 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001301730938 1066650086 /nfs/dbraw/zinc/65/00/86/1066650086.db2.gz GWGUIIGKBFVHGR-UHFFFAOYSA-N 1 1 487.624 3.444 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001302177435 1066652399 /nfs/dbraw/zinc/65/23/99/1066652399.db2.gz WFZWPWRMZXMXMR-OFVILXPXSA-N 1 1 459.610 3.215 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001301732829 1066652652 /nfs/dbraw/zinc/65/26/52/1066652652.db2.gz VFSVQHQPFDVLLW-QFIPXVFZSA-N 1 1 454.575 3.040 20 0 JGADMO COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)s1 ZINC001302177536 1066653052 /nfs/dbraw/zinc/65/30/52/1066653052.db2.gz GLMVNOZTFFXXIJ-GOSISDBHSA-N 1 1 452.580 3.288 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1ccc(C)cc1 ZINC001301734994 1066656581 /nfs/dbraw/zinc/65/65/81/1066656581.db2.gz USMDTSOWNFZMFO-NRFANRHFSA-N 1 1 488.633 3.241 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCOC2(CCCCC2)C1 ZINC001301736348 1066658671 /nfs/dbraw/zinc/65/86/71/1066658671.db2.gz LZQCPKMSHHEONH-UHFFFAOYSA-N 1 1 461.582 3.114 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302183680 1066660465 /nfs/dbraw/zinc/66/04/65/1066660465.db2.gz BMJWHLUUGHEOQQ-RZUBCFFCSA-N 1 1 463.667 3.140 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCO[C@H](c3ccccc3Br)C2)nnc1C(C)(C)C ZINC001301739594 1066660892 /nfs/dbraw/zinc/66/08/92/1066660892.db2.gz BVEUNVFMEQYTOX-IBGZPJMESA-N 1 1 480.451 3.494 20 0 JGADMO COc1ccc([C@H]2CN(C(=O)c3cnn(Cc4ccccc4)c3Br)CC[NH2+]2)cc1 ZINC001302184421 1066661601 /nfs/dbraw/zinc/66/16/01/1066661601.db2.gz UGBQSCADLVXGJH-HXUWFJFHSA-N 1 1 455.356 3.489 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001301741239 1066662493 /nfs/dbraw/zinc/66/24/93/1066662493.db2.gz PYLMISCDXMVYCL-YPAWHYETSA-N 1 1 473.666 3.121 20 0 JGADMO COCCOC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001302185963 1066665025 /nfs/dbraw/zinc/66/50/25/1066665025.db2.gz YHBLORGZDRSZFQ-RTWAWAEBSA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)(C)CCCn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001302187530 1066666437 /nfs/dbraw/zinc/66/64/37/1066666437.db2.gz MPBAFPIYSBOENU-FCHUYYIVSA-N 1 1 471.646 3.170 20 0 JGADMO CC(C)(C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302189422 1066668512 /nfs/dbraw/zinc/66/85/12/1066668512.db2.gz TVKXXXFXEVSGER-HSALFYBXSA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)(C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302189422 1066668517 /nfs/dbraw/zinc/66/85/17/1066668517.db2.gz TVKXXXFXEVSGER-HSALFYBXSA-N 1 1 476.666 3.396 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001301744278 1066669333 /nfs/dbraw/zinc/66/93/33/1066669333.db2.gz LHZSNHYDVLVMCM-QYZOEREBSA-N 1 1 474.600 3.325 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC001301745000 1066671184 /nfs/dbraw/zinc/67/11/84/1066671184.db2.gz PCVZJNDKRNBBBE-WOJBJXKFSA-N 1 1 489.064 3.080 20 0 JGADMO CC(=O)N1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC12CCCCC2 ZINC001301745295 1066672712 /nfs/dbraw/zinc/67/27/12/1066672712.db2.gz RZVMTBABEOHOKB-SZPZYZBQSA-N 1 1 474.694 3.347 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001301745480 1066672774 /nfs/dbraw/zinc/67/27/74/1066672774.db2.gz UUOYAZWGCYQUQH-KRWDZBQOSA-N 1 1 455.994 3.175 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(C)(=O)=O)CC1 ZINC001302191090 1066673365 /nfs/dbraw/zinc/67/33/65/1066673365.db2.gz QAKANFADLWWDLO-UHFFFAOYSA-N 1 1 458.632 3.029 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC001301748908 1066677934 /nfs/dbraw/zinc/67/79/34/1066677934.db2.gz DZLRPJPBURGEAC-GGAORHGYSA-N 1 1 468.646 3.343 20 0 JGADMO COCCOCc1ccc(Cn2c(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)nnc2C(C)(C)C)cc1 ZINC001302192989 1066678219 /nfs/dbraw/zinc/67/82/19/1066678219.db2.gz FIUAFDWJNWZPIN-UHFFFAOYSA-N 1 1 495.672 3.233 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001302194142 1066681178 /nfs/dbraw/zinc/68/11/78/1066681178.db2.gz BWVAEWCMCCREKX-UHFFFAOYSA-N 1 1 498.031 3.217 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)F)CC1 ZINC001302194514 1066681574 /nfs/dbraw/zinc/68/15/74/1066681574.db2.gz FVQCKNHNEFUWAQ-KRWDZBQOSA-N 1 1 462.545 3.190 20 0 JGADMO COCCOC[C@H]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302194803 1066682145 /nfs/dbraw/zinc/68/21/45/1066682145.db2.gz KABLLUOCSYMTIJ-BDTNDASRSA-N 1 1 471.646 3.322 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2COCCO2)CC1 ZINC001302195168 1066683740 /nfs/dbraw/zinc/68/37/40/1066683740.db2.gz NNTAFVOIBNTFQE-QGZVFWFLSA-N 1 1 478.435 3.434 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001302195233 1066684411 /nfs/dbraw/zinc/68/44/11/1066684411.db2.gz OVRLYDXWOFMPMH-UHFFFAOYSA-N 1 1 463.623 3.220 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001302195542 1066685054 /nfs/dbraw/zinc/68/50/54/1066685054.db2.gz VHWOEYDAPZWLDB-UHFFFAOYSA-N 1 1 471.009 3.062 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001302195926 1066685809 /nfs/dbraw/zinc/68/58/09/1066685809.db2.gz XNMGRWXQNKRVOZ-GOSISDBHSA-N 1 1 480.535 3.487 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC001301755854 1066686985 /nfs/dbraw/zinc/68/69/85/1066686985.db2.gz DWKMYFNGJLZXAH-XMSQKQJNSA-N 1 1 472.609 3.174 20 0 JGADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301756352 1066688258 /nfs/dbraw/zinc/68/82/58/1066688258.db2.gz JDJCJWOMFPRURG-HXUWFJFHSA-N 1 1 456.660 3.279 20 0 JGADMO COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302198064 1066689525 /nfs/dbraw/zinc/68/95/25/1066689525.db2.gz PHFFSFFZILHURG-QHAWAJNXSA-N 1 1 475.634 3.224 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C3CCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001302199558 1066691532 /nfs/dbraw/zinc/69/15/32/1066691532.db2.gz FUDKSQFNUCYXCA-UHFFFAOYSA-N 1 1 454.619 3.382 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001302199727 1066692109 /nfs/dbraw/zinc/69/21/09/1066692109.db2.gz GZCJCIWYMPXOQS-UHFFFAOYSA-N 1 1 482.654 3.048 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC001301757971 1066692914 /nfs/dbraw/zinc/69/29/14/1066692914.db2.gz DYOXBFBSQSPLOX-RBUKOAKNSA-N 1 1 475.037 3.299 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001302200553 1066694191 /nfs/dbraw/zinc/69/41/91/1066694191.db2.gz ONOPBDYWNQKXGF-UHFFFAOYSA-N 1 1 480.078 3.410 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(F)cccc2F)CC1 ZINC001302200353 1066694260 /nfs/dbraw/zinc/69/42/60/1066694260.db2.gz MWHPPQLKODWTIF-KRWDZBQOSA-N 1 1 481.613 3.012 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001302200555 1066694296 /nfs/dbraw/zinc/69/42/96/1066694296.db2.gz ONYCZFKNERXSGE-NRFANRHFSA-N 1 1 454.619 3.172 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001302200899 1066695469 /nfs/dbraw/zinc/69/54/69/1066695469.db2.gz UCNKMOHCUVWFMH-JOCHJYFZSA-N 1 1 456.635 3.018 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CCc4ccccc4)n3CCSC(C)C)C[C@@H]2C)CC1 ZINC001301762624 1066701313 /nfs/dbraw/zinc/70/13/13/1066701313.db2.gz CHBNWZWFJNDFQE-URXFXBBRSA-N 1 1 484.714 3.194 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CCc4ccccc4)n3CCCC(C)C)C[C@@H]2C)CC1 ZINC001301762961 1066702460 /nfs/dbraw/zinc/70/24/60/1066702460.db2.gz DVLYYGWOLSHHOI-DHLKQENFSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCO[C@H](C)C3)C[C@H]2C)CC1 ZINC001301762968 1066702622 /nfs/dbraw/zinc/70/26/22/1066702622.db2.gz DWMWXLZDCIPLRP-OHUMZHCVSA-N 1 1 474.694 3.061 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CCC(C)C)C[C@@H]2C)CC1 ZINC001301764104 1066704863 /nfs/dbraw/zinc/70/48/63/1066704863.db2.gz ILDSVOOMJVPSJK-JXFKEZNVSA-N 1 1 492.466 3.071 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCOc3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC001301764464 1066705232 /nfs/dbraw/zinc/70/52/32/1066705232.db2.gz JQUZYYIXIOOQDY-AUSIDOKSSA-N 1 1 489.064 3.198 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCc3ccc(F)cc3C)C[C@H]2C)CC1 ZINC001301764812 1066705932 /nfs/dbraw/zinc/70/59/32/1066705932.db2.gz LBWDKBUIRWPAOU-XXBNENTESA-N 1 1 456.610 3.081 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001301766065 1066707167 /nfs/dbraw/zinc/70/71/67/1066707167.db2.gz BLPRLQSMDOGEIO-YLJYHZDGSA-N 1 1 460.026 3.173 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001301766062 1066707433 /nfs/dbraw/zinc/70/74/33/1066707433.db2.gz BLPRLQSMDOGEIO-FXAWDEMLSA-N 1 1 460.026 3.173 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(OC(F)F)c(F)c3)C[C@@H]2C)CC1 ZINC001301766568 1066707947 /nfs/dbraw/zinc/70/79/47/1066707947.db2.gz OQRSAIVVFXRCNM-JXFKEZNVSA-N 1 1 494.562 3.179 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(OC(C)C)cc3)C[C@H]2C)CC1 ZINC001301767153 1066708614 /nfs/dbraw/zinc/70/86/14/1066708614.db2.gz PLLZVVMJWBPOKG-YKSBVNFPSA-N 1 1 482.673 3.400 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3Br)nnc2N2CCC[C@H](C)C2)CC1 ZINC001301767699 1066710327 /nfs/dbraw/zinc/71/03/27/1066710327.db2.gz WFJIYYKTGVLRBI-KRWDZBQOSA-N 1 1 475.435 3.108 20 0 JGADMO CC(C)(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001302210853 1066710764 /nfs/dbraw/zinc/71/07/64/1066710764.db2.gz SNCQUAATNKUNJD-UHFFFAOYSA-N 1 1 479.604 3.030 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccccc4F)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301768225 1066711069 /nfs/dbraw/zinc/71/10/69/1066711069.db2.gz ULQBCSBRWAJELL-UTKZUKDTSA-N 1 1 496.553 3.339 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CCCOC(F)F)C[C@@H]2C)CC1 ZINC001301768378 1066711681 /nfs/dbraw/zinc/71/16/81/1066711681.db2.gz VPPJUDATDYUGMM-OXJNMPFZSA-N 1 1 496.990 3.217 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001301781505 1066731046 /nfs/dbraw/zinc/73/10/46/1066731046.db2.gz YICWMFONFNZQHJ-DEOSSOPVSA-N 1 1 474.005 3.143 20 0 JGADMO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c(OC)c1 ZINC001301781685 1066731510 /nfs/dbraw/zinc/73/15/10/1066731510.db2.gz FTVFPKPLCZQXEQ-REWPJTCUSA-N 1 1 451.567 3.008 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001301788627 1066738047 /nfs/dbraw/zinc/73/80/47/1066738047.db2.gz JXZHLPBPAJUQEI-UHFFFAOYSA-N 1 1 497.669 3.188 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001301788627 1066738055 /nfs/dbraw/zinc/73/80/55/1066738055.db2.gz JXZHLPBPAJUQEI-UHFFFAOYSA-N 1 1 497.669 3.188 20 0 JGADMO COCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302229726 1066744719 /nfs/dbraw/zinc/74/47/19/1066744719.db2.gz ICJBSINQWBLYDV-UHFFFAOYSA-N 1 1 454.619 3.324 20 0 JGADMO CC(=O)Nc1cccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001301796480 1066747786 /nfs/dbraw/zinc/74/77/86/1066747786.db2.gz VKYZVZZYJPXUFA-HSZRJFAPSA-N 1 1 484.645 3.321 20 0 JGADMO COCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001302234540 1066754425 /nfs/dbraw/zinc/75/44/25/1066754425.db2.gz PQXIEWNMOULWMU-HHHXNRCGSA-N 1 1 485.673 3.401 20 0 JGADMO COCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001302234540 1066754428 /nfs/dbraw/zinc/75/44/28/1066754428.db2.gz PQXIEWNMOULWMU-HHHXNRCGSA-N 1 1 485.673 3.401 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301802965 1066754850 /nfs/dbraw/zinc/75/48/50/1066754850.db2.gz KBQKYDRYZUHUSO-RDABAPPSSA-N 1 1 453.635 3.344 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(CC(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001301807798 1066762331 /nfs/dbraw/zinc/76/23/31/1066762331.db2.gz KFNVJZAIJYESNH-LZBANZJXSA-N 1 1 462.683 3.107 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001302241926 1066767051 /nfs/dbraw/zinc/76/70/51/1066767051.db2.gz KXYSDBSZBZOVOW-IBGZPJMESA-N 1 1 462.639 3.150 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C3CCC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001302241926 1066767056 /nfs/dbraw/zinc/76/70/56/1066767056.db2.gz KXYSDBSZBZOVOW-IBGZPJMESA-N 1 1 462.639 3.150 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001302241928 1066767882 /nfs/dbraw/zinc/76/78/82/1066767882.db2.gz ZBOIMKWXCUAEEJ-SFHVURJKSA-N 1 1 491.036 3.424 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301813613 1066768631 /nfs/dbraw/zinc/76/86/31/1066768631.db2.gz MPRXYNYNEPGNNS-XZOQPEGZSA-N 1 1 495.672 3.373 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301813611 1066768654 /nfs/dbraw/zinc/76/86/54/1066768654.db2.gz MPRXYNYNEPGNNS-PKTZIBPZSA-N 1 1 495.672 3.373 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001301814406 1066770066 /nfs/dbraw/zinc/77/00/66/1066770066.db2.gz GUTTXMQLMJGLOR-CMKODMSKSA-N 1 1 458.582 3.146 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001301817358 1066775249 /nfs/dbraw/zinc/77/52/49/1066775249.db2.gz ZPDWOKIPOSSPBQ-YADHBBJMSA-N 1 1 475.037 3.060 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001301817385 1066775322 /nfs/dbraw/zinc/77/53/22/1066775322.db2.gz CGAKQCLNLKMVTM-CRAIPNDOSA-N 1 1 493.425 3.436 20 0 JGADMO COc1ccc(Br)cc1-c1nc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cs1 ZINC001302247398 1066778422 /nfs/dbraw/zinc/77/84/22/1066778422.db2.gz TVFSCAGUAVWTPN-ZDUSSCGKSA-N 1 1 454.390 3.156 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001301819979 1066781295 /nfs/dbraw/zinc/78/12/95/1066781295.db2.gz XTEMKYXCZDQHTF-FPOVZHCZSA-N 1 1 474.053 3.466 20 0 JGADMO CC(C)(C)OC(=O)NCC(F)(F)Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001302252014 1066788899 /nfs/dbraw/zinc/78/88/99/1066788899.db2.gz JKSSOWAPJWURRS-LJQANCHMSA-N 1 1 491.587 3.098 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001301830064 1066795827 /nfs/dbraw/zinc/79/58/27/1066795827.db2.gz YDTIEFBABVTANZ-REWPJTCUSA-N 1 1 453.635 3.023 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301831991 1066798251 /nfs/dbraw/zinc/79/82/51/1066798251.db2.gz IAJXCMWGSHAUED-UEVCKROQSA-N 1 1 454.619 3.145 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301832568 1066799279 /nfs/dbraw/zinc/79/92/79/1066799279.db2.gz LWPRZBNWFIIBRR-ZDXQCDESSA-N 1 1 498.672 3.078 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cnc(C)s2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302257676 1066802664 /nfs/dbraw/zinc/80/26/64/1066802664.db2.gz DSRCYOKUSWRCSX-NZGUISNBSA-N 1 1 492.690 3.291 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302259796 1066806442 /nfs/dbraw/zinc/80/64/42/1066806442.db2.gz UJIVLRVJNJEYDM-UNMCSNQZSA-N 1 1 492.064 3.445 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302259796 1066806449 /nfs/dbraw/zinc/80/64/49/1066806449.db2.gz UJIVLRVJNJEYDM-UNMCSNQZSA-N 1 1 492.064 3.445 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301845481 1066819643 /nfs/dbraw/zinc/81/96/43/1066819643.db2.gz UYFNQNGUWICGPJ-GOSISDBHSA-N 1 1 459.038 3.359 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301845483 1066819655 /nfs/dbraw/zinc/81/96/55/1066819655.db2.gz UYFNQNGUWICGPJ-SFHVURJKSA-N 1 1 459.038 3.359 20 0 JGADMO CC(=O)NC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001301851115 1066827076 /nfs/dbraw/zinc/82/70/76/1066827076.db2.gz OYLGLIDUBTWAMM-FGZHOGPDSA-N 1 1 460.667 3.176 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301852034 1066828805 /nfs/dbraw/zinc/82/88/05/1066828805.db2.gz BHHGYVMBEZZWRI-KRWDZBQOSA-N 1 1 493.475 3.384 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301854347 1066833263 /nfs/dbraw/zinc/83/32/63/1066833263.db2.gz VQCCEUYLMPVKBT-IBGZPJMESA-N 1 1 487.446 3.322 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+](C)C(C)C)C1 ZINC001301860143 1066845326 /nfs/dbraw/zinc/84/53/26/1066845326.db2.gz ZBSCYKKEVZGFBS-UYAOXDASSA-N 1 1 460.598 3.250 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001302283580 1066852881 /nfs/dbraw/zinc/85/28/81/1066852881.db2.gz YJHYSSUPXIRZQH-IEBWSBKVSA-N 1 1 453.587 3.201 20 0 JGADMO COCCN1C[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1=O ZINC001301865048 1066854764 /nfs/dbraw/zinc/85/47/64/1066854764.db2.gz UVRFWQGAZXZVTO-PKTZIBPZSA-N 1 1 482.673 3.072 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CCCO)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302285017 1066856299 /nfs/dbraw/zinc/85/62/99/1066856299.db2.gz XCLJOKWTYXKYPL-VAPSRWTKSA-N 1 1 463.667 3.111 20 0 JGADMO CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001301866298 1066857474 /nfs/dbraw/zinc/85/74/74/1066857474.db2.gz BQMNKXIUMZRMPW-PFKOEMKTSA-N 1 1 451.611 3.379 20 0 JGADMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001301870116 1066861362 /nfs/dbraw/zinc/86/13/62/1066861362.db2.gz YCQUSJJTCFYOSS-XGHQBKJUSA-N 1 1 450.004 3.034 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(OC)CCC2)C[C@@H]1C ZINC001301875245 1066876414 /nfs/dbraw/zinc/87/64/14/1066876414.db2.gz SOSVGJWJCWVOHG-NRFANRHFSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(OC)CCC2)C[C@@H]1C ZINC001301875245 1066876420 /nfs/dbraw/zinc/87/64/20/1066876420.db2.gz SOSVGJWJCWVOHG-NRFANRHFSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cc(C)no2)CC1 ZINC001301875855 1066877257 /nfs/dbraw/zinc/87/72/57/1066877257.db2.gz BVPPFHMRMCQQJW-QGZVFWFLSA-N 1 1 460.966 3.185 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CCCCC2)CC1 ZINC001301876718 1066878027 /nfs/dbraw/zinc/87/80/27/1066878027.db2.gz GTJWQPAAGQZSDB-JOCHJYFZSA-N 1 1 471.646 3.499 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001301876639 1066878199 /nfs/dbraw/zinc/87/81/99/1066878199.db2.gz GIEOYDHQMGLXIP-GAJHUEQPSA-N 1 1 464.010 3.001 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)C2CC2)CC1 ZINC001301876646 1066878316 /nfs/dbraw/zinc/87/83/16/1066878316.db2.gz GIEOYDHQMGLXIP-SBUREZEXSA-N 1 1 464.010 3.001 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001301877439 1066879698 /nfs/dbraw/zinc/87/96/98/1066879698.db2.gz NCYXSTOVDRNZGK-PMVMPFDFSA-N 1 1 471.646 3.476 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001301877967 1066880941 /nfs/dbraw/zinc/88/09/41/1066880941.db2.gz UCMMHGJGERFOLN-NZQKXSOJSA-N 1 1 485.620 3.303 20 0 JGADMO COCCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301878208 1066881779 /nfs/dbraw/zinc/88/17/79/1066881779.db2.gz ULCFCRGXLJGVKG-JTHBVZDNSA-N 1 1 470.662 3.288 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301879928 1066884954 /nfs/dbraw/zinc/88/49/54/1066884954.db2.gz MSRRQYDPWLQLEE-KDURUIRLSA-N 1 1 486.636 3.325 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nc(C)cs2)C[C@H]1C ZINC001301882390 1066889862 /nfs/dbraw/zinc/88/98/62/1066889862.db2.gz OSVUAXJRRQMQRM-CQSZACIVSA-N 1 1 480.436 3.006 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001302303796 1066891021 /nfs/dbraw/zinc/89/10/21/1066891021.db2.gz MMLXATZXYMJVMY-GMAHTHKFSA-N 1 1 472.634 3.153 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001302304332 1066892279 /nfs/dbraw/zinc/89/22/79/1066892279.db2.gz WFFPTFCABRGQGY-BZSNNMDCSA-N 1 1 477.572 3.280 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2cccn2)C[C@H]1C ZINC001301885597 1066894036 /nfs/dbraw/zinc/89/40/36/1066894036.db2.gz KJTNODJDFTWHBY-MRXNPFEDSA-N 1 1 494.463 3.213 20 0 JGADMO COCCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[N@@H+](C)C(C)C)CC1=O ZINC001301885559 1066894243 /nfs/dbraw/zinc/89/42/43/1066894243.db2.gz JQFYLZUIDWNHHM-UHFFFAOYSA-N 1 1 488.702 3.301 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCCO2)CC1 ZINC001301885822 1066894919 /nfs/dbraw/zinc/89/49/19/1066894919.db2.gz NHOFOXLYXLUUMP-MRXNPFEDSA-N 1 1 484.826 3.308 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)SC)CC1 ZINC001301885861 1066894933 /nfs/dbraw/zinc/89/49/33/1066894933.db2.gz NVRQKHSRTSXWBM-OAHLLOKOSA-N 1 1 454.438 3.228 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](OC)C2CC2)C[C@@H]1C ZINC001301885871 1066895501 /nfs/dbraw/zinc/89/55/01/1066895501.db2.gz OCAOSIBKJFLVNQ-OXJNMPFZSA-N 1 1 478.435 3.290 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001301886106 1066895812 /nfs/dbraw/zinc/89/58/12/1066895812.db2.gz RMPHSMOGSJJYNG-YADHBBJMSA-N 1 1 470.662 3.375 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCC[C@@H]2C)C[C@@H]1C ZINC001301886359 1066897191 /nfs/dbraw/zinc/89/71/91/1066897191.db2.gz WHQIJBUPRGLSIO-CKJXQJPGSA-N 1 1 498.491 3.477 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301887131 1066899590 /nfs/dbraw/zinc/89/95/90/1066899590.db2.gz NTGRMHFEHRYGMB-RDPSFJRHSA-N 1 1 468.646 3.393 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@](C)(O)C(C)C ZINC001302309003 1066901115 /nfs/dbraw/zinc/90/11/15/1066901115.db2.gz QPIFNRMOZGDDOZ-HGBASVHRSA-N 1 1 477.675 3.354 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCCO2)C[C@H]1C ZINC001301887834 1066902232 /nfs/dbraw/zinc/90/22/32/1066902232.db2.gz LRYAINURJDUKBE-MJGOQNOKSA-N 1 1 464.010 3.333 20 0 JGADMO CC(C)(C)OCCn1c(CCOc2ccccc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001302310379 1066903084 /nfs/dbraw/zinc/90/30/84/1066903084.db2.gz HQZIXTGCQUMMKB-VWLOTQADSA-N 1 1 457.619 3.016 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301888341 1066903536 /nfs/dbraw/zinc/90/35/36/1066903536.db2.gz MQCWLWZWYDLEJK-MSOLQXFVSA-N 1 1 476.622 3.259 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCn2ccnc2C)C[C@H]1C ZINC001301888542 1066904328 /nfs/dbraw/zinc/90/43/28/1066904328.db2.gz RPQJXVPIANTVSK-GOSISDBHSA-N 1 1 473.025 3.136 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301888790 1066904756 /nfs/dbraw/zinc/90/47/56/1066904756.db2.gz PITCBGNWZGEOTQ-VQTJNVASSA-N 1 1 461.054 3.487 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001302311344 1066905221 /nfs/dbraw/zinc/90/52/21/1066905221.db2.gz HVLZJHVYLIRURP-WOZUAGRISA-N 1 1 481.707 3.081 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CC=CCO2)C[C@H]1C ZINC001301889226 1066906178 /nfs/dbraw/zinc/90/61/78/1066906178.db2.gz XSJATPZAJCTYAS-IFMALSPDSA-N 1 1 485.629 3.243 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001301889470 1066907380 /nfs/dbraw/zinc/90/73/80/1066907380.db2.gz ZNAAOTMOEGIBNK-XLIONFOSSA-N 1 1 458.632 3.368 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302315756 1066913036 /nfs/dbraw/zinc/91/30/36/1066913036.db2.gz NNAJJKNHWZZFJJ-MSZDEVHKSA-N 1 1 493.693 3.000 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001301892750 1066913913 /nfs/dbraw/zinc/91/39/13/1066913913.db2.gz XAIMZBTWURFPQK-ZWKOTPCHSA-N 1 1 478.435 3.149 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001301893056 1066914157 /nfs/dbraw/zinc/91/41/57/1066914157.db2.gz ZVTCPYMBDBOWMK-FPOVZHCZSA-N 1 1 454.644 3.466 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCn1cc[nH+]c1C ZINC001302317225 1066914916 /nfs/dbraw/zinc/91/49/16/1066914916.db2.gz VGOYWDWAEFDPRY-MZLICYQSSA-N 1 1 460.623 3.239 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001301895555 1066915750 /nfs/dbraw/zinc/91/57/50/1066915750.db2.gz FAHUEEDQRVKEFT-QGZVFWFLSA-N 1 1 458.513 3.147 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCCOc2ccc(F)cc2)C[C@H]1C ZINC001301896184 1066918185 /nfs/dbraw/zinc/91/81/85/1066918185.db2.gz OZKLTQAQJPOLSJ-LJQANCHMSA-N 1 1 454.550 3.105 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001301896212 1066918911 /nfs/dbraw/zinc/91/89/11/1066918911.db2.gz GAKYGVZUDDSTCC-GOSISDBHSA-N 1 1 463.623 3.153 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OCC(C)C)CC1 ZINC001301896344 1066919320 /nfs/dbraw/zinc/91/93/20/1066919320.db2.gz QONBBCSLAXRNFE-UHFFFAOYSA-N 1 1 452.603 3.135 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(C)(C)C)nc2)C[C@H]1C ZINC001301896550 1066920261 /nfs/dbraw/zinc/92/02/61/1066920261.db2.gz UOXYLCMIEOEFKH-LJQANCHMSA-N 1 1 465.602 3.118 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(Br)s2)CC1 ZINC001301896601 1066920314 /nfs/dbraw/zinc/92/03/14/1066920314.db2.gz WHWWQXJLEPPDCR-UHFFFAOYSA-N 1 1 477.432 3.175 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001301896704 1066920371 /nfs/dbraw/zinc/92/03/71/1066920371.db2.gz PHOPYZXBMHDJAT-FQEVSTJZSA-N 1 1 481.645 3.320 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001301897484 1066921357 /nfs/dbraw/zinc/92/13/57/1066921357.db2.gz XYISVDMFFQEDHP-INIZCTEOSA-N 1 1 457.497 3.037 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ncccc2N(C)C)C[C@H]1C ZINC001301897222 1066921384 /nfs/dbraw/zinc/92/13/84/1066921384.db2.gz UQFSVIFYVDJYMV-GOSISDBHSA-N 1 1 470.021 3.265 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCOC(C)C)C[C@@H]1C ZINC001301898279 1066922200 /nfs/dbraw/zinc/92/22/00/1066922200.db2.gz JYKNWQMYTNLDMB-FQEVSTJZSA-N 1 1 454.619 3.409 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301898326 1066922241 /nfs/dbraw/zinc/92/22/41/1066922241.db2.gz LBQILEVSHOYVPY-OFNKIYASSA-N 1 1 451.619 3.041 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(Nc2cnn(C)c2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302324160 1066922449 /nfs/dbraw/zinc/92/24/49/1066922449.db2.gz YIOHVYQPNTUEIE-YSSFQJQWSA-N 1 1 459.982 3.436 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(Nc2cnn(C)c2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302324158 1066922497 /nfs/dbraw/zinc/92/24/97/1066922497.db2.gz YIOHVYQPNTUEIE-BEVDRBHNSA-N 1 1 459.982 3.436 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC(C)C)nc2)C[C@H]1C ZINC001301899019 1066923801 /nfs/dbraw/zinc/92/38/01/1066923801.db2.gz BEBZYEZMXMJFPR-HXUWFJFHSA-N 1 1 465.602 3.036 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CC3)n2CCc2ccc(Br)s2)C[C@H]1C ZINC001301899396 1066924238 /nfs/dbraw/zinc/92/42/38/1066924238.db2.gz DROCRYNGUWPPTB-CQSZACIVSA-N 1 1 454.438 3.379 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CC3)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001301899919 1066924487 /nfs/dbraw/zinc/92/44/87/1066924487.db2.gz HUZMCJJGFKLPCH-OAHLLOKOSA-N 1 1 466.399 3.457 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001301900186 1066925209 /nfs/dbraw/zinc/92/52/09/1066925209.db2.gz YFFQIAJTTQCSBX-LJQANCHMSA-N 1 1 482.629 3.425 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001301900414 1066925361 /nfs/dbraw/zinc/92/53/61/1066925361.db2.gz LCZLIGKAXRQLCO-NBGIEHNGSA-N 1 1 456.635 3.137 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001301901350 1066926609 /nfs/dbraw/zinc/92/66/09/1066926609.db2.gz QQAPTRLELBDWJV-UHFFFAOYSA-N 1 1 456.635 3.401 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCOc2ccc(F)cc2)CC1 ZINC001301901280 1066926683 /nfs/dbraw/zinc/92/66/83/1066926683.db2.gz PHAGLKNQDMMXSC-UHFFFAOYSA-N 1 1 454.550 3.025 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2Cc2c(F)cccc2OC(F)F)C[C@H]1C ZINC001301907632 1066932161 /nfs/dbraw/zinc/93/21/61/1066932161.db2.gz OIOXCDBEPDYIMX-OAHLLOKOSA-N 1 1 453.509 3.491 20 0 JGADMO CON(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001302332829 1066932171 /nfs/dbraw/zinc/93/21/71/1066932171.db2.gz WOTYVWZRWZQORA-LJQANCHMSA-N 1 1 489.418 3.049 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C)CCOCC2)C[C@H]1C ZINC001301909730 1066933692 /nfs/dbraw/zinc/93/36/92/1066933692.db2.gz GCTKZHUWIRHINM-LJQANCHMSA-N 1 1 462.038 3.496 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001302335569 1066935027 /nfs/dbraw/zinc/93/50/27/1066935027.db2.gz WFQZHFUZIWQUPL-BWKVVEIFSA-N 1 1 465.708 3.418 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301910469 1066935355 /nfs/dbraw/zinc/93/53/55/1066935355.db2.gz CNSCCGKWGHEVDS-VIZSFHNOSA-N 1 1 491.080 3.285 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(C)sc(C)c2Br)CC1 ZINC001301910731 1066935542 /nfs/dbraw/zinc/93/55/42/1066935542.db2.gz WESDMIRIYYQTIF-MRXNPFEDSA-N 1 1 484.464 3.040 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001301911146 1066935635 /nfs/dbraw/zinc/93/56/35/1066935635.db2.gz HGFCLGKKMQHEGW-DHLKQENFSA-N 1 1 498.672 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2CC(C)(C)c2ccc3c(c2)OCO3)C[C@@H]1C ZINC001301910937 1066936231 /nfs/dbraw/zinc/93/62/31/1066936231.db2.gz KWDAMEHWGMXCRO-IBGZPJMESA-N 1 1 457.619 3.340 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2csc([C@@H](C)OC)n2)C[C@H]1C ZINC001301910944 1066936491 /nfs/dbraw/zinc/93/64/91/1066936491.db2.gz KYMOBFGFJCTQMF-IAGOWNOFSA-N 1 1 450.653 3.236 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(CC3CCCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301911195 1066936730 /nfs/dbraw/zinc/93/67/30/1066936730.db2.gz HWTPNGHAXIYTRX-IMSXRSKXSA-N 1 1 474.694 3.110 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)cc2C(F)(F)F)C[C@H]1C ZINC001301911627 1066937184 /nfs/dbraw/zinc/93/71/84/1066937184.db2.gz IJULDVOEIDVONN-IEBWSBKVSA-N 1 1 497.562 3.405 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001301911876 1066937879 /nfs/dbraw/zinc/93/78/79/1066937879.db2.gz NMWJLZMRSBZFRO-UXHICEINSA-N 1 1 478.682 3.423 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001301912659 1066940004 /nfs/dbraw/zinc/94/00/04/1066940004.db2.gz LWUOMWLZSZUISV-XLIONFOSSA-N 1 1 482.551 3.333 20 0 JGADMO CC(C)(Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC001302342057 1066940374 /nfs/dbraw/zinc/94/03/74/1066940374.db2.gz OTTUSLXLMZARBF-GOSISDBHSA-N 1 1 452.525 3.011 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccn(Cc3ccccc3)n2)C[C@H]1C ZINC001301913148 1066941269 /nfs/dbraw/zinc/94/12/69/1066941269.db2.gz UMTUVMHPFNTBMV-OAQYLSRUSA-N 1 1 465.646 3.317 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccsc2)CC1 ZINC001301913348 1066941670 /nfs/dbraw/zinc/94/16/70/1066941670.db2.gz NFUNISXUSCFXMM-FQEVSTJZSA-N 1 1 490.674 3.271 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001301915636 1066945404 /nfs/dbraw/zinc/94/54/04/1066945404.db2.gz SXNSFECPSASIKI-GIWBLDEGSA-N 1 1 457.619 3.453 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N(C)c2ccccc2)C[C@@H]1C ZINC001301915777 1066945908 /nfs/dbraw/zinc/94/59/08/1066945908.db2.gz VDWIVSBYMGJRNN-GIWBLDEGSA-N 1 1 456.635 3.202 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001301916521 1066946937 /nfs/dbraw/zinc/94/69/37/1066946937.db2.gz XTEKRIHVGSKULK-XLIONFOSSA-N 1 1 494.036 3.396 20 0 JGADMO CC(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001301916750 1066946987 /nfs/dbraw/zinc/94/69/87/1066946987.db2.gz NBMAIBUUUNYFSD-NZQKXSOJSA-N 1 1 499.063 3.378 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC(F)(F)C2)CC1 ZINC001301916860 1066947361 /nfs/dbraw/zinc/94/73/61/1066947361.db2.gz ZXWUQOMNUCXPPI-UHFFFAOYSA-N 1 1 498.619 3.206 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC(C)C)nc2)C[C@@H]1C ZINC001301917798 1066947613 /nfs/dbraw/zinc/94/76/13/1066947613.db2.gz BADDDYZEFVHOJR-SFHVURJKSA-N 1 1 485.658 3.021 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2cccc(C)n2)CC1 ZINC001301918378 1066948447 /nfs/dbraw/zinc/94/84/47/1066948447.db2.gz AUGFLVHNUMRJHX-UHFFFAOYSA-N 1 1 455.006 3.237 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccccc2F)C[C@@H]1C ZINC001301918301 1066948551 /nfs/dbraw/zinc/94/85/51/1066948551.db2.gz HDBWTSNQZURYEB-PMACEKPBSA-N 1 1 468.577 3.027 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301918341 1066948670 /nfs/dbraw/zinc/94/86/70/1066948670.db2.gz IIXCOIFOOUYEAG-RDPSFJRHSA-N 1 1 498.075 3.377 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001301918832 1066950143 /nfs/dbraw/zinc/95/01/43/1066950143.db2.gz DLEDBJZRDSKFDM-UHFFFAOYSA-N 1 1 482.604 3.397 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2C)C[C@@H]1C ZINC001301919031 1066950374 /nfs/dbraw/zinc/95/03/74/1066950374.db2.gz OCVCYENSXXXECK-IBGZPJMESA-N 1 1 454.644 3.456 20 0 JGADMO CC(C)(O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302359498 1066950682 /nfs/dbraw/zinc/95/06/82/1066950682.db2.gz GBDPXGGEFIWVSC-NRFANRHFSA-N 1 1 485.673 3.474 20 0 JGADMO CC(C)(O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001302359556 1066950985 /nfs/dbraw/zinc/95/09/85/1066950985.db2.gz HFVLXWPCRGOJLL-SFHVURJKSA-N 1 1 478.435 3.455 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302363462 1066953639 /nfs/dbraw/zinc/95/36/39/1066953639.db2.gz FTYQHABPHBUBSG-UYAOXDASSA-N 1 1 475.659 3.084 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001301920991 1066953950 /nfs/dbraw/zinc/95/39/50/1066953950.db2.gz GMDWUUDTGFBILJ-UHFFFAOYSA-N 1 1 482.551 3.164 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OC(F)F)C[C@@H]1C ZINC001301921154 1066954771 /nfs/dbraw/zinc/95/47/71/1066954771.db2.gz QWVSNAQHUKDDAM-SFHVURJKSA-N 1 1 472.540 3.071 20 0 JGADMO CO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302364686 1066954948 /nfs/dbraw/zinc/95/49/48/1066954948.db2.gz AEBAXAWCBDQEFI-NQSCKRDGSA-N 1 1 454.619 3.493 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302366763 1066956019 /nfs/dbraw/zinc/95/60/19/1066956019.db2.gz SAYMCTIMWMKQCN-STZQEDGTSA-N 1 1 461.582 3.139 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(Cl)nc2)C[C@@H]1C ZINC001301921673 1066956032 /nfs/dbraw/zinc/95/60/32/1066956032.db2.gz UPJYVJIAXWAXKP-SFHVURJKSA-N 1 1 471.005 3.131 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(OC(C)C)nc2)C[C@@H]1C ZINC001301922731 1066956449 /nfs/dbraw/zinc/95/64/49/1066956449.db2.gz YOYKQTBUNVISMT-FQEVSTJZSA-N 1 1 482.604 3.395 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](OC)c2ccc(F)cc2)CC1 ZINC001301923624 1066957526 /nfs/dbraw/zinc/95/75/26/1066957526.db2.gz QVAMHRQAWRBLAN-NRFANRHFSA-N 1 1 459.591 3.226 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001301924772 1066958585 /nfs/dbraw/zinc/95/85/85/1066958585.db2.gz WVKLPZSANBVOSW-WBVHZDCISA-N 1 1 461.554 3.055 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(Cl)s2)C[C@H]1C ZINC001301926363 1066959396 /nfs/dbraw/zinc/95/93/96/1066959396.db2.gz CXGRTWZCNCJLGO-GOSISDBHSA-N 1 1 478.066 3.254 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001301926180 1066959665 /nfs/dbraw/zinc/95/96/65/1066959665.db2.gz ANIMSBLYQRPQTK-HSZRJFAPSA-N 1 1 465.646 3.270 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@](C)(O)c2cccs2)C[C@H]1C ZINC001301926499 1066960003 /nfs/dbraw/zinc/96/00/03/1066960003.db2.gz GLKCCUJRTZFECY-CJFMBICVSA-N 1 1 469.655 3.189 20 0 JGADMO CC(C)=CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001302373993 1066960534 /nfs/dbraw/zinc/96/05/34/1066960534.db2.gz QLDRWBFCGGXWBD-SIKLNZKXSA-N 1 1 487.048 3.375 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302376399 1066961713 /nfs/dbraw/zinc/96/17/13/1066961713.db2.gz OOJLPZUGIKJNCH-XUVXKRRUSA-N 1 1 462.639 3.102 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302376397 1066961853 /nfs/dbraw/zinc/96/18/53/1066961853.db2.gz OOJLPZUGIKJNCH-VAMGGRTRSA-N 1 1 462.639 3.102 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nccs2)C[C@H]1C ZINC001301927379 1066962084 /nfs/dbraw/zinc/96/20/84/1066962084.db2.gz DSAHVWCCJIAERA-LJQANCHMSA-N 1 1 456.616 3.136 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001301927625 1066963374 /nfs/dbraw/zinc/96/33/74/1066963374.db2.gz KYVQDPCFGSAHFW-OAQYLSRUSA-N 1 1 450.587 3.074 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302380712 1066964027 /nfs/dbraw/zinc/96/40/27/1066964027.db2.gz OXCGWAMIFWTROW-LVCYWYKZSA-N 1 1 461.582 3.109 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nc(C)cs2)C[C@@H]1C ZINC001301927946 1066964434 /nfs/dbraw/zinc/96/44/34/1066964434.db2.gz PTTCJLNXALHJBV-FQEVSTJZSA-N 1 1 470.643 3.444 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC001301931279 1066969264 /nfs/dbraw/zinc/96/92/64/1066969264.db2.gz PYIJNCXAWJTGTQ-YYWHXJBOSA-N 1 1 479.572 3.145 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001301931243 1066969340 /nfs/dbraw/zinc/96/93/40/1066969340.db2.gz PFZDXGLVFQIVDL-GOSISDBHSA-N 1 1 471.936 3.201 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(C)CCCS2)CC1 ZINC001301931626 1066969815 /nfs/dbraw/zinc/96/98/15/1066969815.db2.gz HMYKZYVFSOTNRX-PWHSHALESA-N 1 1 451.681 3.251 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302392293 1066971825 /nfs/dbraw/zinc/97/18/25/1066971825.db2.gz LNAIAJSOLMWMNI-AWEZNQCLSA-N 1 1 470.437 3.105 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302392293 1066971834 /nfs/dbraw/zinc/97/18/34/1066971834.db2.gz LNAIAJSOLMWMNI-AWEZNQCLSA-N 1 1 470.437 3.105 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCS2)CC1 ZINC001301933498 1066972515 /nfs/dbraw/zinc/97/25/15/1066972515.db2.gz ODJOETYFTNTNOU-LJQANCHMSA-N 1 1 452.024 3.175 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001301933461 1066972532 /nfs/dbraw/zinc/97/25/32/1066972532.db2.gz NHNKYJKRJQRLFT-GXRSIYKFSA-N 1 1 463.667 3.170 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001301933528 1066973114 /nfs/dbraw/zinc/97/31/14/1066973114.db2.gz OXAXQDNHWCLRHG-MOPGFXCFSA-N 1 1 479.572 3.458 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nnc(C)s2)C[C@H]1C ZINC001301934090 1066974348 /nfs/dbraw/zinc/97/43/48/1066974348.db2.gz UNXVAGRGEGUVPQ-QGZVFWFLSA-N 1 1 473.672 3.244 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C(C)C)CC1 ZINC001302394426 1066974624 /nfs/dbraw/zinc/97/46/24/1066974624.db2.gz POQIQJCMSOZFTH-UHFFFAOYSA-N 1 1 480.455 3.071 20 0 JGADMO CC(=O)NCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301935068 1066975530 /nfs/dbraw/zinc/97/55/30/1066975530.db2.gz CUZXPLUONQYHRV-HXUWFJFHSA-N 1 1 468.646 3.311 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001302398147 1066977949 /nfs/dbraw/zinc/97/79/49/1066977949.db2.gz JXOCTWCSLOGQFP-UHFFFAOYSA-N 1 1 493.631 3.230 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001301937238 1066980191 /nfs/dbraw/zinc/98/01/91/1066980191.db2.gz KJFHKPJYWURXCS-GMKZXUHWSA-N 1 1 482.673 3.434 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302405366 1066986927 /nfs/dbraw/zinc/98/69/27/1066986927.db2.gz HLJLDOOYOPCYGV-HXUWFJFHSA-N 1 1 489.064 3.140 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001301940863 1066987860 /nfs/dbraw/zinc/98/78/60/1066987860.db2.gz KYQHOLNKAPJNTJ-VXKWHMMOSA-N 1 1 488.702 3.415 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1OC ZINC001302406349 1066987852 /nfs/dbraw/zinc/98/78/52/1066987852.db2.gz VBNAUJSHSITTOM-MZYLBHOOSA-N 1 1 484.645 3.262 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1OC ZINC001302410762 1066995131 /nfs/dbraw/zinc/99/51/31/1066995131.db2.gz TZTYTKDKGZTZMD-PTUXOGIPSA-N 1 1 450.587 3.101 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302412068 1066997130 /nfs/dbraw/zinc/99/71/30/1066997130.db2.gz RKAKSVRTNITBTR-NRFANRHFSA-N 1 1 467.593 3.285 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001302418861 1067003014 /nfs/dbraw/zinc/00/30/14/1067003014.db2.gz LLERHCHYNRUWOZ-HBMCJLEFSA-N 1 1 478.037 3.481 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302421559 1067007268 /nfs/dbraw/zinc/00/72/68/1067007268.db2.gz MDUOJUQAWBAYEG-HXUWFJFHSA-N 1 1 455.651 3.145 20 0 JGADMO COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCNc3cccc(C)[nH+]3)c2)cc1 ZINC001303958643 1067013107 /nfs/dbraw/zinc/01/31/07/1067013107.db2.gz HHOIXQFQZHYNSO-UHFFFAOYSA-N 1 1 454.552 3.350 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccccc3Cl)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001303958727 1067013405 /nfs/dbraw/zinc/01/34/05/1067013405.db2.gz HFXQXVAFZVDGHW-UHFFFAOYSA-N 1 1 475.037 3.191 20 0 JGADMO CC1(C)CCC[N@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303960776 1067015069 /nfs/dbraw/zinc/01/50/69/1067015069.db2.gz XBHBBIXLSCRUPY-IRXDYDNUSA-N 1 1 477.597 3.081 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303960776 1067015081 /nfs/dbraw/zinc/01/50/81/1067015081.db2.gz XBHBBIXLSCRUPY-IRXDYDNUSA-N 1 1 477.597 3.081 20 0 JGADMO CC1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)CC(C)(C)O1 ZINC001303969705 1067021382 /nfs/dbraw/zinc/02/13/82/1067021382.db2.gz YNVMSOIMUABWML-KRWDZBQOSA-N 1 1 495.466 3.276 20 0 JGADMO CC1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)CC(C)(C)O1 ZINC001303969706 1067021475 /nfs/dbraw/zinc/02/14/75/1067021475.db2.gz YNVMSOIMUABWML-QGZVFWFLSA-N 1 1 495.466 3.276 20 0 JGADMO CC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001303979393 1067026885 /nfs/dbraw/zinc/02/68/85/1067026885.db2.gz IAUXLTRKXDBVNN-UHFFFAOYSA-N 1 1 478.435 3.434 20 0 JGADMO CC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001303979393 1067026901 /nfs/dbraw/zinc/02/69/01/1067026901.db2.gz IAUXLTRKXDBVNN-UHFFFAOYSA-N 1 1 478.435 3.434 20 0 JGADMO CC(C)C(=O)NCCCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001302442737 1067040029 /nfs/dbraw/zinc/04/00/29/1067040029.db2.gz BGJSEPKEAJYVIA-UHFFFAOYSA-N 1 1 472.684 3.476 20 0 JGADMO CC1=C(Br)CN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCc3ccccc3C2)CC1 ZINC001304000236 1067043630 /nfs/dbraw/zinc/04/36/30/1067043630.db2.gz XKKRAMWUVZTNGG-UHFFFAOYSA-N 1 1 487.446 3.354 20 0 JGADMO CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001304003179 1067045745 /nfs/dbraw/zinc/04/57/45/1067045745.db2.gz FRSMJOAWSQXZGY-NRFANRHFSA-N 1 1 489.462 3.500 20 0 JGADMO Cc1occc1C(=O)NC1CCN(c2nnc(C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001304005574 1067048181 /nfs/dbraw/zinc/04/81/81/1067048181.db2.gz GDPWJFMKNIDLBN-GOSISDBHSA-N 1 1 450.587 3.407 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302451984 1067053513 /nfs/dbraw/zinc/05/35/13/1067053513.db2.gz PMSPYUCGBAAQEC-UHFFFAOYSA-N 1 1 468.602 3.011 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302451984 1067053531 /nfs/dbraw/zinc/05/35/31/1067053531.db2.gz PMSPYUCGBAAQEC-UHFFFAOYSA-N 1 1 468.602 3.011 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302452486 1067054223 /nfs/dbraw/zinc/05/42/23/1067054223.db2.gz UTRZAVYWDFHWNO-UHFFFAOYSA-N 1 1 482.673 3.067 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCOCC2)c1C ZINC001304011670 1067055081 /nfs/dbraw/zinc/05/50/81/1067055081.db2.gz XAWMOVSHLTVARB-UHFFFAOYSA-N 1 1 498.031 3.408 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001304012129 1067055231 /nfs/dbraw/zinc/05/52/31/1067055231.db2.gz BKTNQZBMYSDRIZ-PKOBYXMFSA-N 1 1 474.631 3.109 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+]2CC=CCC2)c1C ZINC001304015582 1067059132 /nfs/dbraw/zinc/05/91/32/1067059132.db2.gz PJALHURABVMGST-OAQYLSRUSA-N 1 1 454.619 3.258 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304015999 1067059242 /nfs/dbraw/zinc/05/92/42/1067059242.db2.gz SGDGZGJUYXZIEC-QFQXNSOFSA-N 1 1 481.645 3.088 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001304021221 1067065237 /nfs/dbraw/zinc/06/52/37/1067065237.db2.gz XZSFBONESBHFEH-QUCCMNQESA-N 1 1 465.602 3.297 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001302462079 1067065492 /nfs/dbraw/zinc/06/54/92/1067065492.db2.gz ZOIVAHDYWPIBQP-SFHVURJKSA-N 1 1 486.020 3.178 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC001304023320 1067068178 /nfs/dbraw/zinc/06/81/78/1067068178.db2.gz LOBRFVUFUCAHFN-MDNUFGMLSA-N 1 1 498.672 3.238 20 0 JGADMO CC(C)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001302480107 1067080454 /nfs/dbraw/zinc/08/04/54/1067080454.db2.gz YWLKUFQZFHJNOQ-QFIPXVFZSA-N 1 1 468.646 3.052 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCOCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304031988 1067080911 /nfs/dbraw/zinc/08/09/11/1067080911.db2.gz YTXXMFQXDREFJT-FGZHOGPDSA-N 1 1 457.619 3.228 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302485912 1067084890 /nfs/dbraw/zinc/08/48/90/1067084890.db2.gz GJNLSRHGDIUMRL-NXMSCROESA-N 1 1 481.588 3.499 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302485912 1067084904 /nfs/dbraw/zinc/08/49/04/1067084904.db2.gz GJNLSRHGDIUMRL-NXMSCROESA-N 1 1 481.588 3.499 20 0 JGADMO CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041949 1067085212 /nfs/dbraw/zinc/08/52/12/1067085212.db2.gz AHZPXPPEXDXUCG-MSOLQXFVSA-N 1 1 454.384 3.429 20 0 JGADMO Cc1nc(CN2CCN(c3nnc(Cc4ccccc4F)n3CC[N@H+](C)C(C)C)CC2)oc1C ZINC001304044524 1067086983 /nfs/dbraw/zinc/08/69/83/1067086983.db2.gz GEKNGJLIPLNLCY-UHFFFAOYSA-N 1 1 469.609 3.275 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001304060107 1067103630 /nfs/dbraw/zinc/10/36/30/1067103630.db2.gz WXDDAASKVFFEDT-LJQANCHMSA-N 1 1 493.747 3.465 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302505155 1067107447 /nfs/dbraw/zinc/10/74/47/1067107447.db2.gz SDYQBUMXEGIWQN-SANMLTNESA-N 1 1 468.646 3.235 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302505155 1067107449 /nfs/dbraw/zinc/10/74/49/1067107449.db2.gz SDYQBUMXEGIWQN-SANMLTNESA-N 1 1 468.646 3.235 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302510587 1067118686 /nfs/dbraw/zinc/11/86/86/1067118686.db2.gz MJYJGBCHCPQWNR-QZNHQXDQSA-N 1 1 474.694 3.280 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001302511117 1067120366 /nfs/dbraw/zinc/12/03/66/1067120366.db2.gz QLLARXYHNPEJAX-HXUWFJFHSA-N 1 1 476.710 3.355 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@@H+](C)C2CC2)cnn1C ZINC001304079560 1067124381 /nfs/dbraw/zinc/12/43/81/1067124381.db2.gz OBSHSTMPICUAHN-CYBMUJFWSA-N 1 1 461.412 3.197 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001304082962 1067130141 /nfs/dbraw/zinc/13/01/41/1067130141.db2.gz YVKVOUVBHAZCEJ-QGZVFWFLSA-N 1 1 462.023 3.242 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CC(C)(C)[NH+]2CCOCC2)cnn1C ZINC001304083208 1067130234 /nfs/dbraw/zinc/13/02/34/1067130234.db2.gz FFKKBLFEPSNEHE-UHFFFAOYSA-N 1 1 458.010 3.388 20 0 JGADMO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302514787 1067132174 /nfs/dbraw/zinc/13/21/74/1067132174.db2.gz GEKOIFCXQHVJSA-GIVPXCGWSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302517106 1067136398 /nfs/dbraw/zinc/13/63/98/1067136398.db2.gz ZDGHXIDUPRNZMV-PMACEKPBSA-N 1 1 462.639 3.006 20 0 JGADMO CC(C)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302517108 1067136439 /nfs/dbraw/zinc/13/64/39/1067136439.db2.gz ZDGHXIDUPRNZMV-VQTJNVASSA-N 1 1 462.639 3.006 20 0 JGADMO Cc1c(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1CC(C)C ZINC001304099306 1067142222 /nfs/dbraw/zinc/14/22/22/1067142222.db2.gz XEIFUOXLXILLJU-XMMPIXPASA-N 1 1 492.672 3.336 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCOCC1 ZINC001302522905 1067142830 /nfs/dbraw/zinc/14/28/30/1067142830.db2.gz GNZYBNPBPSZMRR-JOCHJYFZSA-N 1 1 478.726 3.018 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[NH+]1CCOCC1 ZINC001302523371 1067144014 /nfs/dbraw/zinc/14/40/14/1067144014.db2.gz JCKURAAPUTYYGJ-XYDJYEFFSA-N 1 1 489.686 3.250 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC001302523997 1067145104 /nfs/dbraw/zinc/14/51/04/1067145104.db2.gz AZCDXJXMIRCRRD-NFBKMPQASA-N 1 1 459.610 3.228 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001302524482 1067145851 /nfs/dbraw/zinc/14/58/51/1067145851.db2.gz OSUCHIXPPXLQJQ-GHTZIAJQSA-N 1 1 463.026 3.214 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001302524279 1067145955 /nfs/dbraw/zinc/14/59/55/1067145955.db2.gz DVBZSGYHAXDUHZ-NRFANRHFSA-N 1 1 462.038 3.494 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001302524488 1067146003 /nfs/dbraw/zinc/14/60/03/1067146003.db2.gz OSUCHIXPPXLQJQ-WIYYLYMNSA-N 1 1 463.026 3.214 20 0 JGADMO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001302525070 1067146524 /nfs/dbraw/zinc/14/65/24/1067146524.db2.gz ANEFTCFATCQADJ-FHWLQOOXSA-N 1 1 494.706 3.401 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302525247 1067147358 /nfs/dbraw/zinc/14/73/58/1067147358.db2.gz LYCADPPLIGCNJB-YADHBBJMSA-N 1 1 483.661 3.488 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC001302525601 1067148689 /nfs/dbraw/zinc/14/86/89/1067148689.db2.gz OKVSCOWSXKKPPM-OAQYLSRUSA-N 1 1 475.037 3.316 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1)[NH+]1CCOCC1 ZINC001302526471 1067151187 /nfs/dbraw/zinc/15/11/87/1067151187.db2.gz VSMFPJAYPWACTR-JBLRYNOESA-N 1 1 489.686 3.074 20 0 JGADMO CC(C)[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001302527197 1067153037 /nfs/dbraw/zinc/15/30/37/1067153037.db2.gz AKJHQELDBIIVGS-JRFVFWCSSA-N 1 1 455.647 3.017 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302527125 1067153121 /nfs/dbraw/zinc/15/31/21/1067153121.db2.gz XOZMJOPXSKQWEK-SFTDATJTSA-N 1 1 476.710 3.355 20 0 JGADMO CC(C)[C@H](Cn1c(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001302528874 1067157112 /nfs/dbraw/zinc/15/71/12/1067157112.db2.gz NNVGPBMPVVRKNY-AQNXPRMDSA-N 1 1 478.682 3.282 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001302529500 1067159022 /nfs/dbraw/zinc/15/90/22/1067159022.db2.gz YQQMLAXOZIEWNE-CTNGQTDRSA-N 1 1 476.666 3.033 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302529515 1067159091 /nfs/dbraw/zinc/15/90/91/1067159091.db2.gz YVDWQHYSEOYIMX-GOTSBHOMSA-N 1 1 488.721 3.499 20 0 JGADMO CS[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001302535776 1067166209 /nfs/dbraw/zinc/16/62/09/1067166209.db2.gz PVUVYOVLFAAXBZ-YADARESESA-N 1 1 472.659 3.200 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc[nH]2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001304133905 1067172589 /nfs/dbraw/zinc/17/25/89/1067172589.db2.gz QGWSHPFZFPOBMO-UHFFFAOYSA-N 1 1 465.602 3.076 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc[nH]2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001304133905 1067172594 /nfs/dbraw/zinc/17/25/94/1067172594.db2.gz QGWSHPFZFPOBMO-UHFFFAOYSA-N 1 1 465.602 3.076 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001304134846 1067173770 /nfs/dbraw/zinc/17/37/70/1067173770.db2.gz ABAVZMIIGTVDEH-OAQYLSRUSA-N 1 1 465.602 3.459 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CC=CCC1 ZINC001304135234 1067173793 /nfs/dbraw/zinc/17/37/93/1067173793.db2.gz FDSDUFBLMSFWRB-UHFFFAOYSA-N 1 1 459.598 3.218 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001304134845 1067173805 /nfs/dbraw/zinc/17/38/05/1067173805.db2.gz ABAVZMIIGTVDEH-NRFANRHFSA-N 1 1 465.602 3.459 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001304135959 1067174272 /nfs/dbraw/zinc/17/42/72/1067174272.db2.gz KGSGJNWALONSRM-KNQAVFIVSA-N 1 1 495.672 3.213 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304140961 1067182976 /nfs/dbraw/zinc/18/29/76/1067182976.db2.gz VHPHADULWLAJFW-NBGIEHNGSA-N 1 1 491.080 3.285 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304140961 1067182980 /nfs/dbraw/zinc/18/29/80/1067182980.db2.gz VHPHADULWLAJFW-NBGIEHNGSA-N 1 1 491.080 3.285 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C2CCCC2)cn1 ZINC001302551153 1067187284 /nfs/dbraw/zinc/18/72/84/1067187284.db2.gz AHXGYTFAZYAOFZ-UHFFFAOYSA-N 1 1 477.617 3.350 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@H]2C)cn1 ZINC001302551724 1067188294 /nfs/dbraw/zinc/18/82/94/1067188294.db2.gz KEBFSTOUGVUQMU-QGZVFWFLSA-N 1 1 471.009 3.264 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@H]2C)cn1 ZINC001302551724 1067188302 /nfs/dbraw/zinc/18/83/02/1067188302.db2.gz KEBFSTOUGVUQMU-QGZVFWFLSA-N 1 1 471.009 3.264 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(Cc4ccccn4)n3CC[N@H+](C)C(C)C)CC2)c(C)o1 ZINC001304146786 1067190849 /nfs/dbraw/zinc/19/08/49/1067190849.db2.gz JWPXICRRHMIRTH-UHFFFAOYSA-N 1 1 479.629 3.213 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCCC(C)(C)C3)CC2)no1 ZINC001304147067 1067191888 /nfs/dbraw/zinc/19/18/88/1067191888.db2.gz WUIXHEGBQSVTRC-UHFFFAOYSA-N 1 1 457.623 3.219 20 0 JGADMO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302560424 1067201240 /nfs/dbraw/zinc/20/12/40/1067201240.db2.gz DOWZPYWXOOQVET-IMSXRSKXSA-N 1 1 484.714 3.308 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001302563618 1067203516 /nfs/dbraw/zinc/20/35/16/1067203516.db2.gz SSHOVKBCKIQATR-ROUUACIJSA-N 1 1 457.710 3.021 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302567939 1067207293 /nfs/dbraw/zinc/20/72/93/1067207293.db2.gz CIFLWSYVXIFGEW-DNQXCXABSA-N 1 1 481.689 3.449 20 0 JGADMO CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001302569259 1067208656 /nfs/dbraw/zinc/20/86/56/1067208656.db2.gz GUKREVAZHGGYDN-LEWJYISDSA-N 1 1 480.579 3.375 20 0 JGADMO CS[C@H](C)Cn1c(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001302570954 1067210143 /nfs/dbraw/zinc/21/01/43/1067210143.db2.gz UGYQYCHLKWPMKB-FFHOAYQKSA-N 1 1 494.750 3.065 20 0 JGADMO Cc1nc(COc2ccccc2C(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)no1 ZINC001304163230 1067210254 /nfs/dbraw/zinc/21/02/54/1067210254.db2.gz CFYUJGRCHIXWOD-UHFFFAOYSA-N 1 1 450.539 3.322 20 0 JGADMO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302570949 1067210727 /nfs/dbraw/zinc/21/07/27/1067210727.db2.gz DHDIAYUZDNCBFG-VXKWHMMOSA-N 1 1 490.718 3.330 20 0 JGADMO CC(C)c1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302571785 1067211684 /nfs/dbraw/zinc/21/16/84/1067211684.db2.gz GOHZSJMCHQVGNQ-OAQYLSRUSA-N 1 1 469.678 3.083 20 0 JGADMO CC(C)c1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302571785 1067211686 /nfs/dbraw/zinc/21/16/86/1067211686.db2.gz GOHZSJMCHQVGNQ-OAQYLSRUSA-N 1 1 469.678 3.083 20 0 JGADMO CC(C)c1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302571785 1067211691 /nfs/dbraw/zinc/21/16/91/1067211691.db2.gz GOHZSJMCHQVGNQ-OAQYLSRUSA-N 1 1 469.678 3.083 20 0 JGADMO CC(C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCOc1ncccc1Cl ZINC001302573992 1067213329 /nfs/dbraw/zinc/21/33/29/1067213329.db2.gz WSZXFWFTQHCAIY-UHFFFAOYSA-N 1 1 451.015 3.324 20 0 JGADMO CC(C)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302577121 1067214779 /nfs/dbraw/zinc/21/47/79/1067214779.db2.gz JIGFGQLXPLGHGW-UHFFFAOYSA-N 1 1 464.662 3.309 20 0 JGADMO CC(C)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302577121 1067214788 /nfs/dbraw/zinc/21/47/88/1067214788.db2.gz JIGFGQLXPLGHGW-UHFFFAOYSA-N 1 1 464.662 3.309 20 0 JGADMO CC(C)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302577121 1067214793 /nfs/dbraw/zinc/21/47/93/1067214793.db2.gz JIGFGQLXPLGHGW-UHFFFAOYSA-N 1 1 464.662 3.309 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304168351 1067215104 /nfs/dbraw/zinc/21/51/04/1067215104.db2.gz FSZRSBJAGPBGGN-UPVQGACJSA-N 1 1 471.646 3.303 20 0 JGADMO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577682 1067215697 /nfs/dbraw/zinc/21/56/97/1067215697.db2.gz KEHYFQDWJMOHAW-RBBKRZOGSA-N 1 1 489.734 3.282 20 0 JGADMO CS[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C(C)(C)C ZINC001302581262 1067219544 /nfs/dbraw/zinc/21/95/44/1067219544.db2.gz RKNRTILHNXYMOD-TZIWHRDSSA-N 1 1 475.707 3.232 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCOC(C)C)c1 ZINC001304172470 1067220688 /nfs/dbraw/zinc/22/06/88/1067220688.db2.gz YTSDLRQMYKUZGL-FYYLOGMGSA-N 1 1 457.619 3.056 20 0 JGADMO CS[C@@H](Cn1c(C2CCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302582300 1067220968 /nfs/dbraw/zinc/22/09/68/1067220968.db2.gz XWDAEUYTQKEFPI-FQEVSTJZSA-N 1 1 462.708 3.458 20 0 JGADMO CS[C@@H](Cn1c(C2CCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302582300 1067220975 /nfs/dbraw/zinc/22/09/75/1067220975.db2.gz XWDAEUYTQKEFPI-FQEVSTJZSA-N 1 1 462.708 3.458 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001304174758 1067223464 /nfs/dbraw/zinc/22/34/64/1067223464.db2.gz LOGUKBCNSUHPQE-UHFFFAOYSA-N 1 1 498.672 3.067 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 ZINC001304178835 1067228285 /nfs/dbraw/zinc/22/82/85/1067228285.db2.gz NXDYJPCHRKUZDC-OAQYLSRUSA-N 1 1 489.686 3.219 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)N2CCOCC2)c1 ZINC001304179561 1067228810 /nfs/dbraw/zinc/22/88/10/1067228810.db2.gz WSUSFMRKWFKCJF-HSZRJFAPSA-N 1 1 470.662 3.115 20 0 JGADMO Cc1cc(C)cc(OCCn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC001304184804 1067235687 /nfs/dbraw/zinc/23/56/87/1067235687.db2.gz HUIJCAFGYJVIKG-VWLOTQADSA-N 1 1 484.689 3.329 20 0 JGADMO CC(C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302607013 1067241258 /nfs/dbraw/zinc/24/12/58/1067241258.db2.gz NRXVYSSVPGVNGI-MAUKXSAKSA-N 1 1 453.509 3.347 20 0 JGADMO Cc1cc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001304191216 1067241373 /nfs/dbraw/zinc/24/13/73/1067241373.db2.gz YEKDQYQAWGBYAH-LJQANCHMSA-N 1 1 463.630 3.494 20 0 JGADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC001302611720 1067245418 /nfs/dbraw/zinc/24/54/18/1067245418.db2.gz ZXOFQBNSHSTYNW-UKILVPOCSA-N 1 1 451.611 3.465 20 0 JGADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC001302611720 1067245426 /nfs/dbraw/zinc/24/54/26/1067245426.db2.gz ZXOFQBNSHSTYNW-UKILVPOCSA-N 1 1 451.611 3.465 20 0 JGADMO Cc1cc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2n1 ZINC001304195639 1067245444 /nfs/dbraw/zinc/24/54/44/1067245444.db2.gz FTGKTIMEXYCGIH-NRFANRHFSA-N 1 1 465.646 3.299 20 0 JGADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC001302611719 1067245561 /nfs/dbraw/zinc/24/55/61/1067245561.db2.gz ZXOFQBNSHSTYNW-NOZRDPDXSA-N 1 1 451.611 3.465 20 0 JGADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC001302611719 1067245569 /nfs/dbraw/zinc/24/55/69/1067245569.db2.gz ZXOFQBNSHSTYNW-NOZRDPDXSA-N 1 1 451.611 3.465 20 0 JGADMO Cc1cc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304197681 1067246938 /nfs/dbraw/zinc/24/69/38/1067246938.db2.gz WXGYAUSTQCPIMG-UHFFFAOYSA-N 1 1 463.630 3.447 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302628826 1067259008 /nfs/dbraw/zinc/25/90/08/1067259008.db2.gz JUMWPMOMTMAICW-NHCUHLMSSA-N 1 1 478.682 3.332 20 0 JGADMO Cc1cc(Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC001304220742 1067261261 /nfs/dbraw/zinc/26/12/61/1067261261.db2.gz AWJWWXPQYLJLGQ-BGYRXZFFSA-N 1 1 452.578 3.305 20 0 JGADMO Cc1cc(Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC001304220742 1067261268 /nfs/dbraw/zinc/26/12/68/1067261268.db2.gz AWJWWXPQYLJLGQ-BGYRXZFFSA-N 1 1 452.578 3.305 20 0 JGADMO Cc1cc(CN2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)CC2)no1 ZINC001304229554 1067266799 /nfs/dbraw/zinc/26/67/99/1067266799.db2.gz CZMHUZLHODYBAY-QFIPXVFZSA-N 1 1 457.667 3.463 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCNC(=O)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001304232217 1067269683 /nfs/dbraw/zinc/26/96/83/1067269683.db2.gz DQIBRZJEYGBJDE-UHFFFAOYSA-N 1 1 489.064 3.452 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304232448 1067270168 /nfs/dbraw/zinc/27/01/68/1067270168.db2.gz QYGOBSOHYFZDAS-CPJSRVTESA-N 1 1 492.064 3.181 20 0 JGADMO CSc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001302648345 1067276117 /nfs/dbraw/zinc/27/61/17/1067276117.db2.gz AHNXWTWVKLLSJS-UHFFFAOYSA-N 1 1 456.660 3.286 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001302654369 1067281932 /nfs/dbraw/zinc/28/19/32/1067281932.db2.gz HFMWYSKHERSRPG-FQEVSTJZSA-N 1 1 488.702 3.004 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302654295 1067282149 /nfs/dbraw/zinc/28/21/49/1067282149.db2.gz GBQBNLVXGWYCQP-RTWAWAEBSA-N 1 1 478.682 3.380 20 0 JGADMO Cc1cccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001304247191 1067282255 /nfs/dbraw/zinc/28/22/55/1067282255.db2.gz FGQHSNYFIRDPCF-QFIPXVFZSA-N 1 1 468.646 3.312 20 0 JGADMO Cc1cccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001304247191 1067282259 /nfs/dbraw/zinc/28/22/59/1067282259.db2.gz FGQHSNYFIRDPCF-QFIPXVFZSA-N 1 1 468.646 3.312 20 0 JGADMO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302661358 1067288534 /nfs/dbraw/zinc/28/85/34/1067288534.db2.gz DDHXYKQEXPFESR-GOTSBHOMSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302661358 1067288545 /nfs/dbraw/zinc/28/85/45/1067288545.db2.gz DDHXYKQEXPFESR-GOTSBHOMSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302661359 1067288585 /nfs/dbraw/zinc/28/85/85/1067288585.db2.gz DDHXYKQEXPFESR-PKTZIBPZSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302661359 1067288598 /nfs/dbraw/zinc/28/85/98/1067288598.db2.gz DDHXYKQEXPFESR-PKTZIBPZSA-N 1 1 489.686 3.096 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001302663467 1067290310 /nfs/dbraw/zinc/29/03/10/1067290310.db2.gz LFWNAHLSHINKOP-QFIPXVFZSA-N 1 1 486.686 3.019 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302667703 1067294752 /nfs/dbraw/zinc/29/47/52/1067294752.db2.gz YPTQANZKUVBKET-VAMGGRTRSA-N 1 1 486.752 3.122 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302667359 1067294860 /nfs/dbraw/zinc/29/48/60/1067294860.db2.gz XVBHNRHXNZWXSY-SGIRGMQISA-N 1 1 495.734 3.397 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302667720 1067295109 /nfs/dbraw/zinc/29/51/09/1067295109.db2.gz YSZMBLKNTKLWSU-LLBVYWAGSA-N 1 1 463.623 3.346 20 0 JGADMO CC(C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001302668305 1067295219 /nfs/dbraw/zinc/29/52/19/1067295219.db2.gz IHBNVOBDPBLGGD-UHFFFAOYSA-N 1 1 470.622 3.199 20 0 JGADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC001302673222 1067298870 /nfs/dbraw/zinc/29/88/70/1067298870.db2.gz KTLVLKRSARYUSN-PKTZIBPZSA-N 1 1 453.583 3.419 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001302674154 1067299793 /nfs/dbraw/zinc/29/97/93/1067299793.db2.gz JSYHLGLVGHEYHI-IBGZPJMESA-N 1 1 494.562 3.134 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304267864 1067300660 /nfs/dbraw/zinc/30/06/60/1067300660.db2.gz BDCRAIDEXOHPAK-SANMLTNESA-N 1 1 468.646 3.346 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302675596 1067301243 /nfs/dbraw/zinc/30/12/43/1067301243.db2.gz ZFZARVUASWZVFA-UHFFFAOYSA-N 1 1 452.647 3.415 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304273960 1067310078 /nfs/dbraw/zinc/31/00/78/1067310078.db2.gz LWESCDNCDJRREX-NRFANRHFSA-N 1 1 498.672 3.067 20 0 JGADMO Cc1ccc([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304275406 1067312852 /nfs/dbraw/zinc/31/28/52/1067312852.db2.gz QBYOIWCWGOPBAY-NRFANRHFSA-N 1 1 468.646 3.060 20 0 JGADMO Cc1ccc([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304275406 1067312863 /nfs/dbraw/zinc/31/28/63/1067312863.db2.gz QBYOIWCWGOPBAY-NRFANRHFSA-N 1 1 468.646 3.060 20 0 JGADMO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC001304275961 1067313663 /nfs/dbraw/zinc/31/36/63/1067313663.db2.gz QXJSWXKNEZIHSG-JQVVWYNYSA-N 1 1 470.643 3.209 20 0 JGADMO CSCc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001302689379 1067314148 /nfs/dbraw/zinc/31/41/48/1067314148.db2.gz LJSJCDWGQFAUFT-OAQYLSRUSA-N 1 1 491.727 3.402 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302689544 1067314324 /nfs/dbraw/zinc/31/43/24/1067314324.db2.gz MFMAQAFVNSUPOA-OAQYLSRUSA-N 1 1 493.622 3.292 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC001304276857 1067315705 /nfs/dbraw/zinc/31/57/05/1067315705.db2.gz ALGNXNISKJDBFI-PKTZIBPZSA-N 1 1 489.686 3.189 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691792 1067316951 /nfs/dbraw/zinc/31/69/51/1067316951.db2.gz FUDQYPOELDOPOR-LADGPHEKSA-N 1 1 481.689 3.055 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691792 1067316963 /nfs/dbraw/zinc/31/69/63/1067316963.db2.gz FUDQYPOELDOPOR-LADGPHEKSA-N 1 1 481.689 3.055 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302691796 1067317012 /nfs/dbraw/zinc/31/70/12/1067317012.db2.gz FUDQYPOELDOPOR-VWNXMTODSA-N 1 1 481.689 3.055 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302691796 1067317023 /nfs/dbraw/zinc/31/70/23/1067317023.db2.gz FUDQYPOELDOPOR-VWNXMTODSA-N 1 1 481.689 3.055 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001302691649 1067317137 /nfs/dbraw/zinc/31/71/37/1067317137.db2.gz ZCDHSOGVHZNPBI-GIFXNVAJSA-N 1 1 485.673 3.415 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302692249 1067317421 /nfs/dbraw/zinc/31/74/21/1067317421.db2.gz JBQGWAKGLFFNLW-KNQAVFIVSA-N 1 1 467.536 3.153 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302692250 1067317548 /nfs/dbraw/zinc/31/75/48/1067317548.db2.gz JBQGWAKGLFFNLW-SIKLNZKXSA-N 1 1 467.536 3.153 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001304278542 1067318261 /nfs/dbraw/zinc/31/82/61/1067318261.db2.gz SBHSJWDJVGNLFA-HBMCJLEFSA-N 1 1 477.675 3.216 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)S[C@@H](C)C2)[NH+](C)C)cc1 ZINC001304278508 1067318392 /nfs/dbraw/zinc/31/83/92/1067318392.db2.gz MBYBLIUVAIYKTK-YHELAOLJSA-N 1 1 477.700 3.122 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001302693579 1067318482 /nfs/dbraw/zinc/31/84/82/1067318482.db2.gz UXFWCFBGAVIXIW-IBGZPJMESA-N 1 1 452.525 3.359 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001304279686 1067320157 /nfs/dbraw/zinc/32/01/57/1067320157.db2.gz DHNZBKOUJFULFF-DEOSSOPVSA-N 1 1 471.005 3.225 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001304280517 1067321025 /nfs/dbraw/zinc/32/10/25/1067321025.db2.gz ZITXFEMQFNZHOF-JOCHJYFZSA-N 1 1 479.629 3.401 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304281291 1067322034 /nfs/dbraw/zinc/32/20/34/1067322034.db2.gz FHHREYHXVHQDOH-ISCCLHIJSA-N 1 1 498.672 3.063 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302697855 1067323264 /nfs/dbraw/zinc/32/32/64/1067323264.db2.gz BJAYRMQFHGXEGZ-FPOVZHCZSA-N 1 1 479.572 3.428 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302698433 1067323779 /nfs/dbraw/zinc/32/37/79/1067323779.db2.gz WZTVTQXAUVSPIS-NVXWUHKLSA-N 1 1 483.480 3.099 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[NH+]2CCOCC2)c1 ZINC001304283504 1067324589 /nfs/dbraw/zinc/32/45/89/1067324589.db2.gz UUQYSTIGYJJVDS-UHFFFAOYSA-N 1 1 487.645 3.032 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC(Cn4cncn4)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001304286415 1067327964 /nfs/dbraw/zinc/32/79/64/1067327964.db2.gz UCPGAACSAQOPQG-UHFFFAOYSA-N 1 1 466.634 3.322 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001304286276 1067328033 /nfs/dbraw/zinc/32/80/33/1067328033.db2.gz BQXZJINBLSHYMC-XXBNENTESA-N 1 1 497.562 3.088 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302708180 1067329962 /nfs/dbraw/zinc/32/99/62/1067329962.db2.gz VRZUJCCRVFQIQA-HJNYFJLDSA-N 1 1 491.727 3.423 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001304287770 1067330512 /nfs/dbraw/zinc/33/05/12/1067330512.db2.gz KBDHIRYYJSFPEW-FGZHOGPDSA-N 1 1 489.686 3.218 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001304288082 1067331257 /nfs/dbraw/zinc/33/12/57/1067331257.db2.gz QLXMUCYGYANQAF-HFZDXXHNSA-N 1 1 471.646 3.324 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304289502 1067334867 /nfs/dbraw/zinc/33/48/67/1067334867.db2.gz ZEGZQYWPMNVBML-BHIFYINESA-N 1 1 498.672 3.063 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(S(=O)(=O)Nc4ccccc4F)c[nH]3)C2)cc1 ZINC001302720650 1067336862 /nfs/dbraw/zinc/33/68/62/1067336862.db2.gz AJRFDYWLJVAEBW-SFHVURJKSA-N 1 1 456.543 3.267 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001304290383 1067337192 /nfs/dbraw/zinc/33/71/92/1067337192.db2.gz FZXJIUBYMSOZCS-UNMCSNQZSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001304291635 1067339538 /nfs/dbraw/zinc/33/95/38/1067339538.db2.gz QRHJPSOXCXSOSV-FQEVSTJZSA-N 1 1 473.668 3.407 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCS(=O)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001304291636 1067339593 /nfs/dbraw/zinc/33/95/93/1067339593.db2.gz QRHJPSOXCXSOSV-HXUWFJFHSA-N 1 1 473.668 3.407 20 0 JGADMO CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001302725041 1067341078 /nfs/dbraw/zinc/34/10/78/1067341078.db2.gz MMMBDBLWEKZENH-OALUTQOASA-N 1 1 458.655 3.450 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302728404 1067344588 /nfs/dbraw/zinc/34/45/88/1067344588.db2.gz ZSLNOPZKPVOXSE-MHECFPHRSA-N 1 1 496.722 3.037 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302732537 1067346985 /nfs/dbraw/zinc/34/69/85/1067346985.db2.gz WFZMTWCIABXYCO-QFQXNSOFSA-N 1 1 490.693 3.332 20 0 JGADMO Cc1ccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001304298775 1067348397 /nfs/dbraw/zinc/34/83/97/1067348397.db2.gz RIMVKNJTNRTKQS-GOSISDBHSA-N 1 1 492.690 3.217 20 0 JGADMO Cc1ccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CCC[N@@H+](C)C2CCCCC2)o1 ZINC001304298857 1067348741 /nfs/dbraw/zinc/34/87/41/1067348741.db2.gz UFBSTFTXNKVFOL-UHFFFAOYSA-N 1 1 492.690 3.361 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC[N@@H+]2CCOCC2(C)C)o1 ZINC001304301770 1067350162 /nfs/dbraw/zinc/35/01/62/1067350162.db2.gz YOZPDSRVCFISOV-MGBGTMOVSA-N 1 1 471.627 3.331 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC[N@H+]2CCOCC2(C)C)o1 ZINC001304301770 1067350169 /nfs/dbraw/zinc/35/01/69/1067350169.db2.gz YOZPDSRVCFISOV-MGBGTMOVSA-N 1 1 471.627 3.331 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC001304301523 1067350320 /nfs/dbraw/zinc/35/03/20/1067350320.db2.gz WOLWHVOAISEYFL-LJQANCHMSA-N 1 1 466.405 3.374 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001304304192 1067352441 /nfs/dbraw/zinc/35/24/41/1067352441.db2.gz JTKMVVUULIJFJS-KDURUIRLSA-N 1 1 476.622 3.259 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001304304192 1067352452 /nfs/dbraw/zinc/35/24/52/1067352452.db2.gz JTKMVVUULIJFJS-KDURUIRLSA-N 1 1 476.622 3.259 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCNC(=O)C(C)C)cc1Br ZINC001304305751 1067353686 /nfs/dbraw/zinc/35/36/86/1067353686.db2.gz AFKWTZJBLBXYOM-HKUYNNGSSA-N 1 1 489.462 3.461 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1Br ZINC001304310623 1067358062 /nfs/dbraw/zinc/35/80/62/1067358062.db2.gz ZRVPYTBVSNQJDD-BJLQDIEVSA-N 1 1 492.462 3.476 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cccc(OCC(N)=O)c2)o1 ZINC001304310841 1067358103 /nfs/dbraw/zinc/35/81/03/1067358103.db2.gz KRVDNVDLMMBIKL-UHFFFAOYSA-N 1 1 480.613 3.316 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001304311369 1067359010 /nfs/dbraw/zinc/35/90/10/1067359010.db2.gz LCVDLIKKNZGWOS-IQGLISFBSA-N 1 1 488.633 3.403 20 0 JGADMO CSCCCCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302757385 1067361329 /nfs/dbraw/zinc/36/13/29/1067361329.db2.gz UIEJORIBRKSXPN-KNQAVFIVSA-N 1 1 462.708 3.143 20 0 JGADMO CSCCCCCn1c(CC2CC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302757389 1067361388 /nfs/dbraw/zinc/36/13/88/1067361388.db2.gz UIEJORIBRKSXPN-UGKGYDQZSA-N 1 1 462.708 3.143 20 0 JGADMO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302760414 1067362954 /nfs/dbraw/zinc/36/29/54/1067362954.db2.gz GSAJLVPLMOXGOC-PZJWPPBQSA-N 1 1 451.681 3.173 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)o1 ZINC001304316289 1067363621 /nfs/dbraw/zinc/36/36/21/1067363621.db2.gz KPYQQEAHJIXGRM-PMACEKPBSA-N 1 1 488.633 3.187 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@H](C(F)F)N2CCOCC2)o1 ZINC001304319252 1067366884 /nfs/dbraw/zinc/36/68/84/1067366884.db2.gz YDGCJQUKYKBQIR-LJQANCHMSA-N 1 1 466.577 3.123 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001304322969 1067370653 /nfs/dbraw/zinc/37/06/53/1067370653.db2.gz PYJPTWUQQYGFCC-LPHOPBHVSA-N 1 1 489.462 3.450 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001304323861 1067371716 /nfs/dbraw/zinc/37/17/16/1067371716.db2.gz YUWQBTVNKAQEPK-RDJZCZTQSA-N 1 1 475.435 3.200 20 0 JGADMO CSCCCCn1c(CCc2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302774178 1067371935 /nfs/dbraw/zinc/37/19/35/1067371935.db2.gz HTXXPIFOAQYQJJ-URXFXBBRSA-N 1 1 484.714 3.195 20 0 JGADMO CSCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001302774180 1067372011 /nfs/dbraw/zinc/37/20/11/1067372011.db2.gz HTXXPIFOAQYQJJ-ZJSXRUAMSA-N 1 1 484.714 3.195 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001302775938 1067373234 /nfs/dbraw/zinc/37/32/34/1067373234.db2.gz CFRMOFJCSDOPKR-ACRUOGEOSA-N 1 1 478.707 3.040 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001302781307 1067375640 /nfs/dbraw/zinc/37/56/40/1067375640.db2.gz KEJRTGSVUXUQCT-XZOQPEGZSA-N 1 1 459.610 3.226 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCS1 ZINC001302783754 1067376965 /nfs/dbraw/zinc/37/69/65/1067376965.db2.gz QKRVRRVRLOSTAW-FCHUYYIVSA-N 1 1 458.676 3.079 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001302785925 1067378345 /nfs/dbraw/zinc/37/83/45/1067378345.db2.gz BPHIHPQBIOVAQD-NRFANRHFSA-N 1 1 478.037 3.483 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302787468 1067379316 /nfs/dbraw/zinc/37/93/16/1067379316.db2.gz HNRNUEUVJGGLEC-RBBKRZOGSA-N 1 1 478.037 3.219 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCc2ccc(C)cc2)n1 ZINC001304334093 1067380792 /nfs/dbraw/zinc/38/07/92/1067380792.db2.gz YDRAEQDOLTUZGO-UHFFFAOYSA-N 1 1 479.673 3.485 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001304338652 1067384254 /nfs/dbraw/zinc/38/42/54/1067384254.db2.gz QNUWKTMWBAUNJO-WIOPSUGQSA-N 1 1 475.634 3.213 20 0 JGADMO CSCCCN(C)c1nnc(Cc2ccsc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302793818 1067384724 /nfs/dbraw/zinc/38/47/24/1067384724.db2.gz KLZIQIDKMGSYKS-OAQYLSRUSA-N 1 1 467.730 3.328 20 0 JGADMO CSCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302798806 1067387772 /nfs/dbraw/zinc/38/77/72/1067387772.db2.gz CBDAJHFAHPZBEE-UHFFFAOYSA-N 1 1 494.731 3.259 20 0 JGADMO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1)[NH+](C)C ZINC001302807360 1067394797 /nfs/dbraw/zinc/39/47/97/1067394797.db2.gz DTSWESUHQZANQY-LEWJYISDSA-N 1 1 476.069 3.271 20 0 JGADMO Cc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC001304356599 1067396210 /nfs/dbraw/zinc/39/62/10/1067396210.db2.gz AMPMDMRXHLQSRQ-UHFFFAOYSA-N 1 1 454.644 3.477 20 0 JGADMO Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CCOC(C)C)CC2)cn1 ZINC001304366362 1067405869 /nfs/dbraw/zinc/40/58/69/1067405869.db2.gz CVZJCPCOLYPLLZ-DHIUTWEWSA-N 1 1 470.662 3.495 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCCOC2)cc1C ZINC001304373963 1067412110 /nfs/dbraw/zinc/41/21/10/1067412110.db2.gz GSLRKGRXOSJDPS-QFIPXVFZSA-N 1 1 498.672 3.368 20 0 JGADMO CC(C)CC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001302823580 1067412480 /nfs/dbraw/zinc/41/24/80/1067412480.db2.gz AJYMXYZWTWFHHD-SFHVURJKSA-N 1 1 454.685 3.025 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2CC[NH+]2CCSCC2)cc1C ZINC001304376439 1067417598 /nfs/dbraw/zinc/41/75/98/1067417598.db2.gz YSXHLUAKOQPZSE-UHFFFAOYSA-N 1 1 460.623 3.380 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001304376718 1067418534 /nfs/dbraw/zinc/41/85/34/1067418534.db2.gz AGEUURHULHSEHE-WPYKKVEZSA-N 1 1 495.672 3.325 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001304376642 1067418669 /nfs/dbraw/zinc/41/86/69/1067418669.db2.gz BSLIMLVGEQGNRA-QFIPXVFZSA-N 1 1 481.645 3.125 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1O ZINC001302834113 1067421356 /nfs/dbraw/zinc/42/13/56/1067421356.db2.gz GCRRSKIQIDFGCH-APWZRJJASA-N 1 1 478.435 3.026 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1O ZINC001302834113 1067421358 /nfs/dbraw/zinc/42/13/58/1067421358.db2.gz GCRRSKIQIDFGCH-APWZRJJASA-N 1 1 478.435 3.026 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC001304378540 1067422395 /nfs/dbraw/zinc/42/23/95/1067422395.db2.gz NWJHMQGFYXCGOY-FUPPJEDESA-N 1 1 468.646 3.476 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CCC[NH+]2CCOCC2)cc1C ZINC001304380358 1067427771 /nfs/dbraw/zinc/42/77/71/1067427771.db2.gz YZVPSUSCHPJHNG-RXVVDRJESA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(C)(F)F)cc1C ZINC001304380334 1067427863 /nfs/dbraw/zinc/42/78/63/1067427863.db2.gz YUMCVHRIYAGGKU-UYAOXDASSA-N 1 1 476.572 3.349 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001304384030 1067433929 /nfs/dbraw/zinc/43/39/29/1067433929.db2.gz NZBLYFUGDDXRNW-SANMLTNESA-N 1 1 486.661 3.101 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C(F)(F)F ZINC001302856493 1067439509 /nfs/dbraw/zinc/43/95/09/1067439509.db2.gz QHGDSQSZJRGJBF-NXHRZFHOSA-N 1 1 456.557 3.123 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4cccnc4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001304387342 1067443185 /nfs/dbraw/zinc/44/31/85/1067443185.db2.gz QAMGBPZCZORFEX-OAQYLSRUSA-N 1 1 462.602 3.239 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3CCOCC3)C2)nc1 ZINC001304387540 1067443514 /nfs/dbraw/zinc/44/35/14/1067443514.db2.gz RQEJXUSAGFFOBG-NRFANRHFSA-N 1 1 483.661 3.146 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)C2)nc1 ZINC001304387551 1067443594 /nfs/dbraw/zinc/44/35/94/1067443594.db2.gz RVWOWLLVBGKMCO-FCHUYYIVSA-N 1 1 483.661 3.461 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCO2)n1CCNC(=O)OC(C)(C)C ZINC001302865656 1067446624 /nfs/dbraw/zinc/44/66/24/1067446624.db2.gz BGYDAVMALYXARF-TZIWHRDSSA-N 1 1 470.618 3.365 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001304388658 1067447010 /nfs/dbraw/zinc/44/70/10/1067447010.db2.gz FCKYCHSXIMVWTB-RTWAWAEBSA-N 1 1 454.619 3.286 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CCCN(C)CC(F)(F)F ZINC001302866114 1067447222 /nfs/dbraw/zinc/44/72/22/1067447222.db2.gz JRGKGJOWQVIPJS-LJQANCHMSA-N 1 1 490.578 3.274 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccncc2)n1CCOCC(F)F ZINC001302866339 1067447330 /nfs/dbraw/zinc/44/73/30/1067447330.db2.gz LAAFFAGRTZRHSP-LJQANCHMSA-N 1 1 456.541 3.256 20 0 JGADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCCCN1CCOCC1 ZINC001302866784 1067447881 /nfs/dbraw/zinc/44/78/81/1067447881.db2.gz QYFOKJAUIHGAAN-JOCHJYFZSA-N 1 1 454.663 3.399 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCCCN1CCOCC1 ZINC001302866784 1067447884 /nfs/dbraw/zinc/44/78/84/1067447884.db2.gz QYFOKJAUIHGAAN-JOCHJYFZSA-N 1 1 454.663 3.399 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CC(=O)NCC(F)(F)F ZINC001302866471 1067447900 /nfs/dbraw/zinc/44/79/00/1067447900.db2.gz NYRBUQHBWQUOTG-QGZVFWFLSA-N 1 1 466.552 3.256 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(COc2ccccc2F)n1CC(F)(F)F ZINC001302867412 1067448344 /nfs/dbraw/zinc/44/83/44/1067448344.db2.gz VAMBEIMRNAKKRA-OAHLLOKOSA-N 1 1 457.472 3.248 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304389915 1067449392 /nfs/dbraw/zinc/44/93/92/1067449392.db2.gz RTHIGDFMOOIFME-FQEVSTJZSA-N 1 1 464.618 3.007 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001304390382 1067450540 /nfs/dbraw/zinc/45/05/40/1067450540.db2.gz WJVJDRXNSJHNBD-JOCHJYFZSA-N 1 1 491.640 3.148 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001304390936 1067451148 /nfs/dbraw/zinc/45/11/48/1067451148.db2.gz ZVXJCQKRZBSFQH-NRFANRHFSA-N 1 1 451.575 3.498 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001304393114 1067452716 /nfs/dbraw/zinc/45/27/16/1067452716.db2.gz NXOPMYIFMRFXIX-CTNGQTDRSA-N 1 1 454.619 3.316 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001304393119 1067453204 /nfs/dbraw/zinc/45/32/04/1067453204.db2.gz NXOPMYIFMRFXIX-TZIWHRDSSA-N 1 1 454.619 3.316 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302871701 1067453767 /nfs/dbraw/zinc/45/37/67/1067453767.db2.gz DOSOKDDEANSBKT-DEOSSOPVSA-N 1 1 495.716 3.240 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CC=CCC2)cc1C ZINC001304396182 1067457947 /nfs/dbraw/zinc/45/79/47/1067457947.db2.gz MGGWXXKFWNMZER-UHFFFAOYSA-N 1 1 454.619 3.087 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302878472 1067460603 /nfs/dbraw/zinc/46/06/03/1067460603.db2.gz FZJXWEQOISQZCC-PMACEKPBSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302878472 1067460607 /nfs/dbraw/zinc/46/06/07/1067460607.db2.gz FZJXWEQOISQZCC-PMACEKPBSA-N 1 1 478.682 3.327 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001304399638 1067462821 /nfs/dbraw/zinc/46/28/21/1067462821.db2.gz HICWXNQSERHKQC-FYYLOGMGSA-N 1 1 457.619 3.139 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1ccc(F)c(F)c1F ZINC001302881670 1067463066 /nfs/dbraw/zinc/46/30/66/1067463066.db2.gz JDVWXFYZZKCKAF-QHCPKHFHSA-N 1 1 451.537 3.438 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304400153 1067463348 /nfs/dbraw/zinc/46/33/48/1067463348.db2.gz RSCYMLUDUVRPSW-UHFFFAOYSA-N 1 1 454.575 3.209 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304400153 1067463356 /nfs/dbraw/zinc/46/33/56/1067463356.db2.gz RSCYMLUDUVRPSW-UHFFFAOYSA-N 1 1 454.575 3.209 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304402760 1067464718 /nfs/dbraw/zinc/46/47/18/1067464718.db2.gz VEPXIFKZCXDJEO-GOTSBHOMSA-N 1 1 471.646 3.448 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCOC2)cc1C ZINC001304404841 1067467242 /nfs/dbraw/zinc/46/72/42/1067467242.db2.gz UNQVCTVZBIQHNF-XPWALMASSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCOC2)cc1C ZINC001304404841 1067467247 /nfs/dbraw/zinc/46/72/47/1067467247.db2.gz UNQVCTVZBIQHNF-XPWALMASSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCSCCCO)cc1C ZINC001304404654 1067467360 /nfs/dbraw/zinc/46/73/60/1067467360.db2.gz QPZZKFNIGILKMK-LEWJYISDSA-N 1 1 459.660 3.262 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCSCCCO)cc1C ZINC001304404662 1067467395 /nfs/dbraw/zinc/46/73/95/1067467395.db2.gz QPZZKFNIGILKMK-SFTDATJTSA-N 1 1 459.660 3.262 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2nccnc2C)cc1 ZINC001304404862 1067467825 /nfs/dbraw/zinc/46/78/25/1067467825.db2.gz VFIOINXQZVTRIT-UHFFFAOYSA-N 1 1 479.629 3.054 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2nccnc2C)cc1 ZINC001304404862 1067467831 /nfs/dbraw/zinc/46/78/31/1067467831.db2.gz VFIOINXQZVTRIT-UHFFFAOYSA-N 1 1 479.629 3.054 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304406109 1067470150 /nfs/dbraw/zinc/47/01/50/1067470150.db2.gz AUKIBFLSVVZXPT-RLWLMLJZSA-N 1 1 468.646 3.296 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001304406602 1067470574 /nfs/dbraw/zinc/47/05/74/1067470574.db2.gz SURISGIXWKTTGW-YADHBBJMSA-N 1 1 468.646 3.405 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001302892093 1067472150 /nfs/dbraw/zinc/47/21/50/1067472150.db2.gz ALLKKSLXXRYHHM-NRFANRHFSA-N 1 1 469.678 3.355 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304409166 1067474384 /nfs/dbraw/zinc/47/43/84/1067474384.db2.gz YOBMUWSSJVDHAK-XJUOHMSHSA-N 1 1 457.619 3.136 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCOC(C)C)cc1C ZINC001304409631 1067475380 /nfs/dbraw/zinc/47/53/80/1067475380.db2.gz CPLGEDCMCBAJEL-QFIPXVFZSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304412782 1067481778 /nfs/dbraw/zinc/48/17/78/1067481778.db2.gz NLJBJIRNIOTEEY-UNMCSNQZSA-N 1 1 468.646 3.296 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCO[C@@H]2CCOC2)C[C@H](C)O1 ZINC001302901061 1067484518 /nfs/dbraw/zinc/48/45/18/1067484518.db2.gz DVIPNTWFNMNOBI-WSTZPKSXSA-N 1 1 496.027 3.479 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCO[C@@H]2CCOC2)C[C@H](C)O1 ZINC001302901061 1067484522 /nfs/dbraw/zinc/48/45/22/1067484522.db2.gz DVIPNTWFNMNOBI-WSTZPKSXSA-N 1 1 496.027 3.479 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(CCCc4ccccc4)n3CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001302901488 1067484979 /nfs/dbraw/zinc/48/49/79/1067484979.db2.gz JTCVIOGXOJHQHJ-ZRZAMGCNSA-N 1 1 496.700 3.257 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CC(F)(F)CO3)CC2)C[C@H](C)O1 ZINC001302901816 1067485952 /nfs/dbraw/zinc/48/59/52/1067485952.db2.gz QGPMTXYVHNYFSD-SCTDSRPQSA-N 1 1 455.594 3.325 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(F)(F)F ZINC001302902107 1067486391 /nfs/dbraw/zinc/48/63/91/1067486391.db2.gz CLAJZIBIIHPSHV-IRXDYDNUSA-N 1 1 459.557 3.450 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H](C)C1(F)F ZINC001302902061 1067486434 /nfs/dbraw/zinc/48/64/34/1067486434.db2.gz APAJLFHFKMNECU-WSTZPKSXSA-N 1 1 454.610 3.131 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(Br)cn3C)n2Cc2ccco2)C[C@H](C)O1 ZINC001302901990 1067486485 /nfs/dbraw/zinc/48/64/85/1067486485.db2.gz VSXFGKFJXQGISX-IYBDPMFKSA-N 1 1 477.407 3.233 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(Br)cn3C)n2Cc2ccco2)C[C@H](C)O1 ZINC001302901990 1067486489 /nfs/dbraw/zinc/48/64/89/1067486489.db2.gz VSXFGKFJXQGISX-IYBDPMFKSA-N 1 1 477.407 3.233 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302902973 1067488071 /nfs/dbraw/zinc/48/80/71/1067488071.db2.gz SCUIELZLXUNHPN-IBGZPJMESA-N 1 1 490.693 3.423 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccn3)n2CCc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC001302905057 1067489192 /nfs/dbraw/zinc/48/91/92/1067489192.db2.gz FQWMIAHSVIFYEI-HDICACEKSA-N 1 1 456.541 3.406 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccn3)n2CCc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC001302905057 1067489197 /nfs/dbraw/zinc/48/91/97/1067489197.db2.gz FQWMIAHSVIFYEI-HDICACEKSA-N 1 1 456.541 3.406 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CC[N@H+](C)C(C)C)cc1C ZINC001304417415 1067489666 /nfs/dbraw/zinc/48/96/66/1067489666.db2.gz VBZHYXRHLVYTLX-OAQYLSRUSA-N 1 1 452.607 3.284 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCC3)n2Cc2ccc(C[S@](C)=O)cc2)C[C@H](C)O1 ZINC001302905676 1067490770 /nfs/dbraw/zinc/49/07/70/1067490770.db2.gz UFHIRMPBJSBIRG-YDVVPIMXSA-N 1 1 459.660 3.018 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCC3)n2Cc2ccc(C[S@](C)=O)cc2)C[C@H](C)O1 ZINC001302905676 1067490776 /nfs/dbraw/zinc/49/07/76/1067490776.db2.gz UFHIRMPBJSBIRG-YDVVPIMXSA-N 1 1 459.660 3.018 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)C[C@H](C)O1 ZINC001302908976 1067494103 /nfs/dbraw/zinc/49/41/03/1067494103.db2.gz ONPSVIFOFYUQMB-QDMVCWPOSA-N 1 1 463.667 3.140 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)C[C@H](C)O1 ZINC001302908976 1067494105 /nfs/dbraw/zinc/49/41/05/1067494105.db2.gz ONPSVIFOFYUQMB-QDMVCWPOSA-N 1 1 463.667 3.140 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC001302909384 1067494456 /nfs/dbraw/zinc/49/44/56/1067494456.db2.gz QREMPZGIRWNQMV-OYRHEFFESA-N 1 1 484.689 3.357 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC001302909384 1067494459 /nfs/dbraw/zinc/49/44/59/1067494459.db2.gz QREMPZGIRWNQMV-OYRHEFFESA-N 1 1 484.689 3.357 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccn3)n2C[C@@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302909645 1067495145 /nfs/dbraw/zinc/49/51/45/1067495145.db2.gz XJRKDPHHQLPCDL-YZIHRLCOSA-N 1 1 470.662 3.141 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccn3)n2C[C@@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302909645 1067495149 /nfs/dbraw/zinc/49/51/49/1067495149.db2.gz XJRKDPHHQLPCDL-YZIHRLCOSA-N 1 1 470.662 3.141 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302915767 1067499989 /nfs/dbraw/zinc/49/99/89/1067499989.db2.gz VUMNQVKKTCCRSD-KRWDZBQOSA-N 1 1 463.573 3.262 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302918945 1067500580 /nfs/dbraw/zinc/50/05/80/1067500580.db2.gz IEAKCAXWLWDEAJ-VSKRKVRLSA-N 1 1 465.708 3.392 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001302920324 1067501717 /nfs/dbraw/zinc/50/17/17/1067501717.db2.gz SJJHZUDYGICBRJ-PWRODBHTSA-N 1 1 451.681 3.002 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001304425412 1067502471 /nfs/dbraw/zinc/50/24/71/1067502471.db2.gz PMYUQTBOQBXDNL-CGKQSPDFSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001304425412 1067502477 /nfs/dbraw/zinc/50/24/77/1067502477.db2.gz PMYUQTBOQBXDNL-CGKQSPDFSA-N 1 1 459.660 3.387 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302922798 1067502778 /nfs/dbraw/zinc/50/27/78/1067502778.db2.gz JKSQXSHXSGVAPQ-MOPGFXCFSA-N 1 1 483.583 3.380 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302923700 1067503918 /nfs/dbraw/zinc/50/39/18/1067503918.db2.gz UAAMHKHJKOBHON-FQEVSTJZSA-N 1 1 478.682 3.423 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302923700 1067503926 /nfs/dbraw/zinc/50/39/26/1067503926.db2.gz UAAMHKHJKOBHON-FQEVSTJZSA-N 1 1 478.682 3.423 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302932509 1067508204 /nfs/dbraw/zinc/50/82/04/1067508204.db2.gz BGLCSSKFERNVHH-NRFANRHFSA-N 1 1 488.702 3.392 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001304430599 1067508301 /nfs/dbraw/zinc/50/83/01/1067508301.db2.gz YSLZZJGJNGIZEK-FGZHOGPDSA-N 1 1 457.619 3.107 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1cccc(F)c1F ZINC001302936439 1067509863 /nfs/dbraw/zinc/50/98/63/1067509863.db2.gz DRCZLNDWHMUSJH-UHFFFAOYSA-N 1 1 474.600 3.132 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1cccc(F)c1F ZINC001302936439 1067509868 /nfs/dbraw/zinc/50/98/68/1067509868.db2.gz DRCZLNDWHMUSJH-UHFFFAOYSA-N 1 1 474.600 3.132 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCOC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001304431680 1067510163 /nfs/dbraw/zinc/51/01/63/1067510163.db2.gz KCQONJZLWNPLPH-JOCHJYFZSA-N 1 1 472.703 3.378 20 0 JGADMO CC(C)Cc1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302937062 1067510294 /nfs/dbraw/zinc/51/02/94/1067510294.db2.gz HYWREIKTLPNODG-RPWUZVMVSA-N 1 1 482.673 3.387 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@H]3CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304432590 1067511210 /nfs/dbraw/zinc/51/12/10/1067511210.db2.gz ZFWWLBFKKRRKAB-SFTDATJTSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001304433226 1067512160 /nfs/dbraw/zinc/51/21/60/1067512160.db2.gz AFYYHVUNJXNTSC-VWLOTQADSA-N 1 1 499.685 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001302939346 1067512993 /nfs/dbraw/zinc/51/29/93/1067512993.db2.gz WVKIFHLGZMDORL-JOCHJYFZSA-N 1 1 488.702 3.110 20 0 JGADMO FC(F)(F)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302940863 1067514964 /nfs/dbraw/zinc/51/49/64/1067514964.db2.gz CWUUTJDQFHKCFH-OAHLLOKOSA-N 1 1 474.915 3.079 20 0 JGADMO FC(F)(F)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302942030 1067515996 /nfs/dbraw/zinc/51/59/96/1067515996.db2.gz WKIPVMNPJSYDEN-CQSZACIVSA-N 1 1 461.941 3.415 20 0 JGADMO FC(F)(F)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302942030 1067516000 /nfs/dbraw/zinc/51/60/00/1067516000.db2.gz WKIPVMNPJSYDEN-CQSZACIVSA-N 1 1 461.941 3.415 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1OC(C)C ZINC001302945279 1067518092 /nfs/dbraw/zinc/51/80/92/1067518092.db2.gz ZLTCDARQTTZXFV-QFIPXVFZSA-N 1 1 468.646 3.055 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302946306 1067519525 /nfs/dbraw/zinc/51/95/25/1067519525.db2.gz BCPGDRAJXHEGJW-HXUWFJFHSA-N 1 1 456.639 3.128 20 0 JGADMO Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304439263 1067519853 /nfs/dbraw/zinc/51/98/53/1067519853.db2.gz WRWNDKVDMCGIFL-UHFFFAOYSA-N 1 1 474.675 3.064 20 0 JGADMO Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304439263 1067519859 /nfs/dbraw/zinc/51/98/59/1067519859.db2.gz WRWNDKVDMCGIFL-UHFFFAOYSA-N 1 1 474.675 3.064 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001302946644 1067520009 /nfs/dbraw/zinc/52/00/09/1067520009.db2.gz QAUMKYYLTNPPPM-RCZVLFRGSA-N 1 1 481.689 3.090 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302949107 1067522722 /nfs/dbraw/zinc/52/27/22/1067522722.db2.gz HIBWFXDMXFZGSN-HSZRJFAPSA-N 1 1 458.626 3.179 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302954027 1067525634 /nfs/dbraw/zinc/52/56/34/1067525634.db2.gz BSDQPBMEFUTXEI-HXUWFJFHSA-N 1 1 461.054 3.303 20 0 JGADMO FC(F)Oc1cccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001302956075 1067528034 /nfs/dbraw/zinc/52/80/34/1067528034.db2.gz ZPEQLCFUVYLUCC-HNNXBMFYSA-N 1 1 493.502 3.363 20 0 JGADMO FC(F)Oc1cccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001302956075 1067528042 /nfs/dbraw/zinc/52/80/42/1067528042.db2.gz ZPEQLCFUVYLUCC-HNNXBMFYSA-N 1 1 493.502 3.363 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CCN(C)CC(F)(F)F ZINC001302960912 1067532124 /nfs/dbraw/zinc/53/21/24/1067532124.db2.gz FLXOAIUQNSERAF-UHFFFAOYSA-N 1 1 496.578 3.064 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302961113 1067532271 /nfs/dbraw/zinc/53/22/71/1067532271.db2.gz INCPEWIALRHVRB-VWNXMTODSA-N 1 1 454.663 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302961113 1067532281 /nfs/dbraw/zinc/53/22/81/1067532281.db2.gz INCPEWIALRHVRB-VWNXMTODSA-N 1 1 454.663 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CCN1CCOCC1(C)C ZINC001302961318 1067532726 /nfs/dbraw/zinc/53/27/26/1067532726.db2.gz KEESQMSXBHJTEL-QFIPXVFZSA-N 1 1 454.663 3.298 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001304451408 1067532906 /nfs/dbraw/zinc/53/29/06/1067532906.db2.gz NZUFKYKFAIWFHI-OALUTQOASA-N 1 1 488.633 3.177 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001304451408 1067532913 /nfs/dbraw/zinc/53/29/13/1067532913.db2.gz NZUFKYKFAIWFHI-OALUTQOASA-N 1 1 488.633 3.177 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001302962035 1067533182 /nfs/dbraw/zinc/53/31/82/1067533182.db2.gz STQDUCSERBFMTC-HXUWFJFHSA-N 1 1 494.606 3.430 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001302962035 1067533192 /nfs/dbraw/zinc/53/31/92/1067533192.db2.gz STQDUCSERBFMTC-HXUWFJFHSA-N 1 1 494.606 3.430 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001302965813 1067535702 /nfs/dbraw/zinc/53/57/02/1067535702.db2.gz WKHDMYPLFYOJJT-UHFFFAOYSA-N 1 1 451.681 3.146 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001302965661 1067535719 /nfs/dbraw/zinc/53/57/19/1067535719.db2.gz INSOFSDYJCKFBJ-UHFFFAOYSA-N 1 1 474.616 3.298 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302965825 1067535866 /nfs/dbraw/zinc/53/58/66/1067535866.db2.gz WRKXJVYGHUTRKI-MRXNPFEDSA-N 1 1 472.581 3.496 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304456557 1067537075 /nfs/dbraw/zinc/53/70/75/1067537075.db2.gz PVQSHVJPGYUHFB-IBGZPJMESA-N 1 1 482.654 3.420 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001304457192 1067537866 /nfs/dbraw/zinc/53/78/66/1067537866.db2.gz VVORMHRPCIFLCN-UHFFFAOYSA-N 1 1 459.480 3.242 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304460068 1067539351 /nfs/dbraw/zinc/53/93/51/1067539351.db2.gz PBLQZHNSNFGNOB-UHFFFAOYSA-N 1 1 469.678 3.318 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302972539 1067539799 /nfs/dbraw/zinc/53/97/99/1067539799.db2.gz POANNPBLCZSFHF-CJFMBICVSA-N 1 1 457.667 3.473 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC001304460497 1067539924 /nfs/dbraw/zinc/53/99/24/1067539924.db2.gz SZWMHIDNMDBGNT-HXUWFJFHSA-N 1 1 488.683 3.418 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001304463702 1067541733 /nfs/dbraw/zinc/54/17/33/1067541733.db2.gz GYJRNHUCZFWWDZ-NQIIRXRSSA-N 1 1 499.660 3.109 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302976980 1067542723 /nfs/dbraw/zinc/54/27/23/1067542723.db2.gz RRQMPSVYFINHNN-OAQYLSRUSA-N 1 1 463.573 3.444 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302976980 1067542730 /nfs/dbraw/zinc/54/27/30/1067542730.db2.gz RRQMPSVYFINHNN-OAQYLSRUSA-N 1 1 463.573 3.444 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCCOCCC(C)C)n1 ZINC001304466519 1067545063 /nfs/dbraw/zinc/54/50/63/1067545063.db2.gz WAXFXCAVZGTISN-OFNKIYASSA-N 1 1 456.635 3.258 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOCCC(C)C)n1 ZINC001304466516 1067545075 /nfs/dbraw/zinc/54/50/75/1067545075.db2.gz WAXFXCAVZGTISN-NFBKMPQASA-N 1 1 456.635 3.258 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001304468751 1067547260 /nfs/dbraw/zinc/54/72/60/1067547260.db2.gz HLERJUNPWHKLTE-PZJWPPBQSA-N 1 1 467.662 3.464 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302985806 1067548641 /nfs/dbraw/zinc/54/86/41/1067548641.db2.gz NCPYRJGCOXFGHM-SLYNCCJLSA-N 1 1 459.038 3.395 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001304473575 1067551574 /nfs/dbraw/zinc/55/15/74/1067551574.db2.gz RUNYZAAYVXBQAS-HXUWFJFHSA-N 1 1 464.618 3.375 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304477092 1067555282 /nfs/dbraw/zinc/55/52/82/1067555282.db2.gz FALOUWMCVZZOQQ-DHIUTWEWSA-N 1 1 469.678 3.173 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001302998804 1067557088 /nfs/dbraw/zinc/55/70/88/1067557088.db2.gz SCDIQUWWPXKZEL-RBBKRZOGSA-N 1 1 489.686 3.068 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCCCS(C)(=O)=O)n1 ZINC001304478695 1067557652 /nfs/dbraw/zinc/55/76/52/1067557652.db2.gz GLSINHCYLWXIIS-UHFFFAOYSA-N 1 1 462.664 3.174 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001304478804 1067557764 /nfs/dbraw/zinc/55/77/64/1067557764.db2.gz LWBNIJFRPKWHKB-IRLDBZIGSA-N 1 1 467.662 3.462 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304478816 1067557946 /nfs/dbraw/zinc/55/79/46/1067557946.db2.gz MIAPJYOFSHFISX-SZPZYZBQSA-N 1 1 469.678 3.314 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@@H+](C)Cc2ccccc2)n1 ZINC001304478999 1067558015 /nfs/dbraw/zinc/55/80/15/1067558015.db2.gz PKWLYYFALCHGNG-JOCHJYFZSA-N 1 1 475.641 3.474 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(c4ncccc4F)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304479046 1067558292 /nfs/dbraw/zinc/55/82/92/1067558292.db2.gz RGIQYONASVWURB-UHFFFAOYSA-N 1 1 452.582 3.240 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CCCC(=O)N(C)C)n1 ZINC001304480936 1067560681 /nfs/dbraw/zinc/56/06/81/1067560681.db2.gz VZGKSSDUFRKQTP-OAQYLSRUSA-N 1 1 461.614 3.228 20 0 JGADMO Cc1cccc(CC2(O)CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)c1 ZINC001304483941 1067563278 /nfs/dbraw/zinc/56/32/78/1067563278.db2.gz YZLAJETUNVTGBO-UHFFFAOYSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1cccc(CC2(O)CCN(c3nnc(C(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)c1 ZINC001304483941 1067563287 /nfs/dbraw/zinc/56/32/87/1067563287.db2.gz YZLAJETUNVTGBO-UHFFFAOYSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1cccc(-c2nnc(N3CCO[C@H](c4nnc(C(C)C)o4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304484505 1067564013 /nfs/dbraw/zinc/56/40/13/1067564013.db2.gz TYWAKZAPZBDOII-IBGZPJMESA-N 1 1 454.579 3.073 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303021818 1067573764 /nfs/dbraw/zinc/57/37/64/1067573764.db2.gz MKXOOFQFVAGNQC-GLDPYIMESA-N 1 1 474.675 3.130 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001304502083 1067576364 /nfs/dbraw/zinc/57/63/64/1067576364.db2.gz LVHKXIVORCCLTP-LJQANCHMSA-N 1 1 456.616 3.227 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304502712 1067576911 /nfs/dbraw/zinc/57/69/11/1067576911.db2.gz KTRLOFJCRVANAH-RBBKRZOGSA-N 1 1 459.660 3.464 20 0 JGADMO NC(=O)[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303025462 1067578119 /nfs/dbraw/zinc/57/81/19/1067578119.db2.gz XEAUKDYIYLTPLO-INIZCTEOSA-N 1 1 479.412 3.128 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C)nc2)c1 ZINC001304505074 1067579210 /nfs/dbraw/zinc/57/92/10/1067579210.db2.gz YCHKOZJLNTVRAE-SZPZYZBQSA-N 1 1 464.614 3.463 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C)nc2)c1 ZINC001304505074 1067579215 /nfs/dbraw/zinc/57/92/15/1067579215.db2.gz YCHKOZJLNTVRAE-SZPZYZBQSA-N 1 1 464.614 3.463 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CCC[N@H+](C)C(C)C)c1 ZINC001304509064 1067583288 /nfs/dbraw/zinc/58/32/88/1067583288.db2.gz NFOKJSJIRMEKOD-OAQYLSRUSA-N 1 1 452.607 3.366 20 0 JGADMO CC(C)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001303039987 1067585179 /nfs/dbraw/zinc/58/51/79/1067585179.db2.gz BJJBXAFUDADPMG-QUCCMNQESA-N 1 1 454.685 3.168 20 0 JGADMO CC(C)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001303039985 1067585186 /nfs/dbraw/zinc/58/51/86/1067585186.db2.gz BJJBXAFUDADPMG-AZUAARDMSA-N 1 1 454.685 3.168 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCCCCS(C)(=O)=O)c1 ZINC001304511880 1067588192 /nfs/dbraw/zinc/58/81/92/1067588192.db2.gz JEWHWICRPSHCCA-NRFANRHFSA-N 1 1 475.659 3.055 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001304512462 1067589190 /nfs/dbraw/zinc/58/91/90/1067589190.db2.gz PLIDKNCYJQFGPT-YADHBBJMSA-N 1 1 468.646 3.343 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)C(C)C)CC1 ZINC001304512653 1067589635 /nfs/dbraw/zinc/58/96/35/1067589635.db2.gz RVKRZLRXGOLOPH-MHZLTWQESA-N 1 1 495.672 3.245 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCS[C@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001304513811 1067590987 /nfs/dbraw/zinc/59/09/87/1067590987.db2.gz DQXALFCQLJYAFX-RTWAWAEBSA-N 1 1 459.660 3.344 20 0 JGADMO Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC[N@H+]1CCC[C@H](C)C1)C2 ZINC001304516928 1067592907 /nfs/dbraw/zinc/59/29/07/1067592907.db2.gz RLSIUWGLKVXFEV-PZJWPPBQSA-N 1 1 488.702 3.272 20 0 JGADMO CC(C)CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC001303057783 1067595607 /nfs/dbraw/zinc/59/56/07/1067595607.db2.gz NQROIOBBCCPTLP-SANMLTNESA-N 1 1 490.693 3.474 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCc1nccnc1C ZINC001304524804 1067598346 /nfs/dbraw/zinc/59/83/46/1067598346.db2.gz KZEVKDRCWNFROW-UHFFFAOYSA-N 1 1 463.630 3.389 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(-c2ccccc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304525346 1067598669 /nfs/dbraw/zinc/59/86/69/1067598669.db2.gz HYUVRGQNRQWODR-UHFFFAOYSA-N 1 1 451.619 3.199 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(-c2ccccc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304525346 1067598674 /nfs/dbraw/zinc/59/86/74/1067598674.db2.gz HYUVRGQNRQWODR-UHFFFAOYSA-N 1 1 451.619 3.199 20 0 JGADMO CC(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303069825 1067604647 /nfs/dbraw/zinc/60/46/47/1067604647.db2.gz UTSOHVMUTNKRQV-PZJWPPBQSA-N 1 1 462.664 3.035 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304534568 1067605134 /nfs/dbraw/zinc/60/51/34/1067605134.db2.gz IVKQLKYLMTWUMJ-JOCHJYFZSA-N 1 1 484.645 3.279 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001304534794 1067605166 /nfs/dbraw/zinc/60/51/66/1067605166.db2.gz IETABLZBSGZJNF-UHFFFAOYSA-N 1 1 464.536 3.387 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304536906 1067608205 /nfs/dbraw/zinc/60/82/05/1067608205.db2.gz INDJCRGZDGTSGB-CTNGQTDRSA-N 1 1 484.645 3.277 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304536906 1067608209 /nfs/dbraw/zinc/60/82/09/1067608209.db2.gz INDJCRGZDGTSGB-CTNGQTDRSA-N 1 1 484.645 3.277 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001304537568 1067609360 /nfs/dbraw/zinc/60/93/60/1067609360.db2.gz QOVXQZQICAYQAW-VQTJNVASSA-N 1 1 480.579 3.173 20 0 JGADMO O=C(C[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CCSC(F)(F)F)CC1)N1CCCC1 ZINC001303080166 1067614150 /nfs/dbraw/zinc/61/41/50/1067614150.db2.gz PKNMNNSSNFYXBA-UHFFFAOYSA-N 1 1 482.576 3.333 20 0 JGADMO O=C(C[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CCSC(F)(F)F)CC1)N1CCCC1 ZINC001303080166 1067614155 /nfs/dbraw/zinc/61/41/55/1067614155.db2.gz PKNMNNSSNFYXBA-UHFFFAOYSA-N 1 1 482.576 3.333 20 0 JGADMO CC(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303081615 1067615212 /nfs/dbraw/zinc/61/52/12/1067615212.db2.gz LYGFBHDHJPAOGH-OAQYLSRUSA-N 1 1 459.038 3.311 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccc2C)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001304549691 1067619016 /nfs/dbraw/zinc/61/90/16/1067619016.db2.gz AWDXXQCUCJJHKO-UHFFFAOYSA-N 1 1 463.630 3.467 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001304558214 1067626908 /nfs/dbraw/zinc/62/69/08/1067626908.db2.gz XKQSFGOHEQJPOV-NRFANRHFSA-N 1 1 452.647 3.391 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCCO[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304559966 1067629089 /nfs/dbraw/zinc/62/90/89/1067629089.db2.gz QAJMUJSTUPJMSK-QFIPXVFZSA-N 1 1 454.663 3.066 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(CC(F)F)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304561970 1067632198 /nfs/dbraw/zinc/63/21/98/1067632198.db2.gz SFCNCHJTIHPQJB-NRFANRHFSA-N 1 1 476.616 3.065 20 0 JGADMO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001304571339 1067639439 /nfs/dbraw/zinc/63/94/39/1067639439.db2.gz ZCZJCBSVTPJTKG-QHCPKHFHSA-N 1 1 495.697 3.411 20 0 JGADMO Cc1ccccc1O[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304571726 1067639882 /nfs/dbraw/zinc/63/98/82/1067639882.db2.gz RAAZTPRMPBFDKQ-JOCHJYFZSA-N 1 1 498.672 3.085 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001303102555 1067641392 /nfs/dbraw/zinc/64/13/92/1067641392.db2.gz SSMFXZKPFZAVSV-FGZHOGPDSA-N 1 1 463.667 3.172 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001304575188 1067643775 /nfs/dbraw/zinc/64/37/75/1067643775.db2.gz WSLPQUQSAMTTKF-OAQYLSRUSA-N 1 1 454.619 3.212 20 0 JGADMO Cc1ccccc1O[C@H](C)Cn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C ZINC001304575274 1067643788 /nfs/dbraw/zinc/64/37/88/1067643788.db2.gz YUQSZCNTKFQEQR-NHCUHLMSSA-N 1 1 468.646 3.094 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303108913 1067646560 /nfs/dbraw/zinc/64/65/60/1067646560.db2.gz AZUCHPAHLVODDX-GGAORHGYSA-N 1 1 463.667 3.170 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001303110410 1067648634 /nfs/dbraw/zinc/64/86/34/1067648634.db2.gz VGWRWEQDCUQXOU-HXUWFJFHSA-N 1 1 481.707 3.086 20 0 JGADMO CC1=CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001304585371 1067654130 /nfs/dbraw/zinc/65/41/30/1067654130.db2.gz GMDPEXFHFBVRLQ-HXUWFJFHSA-N 1 1 450.356 3.070 20 0 JGADMO CC(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001303117318 1067655072 /nfs/dbraw/zinc/65/50/72/1067655072.db2.gz CEGLPDOBTGMVTB-QUCCMNQESA-N 1 1 463.026 3.213 20 0 JGADMO CC(C)CCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303118253 1067656606 /nfs/dbraw/zinc/65/66/06/1067656606.db2.gz UQGBLZSPSODVRP-UHFFFAOYSA-N 1 1 481.649 3.294 20 0 JGADMO CC1=CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001304589874 1067657206 /nfs/dbraw/zinc/65/72/06/1067657206.db2.gz LDPPORVLKYOGGQ-RTWAWAEBSA-N 1 1 474.650 3.475 20 0 JGADMO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@H+]3CCC[C@H](C)C3)C2)c1 ZINC001304600112 1067663542 /nfs/dbraw/zinc/66/35/42/1067663542.db2.gz ZCVWWNNQBUCSOY-PZJWPPBQSA-N 1 1 470.666 3.273 20 0 JGADMO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@H+]3CCC[C@@H](C)C3)C2)c1 ZINC001304600108 1067663570 /nfs/dbraw/zinc/66/35/70/1067663570.db2.gz ZCVWWNNQBUCSOY-CTNGQTDRSA-N 1 1 470.666 3.273 20 0 JGADMO Cc1cnn(C[C@H]2CN(c3nnc(Cc4ccc(Cl)cc4)n3CC[N@H+](C)C(C)C)CCO2)c1 ZINC001304601101 1067665509 /nfs/dbraw/zinc/66/55/09/1067665509.db2.gz GMOFJHOMJPQHKM-JOCHJYFZSA-N 1 1 472.037 3.273 20 0 JGADMO Cc1cnn(C[C@H]2CN(c3nnc(-c4ccccc4F)n3CCC[N@H+](C)C(C)C)CCO2)c1 ZINC001304604698 1067670939 /nfs/dbraw/zinc/67/09/39/1067670939.db2.gz WBVHNSIMMXAZNX-HXUWFJFHSA-N 1 1 455.582 3.225 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303143170 1067681784 /nfs/dbraw/zinc/68/17/84/1067681784.db2.gz ATNRCNPMWHOUHM-MOPGFXCFSA-N 1 1 459.557 3.015 20 0 JGADMO Cc1csc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC001304619100 1067687255 /nfs/dbraw/zinc/68/72/55/1067687255.db2.gz GFSGQCLCZQXFEG-SFHVURJKSA-N 1 1 456.664 3.491 20 0 JGADMO Cc1csc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)Cc3ccccc3)CCO2)n1 ZINC001304620348 1067688800 /nfs/dbraw/zinc/68/88/00/1067688800.db2.gz DRDTWYPNUZXSCU-OAQYLSRUSA-N 1 1 497.669 3.281 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001303152728 1067689070 /nfs/dbraw/zinc/68/90/70/1067689070.db2.gz CKQFDZDZNAKYBL-NRFANRHFSA-N 1 1 495.590 3.194 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303152856 1067689632 /nfs/dbraw/zinc/68/96/32/1067689632.db2.gz HCBBTOUVJVOEDV-RTBURBONSA-N 1 1 487.954 3.137 20 0 JGADMO Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+](C)C3CCCC3)C2)n1 ZINC001304621328 1067690139 /nfs/dbraw/zinc/69/01/39/1067690139.db2.gz UKIPKKWLOYABMS-GOSISDBHSA-N 1 1 459.664 3.440 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303152940 1067690119 /nfs/dbraw/zinc/69/01/19/1067690119.db2.gz KFWOGJXQWDZQPZ-YJBOKZPZSA-N 1 1 491.917 3.352 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303152939 1067690226 /nfs/dbraw/zinc/69/02/26/1067690226.db2.gz KFWOGJXQWDZQPZ-QAPCUYQASA-N 1 1 491.917 3.352 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 ZINC001303153205 1067690546 /nfs/dbraw/zinc/69/05/46/1067690546.db2.gz TYSRDAOOUBLNBG-KRWDZBQOSA-N 1 1 464.383 3.460 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303153194 1067690582 /nfs/dbraw/zinc/69/05/82/1067690582.db2.gz SSLGXNSNWAUSGU-ROUUACIJSA-N 1 1 473.927 3.213 20 0 JGADMO Cc1csc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001304627301 1067698452 /nfs/dbraw/zinc/69/84/52/1067698452.db2.gz LGVYNTGISMZTRL-KRWDZBQOSA-N 1 1 468.693 3.017 20 0 JGADMO Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304629279 1067699937 /nfs/dbraw/zinc/69/99/37/1067699937.db2.gz BFKHDSUYIIPUAU-QXAKKESOSA-N 1 1 465.689 3.307 20 0 JGADMO Cc1csc(Cn2c(COc3ccccc3F)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001304634568 1067703190 /nfs/dbraw/zinc/70/31/90/1067703190.db2.gz GLNIJHOVNBGQMD-UHFFFAOYSA-N 1 1 474.606 3.356 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)CCC(F)F)C1 ZINC001303172129 1067704502 /nfs/dbraw/zinc/70/45/02/1067704502.db2.gz APHJWIZLTURZLD-SFHVURJKSA-N 1 1 473.576 3.380 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC001303172291 1067704836 /nfs/dbraw/zinc/70/48/36/1067704836.db2.gz DJDWCNJJIMKNOD-OAQYLSRUSA-N 1 1 453.635 3.127 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)C1 ZINC001303172161 1067704905 /nfs/dbraw/zinc/70/49/05/1067704905.db2.gz BAOBZXZJVHFGAQ-WOJBJXKFSA-N 1 1 466.696 3.027 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)C1 ZINC001303172350 1067704988 /nfs/dbraw/zinc/70/49/88/1067704988.db2.gz FCRGMLCLVQCNHY-CTNGQTDRSA-N 1 1 489.064 3.455 20 0 JGADMO Cc1cscc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001304636321 1067705007 /nfs/dbraw/zinc/70/50/07/1067705007.db2.gz MIJRMUXTNSBGFW-KDURUIRLSA-N 1 1 474.675 3.160 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001303172429 1067705353 /nfs/dbraw/zinc/70/53/53/1067705353.db2.gz GJLRUVFVLNAPTG-FGZHOGPDSA-N 1 1 498.720 3.425 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001303172367 1067705503 /nfs/dbraw/zinc/70/55/03/1067705503.db2.gz FKNHGSOKHRKQGH-SFTDATJTSA-N 1 1 455.651 3.382 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001303172431 1067705605 /nfs/dbraw/zinc/70/56/05/1067705605.db2.gz GJLRUVFVLNAPTG-YADHBBJMSA-N 1 1 498.720 3.425 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001303172512 1067705964 /nfs/dbraw/zinc/70/59/64/1067705964.db2.gz IDUMAROZYXCZAW-GOSISDBHSA-N 1 1 475.592 3.145 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303172705 1067706506 /nfs/dbraw/zinc/70/65/06/1067706506.db2.gz LXBBKXKCSOOYTH-HXUWFJFHSA-N 1 1 486.686 3.286 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC=C(Br)C2)C1 ZINC001303172601 1067706580 /nfs/dbraw/zinc/70/65/80/1067706580.db2.gz JWCIUKJLFUVMAS-QGZVFWFLSA-N 1 1 467.456 3.273 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001303173227 1067707103 /nfs/dbraw/zinc/70/71/03/1067707103.db2.gz PZYKAQTXFAELCO-QZTJIDSGSA-N 1 1 495.550 3.061 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001303173717 1067707450 /nfs/dbraw/zinc/70/74/50/1067707450.db2.gz TZCMGQAKGNFJOX-OAQYLSRUSA-N 1 1 461.614 3.443 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001303174010 1067707540 /nfs/dbraw/zinc/70/75/40/1067707540.db2.gz VHDKIWSQIYLBRX-NRFANRHFSA-N 1 1 461.614 3.443 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001303174642 1067708061 /nfs/dbraw/zinc/70/80/61/1067708061.db2.gz ZXIAAXOFPWEXQZ-IRLDBZIGSA-N 1 1 489.064 3.455 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(N3C[C@@H](C)[C@@H](F)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303179166 1067712866 /nfs/dbraw/zinc/71/28/66/1067712866.db2.gz RDVUCGAYDYBKGO-IUBSTNSRSA-N 1 1 451.631 3.481 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001303179074 1067712882 /nfs/dbraw/zinc/71/28/82/1067712882.db2.gz PYXMKPLTXRBTSY-PZJWPPBQSA-N 1 1 477.650 3.324 20 0 JGADMO Cc1nc(C)c(Cn2c(N3CC[NH+](C[C@@H](O)COc4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001304644226 1067713013 /nfs/dbraw/zinc/71/30/13/1067713013.db2.gz LGQGEJRZHVJSKC-HXUWFJFHSA-N 1 1 484.670 3.259 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001303179376 1067713311 /nfs/dbraw/zinc/71/33/11/1067713311.db2.gz UWGMXTJGHBTUEB-YYTDSSBASA-N 1 1 474.694 3.232 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001303179892 1067713675 /nfs/dbraw/zinc/71/36/75/1067713675.db2.gz ZTYHCTRCJZSSDK-FQEVSTJZSA-N 1 1 480.078 3.125 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1=O ZINC001303182614 1067715048 /nfs/dbraw/zinc/71/50/48/1067715048.db2.gz CMMALEUHNAUGMX-ROUUACIJSA-N 1 1 493.027 3.151 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1=O ZINC001303182614 1067715058 /nfs/dbraw/zinc/71/50/58/1067715058.db2.gz CMMALEUHNAUGMX-ROUUACIJSA-N 1 1 493.027 3.151 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CC=CCC2)CC1=O ZINC001303183687 1067716589 /nfs/dbraw/zinc/71/65/89/1067716589.db2.gz SQJPBWFPONLXRS-FQEVSTJZSA-N 1 1 470.593 3.124 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCc2ccc(O)cc2)cs1 ZINC001304649296 1067717041 /nfs/dbraw/zinc/71/70/41/1067717041.db2.gz RJBPGFUIPUOQPO-UHFFFAOYSA-N 1 1 484.670 3.377 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@]2(O)CC[N@@H+](C)C2)cs1 ZINC001304651770 1067719364 /nfs/dbraw/zinc/71/93/64/1067719364.db2.gz GWQHBGCZRXVIRN-IBGZPJMESA-N 1 1 453.037 3.052 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@]2(O)CC[N@@H+](C)C2)cs1 ZINC001304651780 1067719516 /nfs/dbraw/zinc/71/95/16/1067719516.db2.gz GWQHBGCZRXVIRN-LJQANCHMSA-N 1 1 453.037 3.052 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001303189741 1067724122 /nfs/dbraw/zinc/72/41/22/1067724122.db2.gz RFBIEZUTCDDPCQ-OYRHEFFESA-N 1 1 455.651 3.336 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2c(C)noc2C)cs1 ZINC001304657265 1067725583 /nfs/dbraw/zinc/72/55/83/1067725583.db2.gz WCHSYYFJNQTZFZ-IYBDPMFKSA-N 1 1 473.647 3.027 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2c(C)noc2C)cs1 ZINC001304657265 1067725589 /nfs/dbraw/zinc/72/55/89/1067725589.db2.gz WCHSYYFJNQTZFZ-IYBDPMFKSA-N 1 1 473.647 3.027 20 0 JGADMO Cc1nc(Cc2nnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)n2CCC(C)(C)O)cs1 ZINC001304659537 1067727349 /nfs/dbraw/zinc/72/73/49/1067727349.db2.gz OIIUPVHDQVBZTO-PGRDOPGGSA-N 1 1 486.690 3.048 20 0 JGADMO O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001304659429 1067727428 /nfs/dbraw/zinc/72/74/28/1067727428.db2.gz GUSPVOJMNNLHMT-QZTJIDSGSA-N 1 1 453.370 3.424 20 0 JGADMO O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001304659430 1067727494 /nfs/dbraw/zinc/72/74/94/1067727494.db2.gz GUSPVOJMNNLHMT-ROUUACIJSA-N 1 1 453.370 3.424 20 0 JGADMO Cc1nc(Cc2nnc(N(C)C[C@H]3CCCO3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001304660054 1067728119 /nfs/dbraw/zinc/72/81/19/1067728119.db2.gz SOVQAQKCIKQIFH-FUHIMQAGSA-N 1 1 462.664 3.137 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H]2C)[C@@H](C)C1=O ZINC001303196346 1067730181 /nfs/dbraw/zinc/73/01/81/1067730181.db2.gz IJBPSWVHMWSFSS-PMACEKPBSA-N 1 1 456.610 3.185 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001303197619 1067732385 /nfs/dbraw/zinc/73/23/85/1067732385.db2.gz RTIRHWYNNYHNRD-LJQANCHMSA-N 1 1 474.600 3.184 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cs1 ZINC001304665743 1067732557 /nfs/dbraw/zinc/73/25/57/1067732557.db2.gz BPXWYSKURUSYGA-LJQANCHMSA-N 1 1 495.491 3.480 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1=O ZINC001303197856 1067732570 /nfs/dbraw/zinc/73/25/70/1067732570.db2.gz ZPSYOWLUWPVKOP-XZOQPEGZSA-N 1 1 489.668 3.478 20 0 JGADMO CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)CC1=O ZINC001303198485 1067733311 /nfs/dbraw/zinc/73/33/11/1067733311.db2.gz BZZPBFVXAIRVTF-UHFFFAOYSA-N 1 1 463.026 3.155 20 0 JGADMO CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1=O ZINC001303198795 1067734560 /nfs/dbraw/zinc/73/45/60/1067734560.db2.gz LMXQBPOCPXEKEF-UHFFFAOYSA-N 1 1 473.021 3.077 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCN(C)CC(F)(F)F)cs1 ZINC001304668964 1067737100 /nfs/dbraw/zinc/73/71/00/1067737100.db2.gz WLPXKEVGWWYZKQ-UHFFFAOYSA-N 1 1 459.586 3.048 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC001303201655 1067737305 /nfs/dbraw/zinc/73/73/05/1067737305.db2.gz NSQZPNMIFSHPIL-HXUWFJFHSA-N 1 1 463.026 3.487 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C)C2)C1 ZINC001303201881 1067737756 /nfs/dbraw/zinc/73/77/56/1067737756.db2.gz QWSDSGFJYNXOSR-UFYCRDLUSA-N 1 1 461.582 3.139 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304669565 1067737812 /nfs/dbraw/zinc/73/78/12/1067737812.db2.gz BWGCXJBSKCXHRZ-GOSISDBHSA-N 1 1 461.680 3.105 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CCNC(=O)C(C)C)cs1 ZINC001304669705 1067738158 /nfs/dbraw/zinc/73/81/58/1067738158.db2.gz IMSFEHJSWQBMDF-QGZVFWFLSA-N 1 1 487.699 3.351 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001303202319 1067738355 /nfs/dbraw/zinc/73/83/55/1067738355.db2.gz XBPGRUMYLBTSJK-AUSIDOKSSA-N 1 1 475.609 3.123 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001304670143 1067738801 /nfs/dbraw/zinc/73/88/01/1067738801.db2.gz LGQSPPFVEIXLTC-UHFFFAOYSA-N 1 1 499.660 3.210 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001303203872 1067739538 /nfs/dbraw/zinc/73/95/38/1067739538.db2.gz CIWKEOWAPASAIZ-WMZOPIPTSA-N 1 1 495.455 3.276 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCCCn2cc[nH+]c2C)cs1 ZINC001304672085 1067740909 /nfs/dbraw/zinc/74/09/09/1067740909.db2.gz PONQNNUQPMYQBZ-FQEVSTJZSA-N 1 1 484.674 3.360 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H]3CCOC3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303204393 1067741366 /nfs/dbraw/zinc/74/13/66/1067741366.db2.gz IQTMQDMHLPJWQH-RTBURBONSA-N 1 1 459.557 3.308 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCC(OC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303204777 1067741615 /nfs/dbraw/zinc/74/16/15/1067741615.db2.gz OOZAUFBOEPXIEP-OZXSUGGESA-N 1 1 493.693 3.069 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N(C)Cc3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303204764 1067741675 /nfs/dbraw/zinc/74/16/75/1067741675.db2.gz OHAMBMLBEQTKMK-HYBUGGRVSA-N 1 1 477.675 3.373 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001304672975 1067742163 /nfs/dbraw/zinc/74/21/63/1067742163.db2.gz YCRHYHMPKRXPGA-NHCUHLMSSA-N 1 1 487.718 3.495 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cccs2)C1 ZINC001303204942 1067742272 /nfs/dbraw/zinc/74/22/72/1067742272.db2.gz PGVVFFAJGHBLGC-SFHVURJKSA-N 1 1 488.683 3.324 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001303205169 1067742323 /nfs/dbraw/zinc/74/23/23/1067742323.db2.gz QJJJRGKHJLVTMC-FCHUYYIVSA-N 1 1 476.710 3.212 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304673279 1067742788 /nfs/dbraw/zinc/74/27/88/1067742788.db2.gz PEKYURPZNSTJGJ-IRXDYDNUSA-N 1 1 485.624 3.439 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304673280 1067742842 /nfs/dbraw/zinc/74/28/42/1067742842.db2.gz PEKYURPZNSTJGJ-SJORKVTESA-N 1 1 485.624 3.439 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C(C)C)C2)C1 ZINC001303205583 1067742880 /nfs/dbraw/zinc/74/28/80/1067742880.db2.gz RLSAXKHHFPXODN-GOTSBHOMSA-N 1 1 475.609 3.214 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001303205619 1067743300 /nfs/dbraw/zinc/74/33/00/1067743300.db2.gz SEKTZMDAAYTWBA-VQTJNVASSA-N 1 1 475.609 3.357 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001303206586 1067744140 /nfs/dbraw/zinc/74/41/40/1067744140.db2.gz UFQXUNNLYPNWNG-WDSOQIARSA-N 1 1 487.592 3.443 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCC([C@@](C)(O)C(F)(F)F)CC3)nnc2C(C)(C)C)C1 ZINC001303207334 1067744268 /nfs/dbraw/zinc/74/42/68/1067744268.db2.gz UKAVMIRSQAYYPN-XMSQKQJNSA-N 1 1 475.600 3.462 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001303206685 1067744621 /nfs/dbraw/zinc/74/46/21/1067744621.db2.gz WADJYQBCXCZEAA-UXHICEINSA-N 1 1 482.551 3.245 20 0 JGADMO Cc1ncc(CN2CCN(c3nnc(Cc4csc(C)n4)n3CC[N@H+](C)C(C)C)CC2)s1 ZINC001304674456 1067744951 /nfs/dbraw/zinc/74/49/51/1067744951.db2.gz PUIUMVNWBFTNMU-UHFFFAOYSA-N 1 1 474.704 3.061 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCOC[C@@H]2C)C1 ZINC001303207557 1067745761 /nfs/dbraw/zinc/74/57/61/1067745761.db2.gz ZOJOGXDICWVZQW-WMZOPIPTSA-N 1 1 451.974 3.320 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001303208038 1067746030 /nfs/dbraw/zinc/74/60/30/1067746030.db2.gz WFFQFWTZLUDQIH-RUZDIDTESA-N 1 1 483.705 3.177 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001303208038 1067746036 /nfs/dbraw/zinc/74/60/36/1067746036.db2.gz WFFQFWTZLUDQIH-RUZDIDTESA-N 1 1 483.705 3.177 20 0 JGADMO Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)C2)no1 ZINC001304676999 1067748976 /nfs/dbraw/zinc/74/89/76/1067748976.db2.gz NGJQHLBPQGIJAR-UGKGYDQZSA-N 1 1 494.644 3.087 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001303213688 1067751108 /nfs/dbraw/zinc/75/11/08/1067751108.db2.gz TYOFLLJYMZYCDJ-NRFANRHFSA-N 1 1 469.634 3.375 20 0 JGADMO Cc1nc(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)C2)no1 ZINC001304680080 1067753059 /nfs/dbraw/zinc/75/30/59/1067753059.db2.gz VOKMCQOYMLDDAC-PMACEKPBSA-N 1 1 459.639 3.083 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001303227797 1067763344 /nfs/dbraw/zinc/76/33/44/1067763344.db2.gz VKYCYUKXNOSHDL-UGKGYDQZSA-N 1 1 478.435 3.026 20 0 JGADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H]2CCC[N@H+]2CCCO)s1 ZINC001304692306 1067765520 /nfs/dbraw/zinc/76/55/20/1067765520.db2.gz OSBNJCCJOOKHKR-NRFANRHFSA-N 1 1 454.644 3.425 20 0 JGADMO Cc1ncc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001304692620 1067765694 /nfs/dbraw/zinc/76/56/94/1067765694.db2.gz QWFUHAOZUNHNQR-OAQYLSRUSA-N 1 1 455.632 3.022 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC001304692841 1067766343 /nfs/dbraw/zinc/76/63/43/1067766343.db2.gz HKMLDHDPRIAVFL-XLIONFOSSA-N 1 1 488.683 3.102 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC001304692841 1067766354 /nfs/dbraw/zinc/76/63/54/1067766354.db2.gz HKMLDHDPRIAVFL-XLIONFOSSA-N 1 1 488.683 3.102 20 0 JGADMO Cc1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H]2C)s1 ZINC001304693604 1067766712 /nfs/dbraw/zinc/76/67/12/1067766712.db2.gz LZYOSKMAMAUTJV-HNNXBMFYSA-N 1 1 459.645 3.155 20 0 JGADMO Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001304701175 1067771849 /nfs/dbraw/zinc/77/18/49/1067771849.db2.gz DNUAFPSVUHJADV-LJQANCHMSA-N 1 1 452.563 3.017 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)NC(C)(C)C)cn1 ZINC001304701294 1067772126 /nfs/dbraw/zinc/77/21/26/1067772126.db2.gz FHYWHXSVXKZQDU-UHFFFAOYSA-N 1 1 494.003 3.282 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCC(C)CC2)cn1 ZINC001304701380 1067772170 /nfs/dbraw/zinc/77/21/70/1067772170.db2.gz DEMFOKURPPMRLJ-UHFFFAOYSA-N 1 1 450.591 3.369 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1F ZINC001304701853 1067773104 /nfs/dbraw/zinc/77/31/04/1067773104.db2.gz PXMIEWSDOBHKOI-WHSLLNHNSA-N 1 1 490.605 3.069 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1F ZINC001304701868 1067773203 /nfs/dbraw/zinc/77/32/03/1067773203.db2.gz QMPITLFWRQHDBC-UHFFFAOYSA-N 1 1 453.566 3.317 20 0 JGADMO Cc1nccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC001304702222 1067773536 /nfs/dbraw/zinc/77/35/36/1067773536.db2.gz QXSNIXZHTHBGDI-OAQYLSRUSA-N 1 1 454.667 3.412 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(C)C)C2)cn1 ZINC001304701922 1067773598 /nfs/dbraw/zinc/77/35/98/1067773598.db2.gz NGRRTSKGGXAWNA-HXUWFJFHSA-N 1 1 450.591 3.226 20 0 JGADMO Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001304702438 1067774197 /nfs/dbraw/zinc/77/41/97/1067774197.db2.gz XZRKCSHWGOKLTE-SFHVURJKSA-N 1 1 455.538 3.371 20 0 JGADMO CC(C)CSCCCn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001303247922 1067775138 /nfs/dbraw/zinc/77/51/38/1067775138.db2.gz QLZLURVTGIVKMC-OAQYLSRUSA-N 1 1 478.707 3.043 20 0 JGADMO CC(C)CSCCCn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001303247922 1067775147 /nfs/dbraw/zinc/77/51/47/1067775147.db2.gz QLZLURVTGIVKMC-OAQYLSRUSA-N 1 1 478.707 3.043 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001304703218 1067775602 /nfs/dbraw/zinc/77/56/02/1067775602.db2.gz OSXZGVUNUFJKJJ-UHFFFAOYSA-N 1 1 453.566 3.085 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 ZINC001304702940 1067775633 /nfs/dbraw/zinc/77/56/33/1067775633.db2.gz AONKVAQEJXJCRT-BGYRXZFFSA-N 1 1 495.632 3.461 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001304703825 1067776037 /nfs/dbraw/zinc/77/60/37/1067776037.db2.gz JPFQZIJJMAKKCF-HXUWFJFHSA-N 1 1 473.528 3.468 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001304703558 1067776055 /nfs/dbraw/zinc/77/60/55/1067776055.db2.gz HDFVNTIGHRKGIO-FQEVSTJZSA-N 1 1 486.020 3.320 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001304704015 1067776482 /nfs/dbraw/zinc/77/64/82/1067776482.db2.gz WGNHVAYBODDWNF-GHTZIAJQSA-N 1 1 456.616 3.363 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001304704118 1067776913 /nfs/dbraw/zinc/77/69/13/1067776913.db2.gz MTTSIBQBBLBEEE-SFHVURJKSA-N 1 1 455.611 3.386 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001304704159 1067776931 /nfs/dbraw/zinc/77/69/31/1067776931.db2.gz FCKHCXKCLZZHSE-LJQANCHMSA-N 1 1 466.590 3.286 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001304704908 1067777273 /nfs/dbraw/zinc/77/72/73/1067777273.db2.gz RVRCEAAIRZJDTO-HKUYNNGSSA-N 1 1 469.565 3.244 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001304705084 1067777685 /nfs/dbraw/zinc/77/76/85/1067777685.db2.gz MPAXGVYBMRKLSA-UHFFFAOYSA-N 1 1 453.566 3.420 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001304705439 1067778160 /nfs/dbraw/zinc/77/81/60/1067778160.db2.gz QEGYDOJLDYKNTB-AWEZNQCLSA-N 1 1 490.381 3.109 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304705804 1067778559 /nfs/dbraw/zinc/77/85/59/1067778559.db2.gz VEYSYFBOLMAKLK-PKOBYXMFSA-N 1 1 468.606 3.228 20 0 JGADMO COC1(c2nccn2C)CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001303254528 1067779697 /nfs/dbraw/zinc/77/96/97/1067779697.db2.gz ZUMOGEQEWOJZJW-NRFANRHFSA-N 1 1 450.505 3.339 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001304707622 1067779968 /nfs/dbraw/zinc/77/99/68/1067779968.db2.gz MPOIIILMDKVESH-PKOBYXMFSA-N 1 1 459.595 3.170 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001303254993 1067780255 /nfs/dbraw/zinc/78/02/55/1067780255.db2.gz RTZDRGNKYYIQSP-UHFFFAOYSA-N 1 1 492.672 3.171 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001304709860 1067780769 /nfs/dbraw/zinc/78/07/69/1067780769.db2.gz ZMRPCJQXGSDJAP-QGZVFWFLSA-N 1 1 483.598 3.065 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001304709334 1067780793 /nfs/dbraw/zinc/78/07/93/1067780793.db2.gz NBGLNIXJLQMSOT-IBGZPJMESA-N 1 1 493.637 3.460 20 0 JGADMO Cc1nccnc1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304711481 1067781890 /nfs/dbraw/zinc/78/18/90/1067781890.db2.gz CMLHIWZFQNJHOG-UHFFFAOYSA-N 1 1 481.620 3.144 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@H]1C ZINC001304711866 1067782800 /nfs/dbraw/zinc/78/28/00/1067782800.db2.gz RAXYZRRXRXFKDO-CYBMUJFWSA-N 1 1 450.410 3.193 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCC(C)CC1 ZINC001304712071 1067782944 /nfs/dbraw/zinc/78/29/44/1067782944.db2.gz SXJSYTBDHOVPGL-UHFFFAOYSA-N 1 1 485.658 3.415 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001303256603 1067783258 /nfs/dbraw/zinc/78/32/58/1067783258.db2.gz MWPTYDICIYVILC-LJQANCHMSA-N 1 1 480.583 3.176 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@@H](C)C1 ZINC001304712580 1067783699 /nfs/dbraw/zinc/78/36/99/1067783699.db2.gz TWKAZDALGXNLBC-ICSRJNTNSA-N 1 1 473.622 3.213 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303256765 1067783810 /nfs/dbraw/zinc/78/38/10/1067783810.db2.gz BRWXKGGPFYIONQ-HXUWFJFHSA-N 1 1 472.600 3.365 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303256771 1067783885 /nfs/dbraw/zinc/78/38/85/1067783885.db2.gz CDYWIIQKAFQRJM-XMMPIXPASA-N 1 1 482.673 3.283 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)Cc2cccc(F)c2)CC1 ZINC001303257054 1067784169 /nfs/dbraw/zinc/78/41/69/1067784169.db2.gz QVQCYDXGAWHUFF-UHFFFAOYSA-N 1 1 495.647 3.338 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001303257114 1067784238 /nfs/dbraw/zinc/78/42/38/1067784238.db2.gz RUEUYRQAPVXBJE-UHFFFAOYSA-N 1 1 482.654 3.349 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001303257072 1067784261 /nfs/dbraw/zinc/78/42/61/1067784261.db2.gz RAYSMRYXIVTUHW-UHFFFAOYSA-N 1 1 487.958 3.229 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001303257378 1067784304 /nfs/dbraw/zinc/78/43/04/1067784304.db2.gz GLJCJDPZPWURFC-UHFFFAOYSA-N 1 1 489.668 3.479 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001303258711 1067785367 /nfs/dbraw/zinc/78/53/67/1067785367.db2.gz OFDFMSWRRBWQAR-GOSISDBHSA-N 1 1 479.551 3.248 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCCC3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001303258705 1067785446 /nfs/dbraw/zinc/78/54/46/1067785446.db2.gz OEAAZGMQVVTPPE-UHFFFAOYSA-N 1 1 451.681 3.317 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cnnn2)CC1 ZINC001303258715 1067785608 /nfs/dbraw/zinc/78/56/08/1067785608.db2.gz OFZDKTGODAHUMX-UHFFFAOYSA-N 1 1 472.041 3.156 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2Br)nnc1N(C)CC(=O)NC(C)(C)C ZINC001304714796 1067786159 /nfs/dbraw/zinc/78/61/59/1067786159.db2.gz VFPTXLJSOOFQAB-UHFFFAOYSA-N 1 1 474.407 3.264 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCOCC2)CC1 ZINC001303261519 1067787653 /nfs/dbraw/zinc/78/76/53/1067787653.db2.gz LMRJFYBIDRCGJM-FGZHOGPDSA-N 1 1 477.694 3.295 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304716321 1067788015 /nfs/dbraw/zinc/78/80/15/1067788015.db2.gz WYXOEUHBJUZVBV-GJZUVCINSA-N 1 1 487.693 3.426 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccco2)CC1 ZINC001303261554 1067788194 /nfs/dbraw/zinc/78/81/94/1067788194.db2.gz NDEQMEBSHYXRCQ-UHFFFAOYSA-N 1 1 456.616 3.468 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001304716486 1067788229 /nfs/dbraw/zinc/78/82/29/1067788229.db2.gz SACKDVQYHVULKN-OAHLLOKOSA-N 1 1 460.007 3.096 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001304716485 1067788271 /nfs/dbraw/zinc/78/82/71/1067788271.db2.gz SACKDVQYHVULKN-HNNXBMFYSA-N 1 1 460.007 3.096 20 0 JGADMO Cc1[nH+]ccn1CCn1c(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 ZINC001304716697 1067788596 /nfs/dbraw/zinc/78/85/96/1067788596.db2.gz YDSPSXWGFQZNRH-OALUTQOASA-N 1 1 470.643 3.211 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001303263221 1067790122 /nfs/dbraw/zinc/79/01/22/1067790122.db2.gz MWJBUDYPTQRUPJ-UHFFFAOYSA-N 1 1 489.064 3.404 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnccn2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001304718912 1067790388 /nfs/dbraw/zinc/79/03/88/1067790388.db2.gz GDKNGHJTANAIBQ-GOSISDBHSA-N 1 1 451.623 3.234 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001303263614 1067790789 /nfs/dbraw/zinc/79/07/89/1067790789.db2.gz QBHUHGIETHAJHY-QHCPKHFHSA-N 1 1 463.026 3.498 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001303263786 1067791285 /nfs/dbraw/zinc/79/12/85/1067791285.db2.gz FABVRFAEUYKOLE-ROUUACIJSA-N 1 1 489.690 3.291 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2F)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304720242 1067791470 /nfs/dbraw/zinc/79/14/70/1067791470.db2.gz NFHVKYLUUXZZFI-UHFFFAOYSA-N 1 1 482.652 3.345 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001303264696 1067792008 /nfs/dbraw/zinc/79/20/08/1067792008.db2.gz MZGGZGCKANAYMS-DEOSSOPVSA-N 1 1 470.021 3.303 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001303265091 1067792277 /nfs/dbraw/zinc/79/22/77/1067792277.db2.gz GJEKMJPSPXMWJY-OAQYLSRUSA-N 1 1 458.582 3.242 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCOC2(CCOCC2)C1 ZINC001303265383 1067792484 /nfs/dbraw/zinc/79/24/84/1067792484.db2.gz HKZXQHLESURUOD-UHFFFAOYSA-N 1 1 463.573 3.263 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303266180 1067793080 /nfs/dbraw/zinc/79/30/80/1067793080.db2.gz NIUHRDRZTAGEHO-FQEVSTJZSA-N 1 1 464.655 3.396 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(F)(F)CC1 ZINC001303266168 1067793243 /nfs/dbraw/zinc/79/32/43/1067793243.db2.gz MZJNJLKORMHPKX-UHFFFAOYSA-N 1 1 462.593 3.418 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1F)C1CC1 ZINC001303266346 1067793378 /nfs/dbraw/zinc/79/33/78/1067793378.db2.gz PFXUIDNCTQXADI-GOSISDBHSA-N 1 1 481.613 3.358 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001303266503 1067793746 /nfs/dbraw/zinc/79/37/46/1067793746.db2.gz QXHJGODZQOPCTK-HSZRJFAPSA-N 1 1 467.662 3.015 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001303266879 1067794366 /nfs/dbraw/zinc/79/43/66/1067794366.db2.gz WVBDHGCPKBTYEP-JOCHJYFZSA-N 1 1 468.646 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303267898 1067795456 /nfs/dbraw/zinc/79/54/56/1067795456.db2.gz JPOQMHVLDBMFHE-SFHVURJKSA-N 1 1 465.524 3.014 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Cc2cccs2)CC1 ZINC001304724919 1067796885 /nfs/dbraw/zinc/79/68/85/1067796885.db2.gz FDFVTJJDQYBADZ-GOSISDBHSA-N 1 1 498.701 3.029 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 ZINC001303268886 1067797533 /nfs/dbraw/zinc/79/75/33/1067797533.db2.gz SCJFHJXQCKAAFX-OAQYLSRUSA-N 1 1 450.587 3.270 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001303269480 1067798283 /nfs/dbraw/zinc/79/82/83/1067798283.db2.gz ZOZQYQRDHRVMOA-UXHICEINSA-N 1 1 491.681 3.172 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001303269491 1067798348 /nfs/dbraw/zinc/79/83/48/1067798348.db2.gz ZXRASDIIYKUBTA-JOCHJYFZSA-N 1 1 476.629 3.371 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CC(F)(F)F)CC1 ZINC001304725973 1067798433 /nfs/dbraw/zinc/79/84/33/1067798433.db2.gz NOESUOMNQRZJIY-UHFFFAOYSA-N 1 1 477.535 3.134 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001303270929 1067799526 /nfs/dbraw/zinc/79/95/26/1067799526.db2.gz MTEIXUBQNLHQTN-OPAMFIHVSA-N 1 1 451.974 3.462 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303271329 1067800102 /nfs/dbraw/zinc/80/01/02/1067800102.db2.gz QIDGROMIMOHNLO-IBGZPJMESA-N 1 1 459.616 3.435 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001303272036 1067800996 /nfs/dbraw/zinc/80/09/96/1067800996.db2.gz XTCKYHWZJKCPNT-MSOLQXFVSA-N 1 1 460.648 3.035 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001303275076 1067802138 /nfs/dbraw/zinc/80/21/38/1067802138.db2.gz RNOYHRUHLWZVCS-SFHVURJKSA-N 1 1 461.680 3.451 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275383 1067802746 /nfs/dbraw/zinc/80/27/46/1067802746.db2.gz BMGNDEQWFGEEJQ-SFTDATJTSA-N 1 1 454.619 3.002 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275380 1067802923 /nfs/dbraw/zinc/80/29/23/1067802923.db2.gz BMGNDEQWFGEEJQ-LEWJYISDSA-N 1 1 454.619 3.002 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 ZINC001303276019 1067803337 /nfs/dbraw/zinc/80/33/37/1067803337.db2.gz IJICEDLBZQFWKD-LJQANCHMSA-N 1 1 472.638 3.159 20 0 JGADMO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C(C)C ZINC001303276387 1067803944 /nfs/dbraw/zinc/80/39/44/1067803944.db2.gz LYVIUCZBJJGYFU-IBGZPJMESA-N 1 1 451.612 3.075 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001303276391 1067803986 /nfs/dbraw/zinc/80/39/86/1067803986.db2.gz MEMQOZUXEJHLMR-OAQYLSRUSA-N 1 1 466.609 3.243 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001303277082 1067804722 /nfs/dbraw/zinc/80/47/22/1067804722.db2.gz QXUGPNJKGNKMSW-CBQGHPETSA-N 1 1 490.693 3.330 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001303277659 1067805355 /nfs/dbraw/zinc/80/53/55/1067805355.db2.gz SSEBACZPVHZYPV-UHFFFAOYSA-N 1 1 479.604 3.142 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001303277999 1067805987 /nfs/dbraw/zinc/80/59/87/1067805987.db2.gz YOLJDWCKXBTRLO-QFIPXVFZSA-N 1 1 456.541 3.460 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001303278649 1067807395 /nfs/dbraw/zinc/80/73/95/1067807395.db2.gz MAZCBCZESGZYRX-SFHVURJKSA-N 1 1 475.037 3.346 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001303278704 1067807582 /nfs/dbraw/zinc/80/75/82/1067807582.db2.gz NNCKPTKKASTGJW-QFIPXVFZSA-N 1 1 484.428 3.500 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001303278817 1067807893 /nfs/dbraw/zinc/80/78/93/1067807893.db2.gz QZANJXWTTMEJQF-OYRHEFFESA-N 1 1 499.660 3.124 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001303278972 1067808467 /nfs/dbraw/zinc/80/84/67/1067808467.db2.gz XFOWUEYZWZKTKK-TZIWHRDSSA-N 1 1 473.641 3.398 20 0 JGADMO CC(C)N(Cc1cccc(F)c1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOCC1(C)C ZINC001303281625 1067808903 /nfs/dbraw/zinc/80/89/03/1067808903.db2.gz ALZDIVVLDBLGFM-UHFFFAOYSA-N 1 1 472.609 3.065 20 0 JGADMO CC(C)N(Cc1cccc(F)c1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOCC1(C)C ZINC001303281625 1067808913 /nfs/dbraw/zinc/80/89/13/1067808913.db2.gz ALZDIVVLDBLGFM-UHFFFAOYSA-N 1 1 472.609 3.065 20 0 JGADMO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC001304735728 1067809900 /nfs/dbraw/zinc/80/99/00/1067809900.db2.gz ZUORPYUIHRGBDP-HSZRJFAPSA-N 1 1 496.635 3.342 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001304736509 1067810679 /nfs/dbraw/zinc/81/06/79/1067810679.db2.gz MEXGJKOUWVTIBQ-UXHICEINSA-N 1 1 499.685 3.223 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304739703 1067813974 /nfs/dbraw/zinc/81/39/74/1067813974.db2.gz JSNNZINODKMFTR-WWPVKYPJSA-N 1 1 484.693 3.097 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)n1 ZINC001304740631 1067815744 /nfs/dbraw/zinc/81/57/44/1067815744.db2.gz LLOZUPOVXHKZMS-LJQANCHMSA-N 1 1 491.562 3.407 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)n1 ZINC001304740631 1067815755 /nfs/dbraw/zinc/81/57/55/1067815755.db2.gz LLOZUPOVXHKZMS-LJQANCHMSA-N 1 1 491.562 3.407 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCSC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001304740683 1067816072 /nfs/dbraw/zinc/81/60/72/1067816072.db2.gz QTACGYDXUYGIQF-OAQYLSRUSA-N 1 1 457.623 3.353 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304741166 1067817078 /nfs/dbraw/zinc/81/70/78/1067817078.db2.gz UISJGLSRBRIBIG-JYFHCDHNSA-N 1 1 465.646 3.257 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2C[C@](C)(O)C(C)C)n1 ZINC001304741167 1067817288 /nfs/dbraw/zinc/81/72/88/1067817288.db2.gz UISJGLSRBRIBIG-OZXSUGGESA-N 1 1 465.646 3.257 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304742477 1067819621 /nfs/dbraw/zinc/81/96/21/1067819621.db2.gz BWYFOPXKTHFPKD-HDICACEKSA-N 1 1 457.545 3.028 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304743106 1067820419 /nfs/dbraw/zinc/82/04/19/1067820419.db2.gz HITHVVZYMPODJZ-GMAHTHKFSA-N 1 1 451.619 3.133 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304743107 1067820490 /nfs/dbraw/zinc/82/04/90/1067820490.db2.gz HITHVVZYMPODJZ-JTHBVZDNSA-N 1 1 451.619 3.133 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)Oc2ccccc2C)n1 ZINC001304745268 1067824130 /nfs/dbraw/zinc/82/41/30/1067824130.db2.gz NPALXDOSSMDAGY-TZRRMPRUSA-N 1 1 495.672 3.461 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)Oc2ccccc2C)n1 ZINC001304745268 1067824146 /nfs/dbraw/zinc/82/41/46/1067824146.db2.gz NPALXDOSSMDAGY-TZRRMPRUSA-N 1 1 495.672 3.461 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCN(C)c3ccccc3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304745401 1067824586 /nfs/dbraw/zinc/82/45/86/1067824586.db2.gz PWDNPLKBYGZGSC-NRFANRHFSA-N 1 1 450.635 3.197 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304747360 1067826767 /nfs/dbraw/zinc/82/67/67/1067826767.db2.gz AFUXXVDCYVCXLD-RBBKRZOGSA-N 1 1 484.693 3.001 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304747580 1067826813 /nfs/dbraw/zinc/82/68/13/1067826813.db2.gz ANYANMJVJTXNMP-UHFFFAOYSA-N 1 1 465.646 3.261 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001303302124 1067826893 /nfs/dbraw/zinc/82/68/93/1067826893.db2.gz CFXNGCAXIDUVOG-DOTOQJQBSA-N 1 1 451.413 3.381 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303303002 1067828345 /nfs/dbraw/zinc/82/83/45/1067828345.db2.gz QJJRTSQDUKWSCG-ROUUACIJSA-N 1 1 456.557 3.413 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303302953 1067828379 /nfs/dbraw/zinc/82/83/79/1067828379.db2.gz CXBZTXCMDHPXBN-GBESFXJTSA-N 1 1 486.583 3.145 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303303802 1067829856 /nfs/dbraw/zinc/82/98/56/1067829856.db2.gz JKTRVTOGRRIUFY-WOJBJXKFSA-N 1 1 484.649 3.349 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303303801 1067829879 /nfs/dbraw/zinc/82/98/79/1067829879.db2.gz JKTRVTOGRRIUFY-VQTJNVASSA-N 1 1 484.649 3.349 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303304232 1067830329 /nfs/dbraw/zinc/83/03/29/1067830329.db2.gz FAWVRQSPLGKBFQ-UHFFFAOYSA-N 1 1 480.455 3.119 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303304509 1067831532 /nfs/dbraw/zinc/83/15/32/1067831532.db2.gz HZHYUPZVJOIHJF-KRWDZBQOSA-N 1 1 496.475 3.063 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303304641 1067832198 /nfs/dbraw/zinc/83/21/98/1067832198.db2.gz IXEHKJNMMZLFOC-VQTJNVASSA-N 1 1 465.689 3.064 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)F)CC1 ZINC001303304649 1067832373 /nfs/dbraw/zinc/83/23/73/1067832373.db2.gz JCBYHEVTLHXAAC-UHFFFAOYSA-N 1 1 460.573 3.050 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303304642 1067832442 /nfs/dbraw/zinc/83/24/42/1067832442.db2.gz IXEHKJNMMZLFOC-WOJBJXKFSA-N 1 1 465.689 3.064 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303305282 1067833785 /nfs/dbraw/zinc/83/37/85/1067833785.db2.gz SLECDIJTWVHKQM-RBUKOAKNSA-N 1 1 467.584 3.477 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303305961 1067834171 /nfs/dbraw/zinc/83/41/71/1067834171.db2.gz XBBFYPXHNYIWAK-PZJWPPBQSA-N 1 1 451.681 3.460 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304753296 1067834267 /nfs/dbraw/zinc/83/42/67/1067834267.db2.gz ASQCCNRAQNMPST-QFIPXVFZSA-N 1 1 497.623 3.019 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001303306137 1067834592 /nfs/dbraw/zinc/83/45/92/1067834592.db2.gz ZBUAFUGLSWVFGQ-WOJBJXKFSA-N 1 1 497.669 3.456 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001303307656 1067835521 /nfs/dbraw/zinc/83/55/21/1067835521.db2.gz GOCACTDCSSNQKO-OAQYLSRUSA-N 1 1 462.589 3.222 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001303308414 1067836516 /nfs/dbraw/zinc/83/65/16/1067836516.db2.gz VXJVVQWGCSTFGK-UHFFFAOYSA-N 1 1 466.051 3.344 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001304755093 1067837739 /nfs/dbraw/zinc/83/77/39/1067837739.db2.gz VMWMPGSMLHLZQJ-SIKLNZKXSA-N 1 1 484.693 3.001 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001303310409 1067838228 /nfs/dbraw/zinc/83/82/28/1067838228.db2.gz HWKZZIFEIXGNRK-FQEVSTJZSA-N 1 1 477.053 3.152 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCOC2)CC1 ZINC001303310487 1067838902 /nfs/dbraw/zinc/83/89/02/1067838902.db2.gz MWOKCLORWMMWSY-FQEVSTJZSA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 ZINC001303310634 1067838947 /nfs/dbraw/zinc/83/89/47/1067838947.db2.gz PXAGVKXIWMSHCP-QGZVFWFLSA-N 1 1 463.424 3.298 20 0 JGADMO CC(C)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001303310800 1067839494 /nfs/dbraw/zinc/83/94/94/1067839494.db2.gz MFMFFZXYPFEJMU-JOCHJYFZSA-N 1 1 453.679 3.317 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304756398 1067840169 /nfs/dbraw/zinc/84/01/69/1067840169.db2.gz NWSBHXMYJNASKV-QHCPKHFHSA-N 1 1 498.720 3.250 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001303311177 1067840160 /nfs/dbraw/zinc/84/01/60/1067840160.db2.gz SRLDFZUOFBGAKV-UHFFFAOYSA-N 1 1 466.472 3.164 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CC1 ZINC001303311342 1067840417 /nfs/dbraw/zinc/84/04/17/1067840417.db2.gz ZRFOXAMHSXRIHP-OAQYLSRUSA-N 1 1 477.700 3.034 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(F)(F)Br)n1 ZINC001304757961 1067842058 /nfs/dbraw/zinc/84/20/58/1067842058.db2.gz AZFSSHKCXLQHAB-UHFFFAOYSA-N 1 1 474.398 3.438 20 0 JGADMO CC(C)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001303316939 1067844854 /nfs/dbraw/zinc/84/48/54/1067844854.db2.gz GWVDWZYLLJQWBK-UHFFFAOYSA-N 1 1 468.671 3.450 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(F)(F)F)CC2)C1 ZINC001303318164 1067848542 /nfs/dbraw/zinc/84/85/42/1067848542.db2.gz JQNWVDOQBQCJOP-LJQANCHMSA-N 1 1 486.970 3.392 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCSC3(C)C)CC2)C1 ZINC001303318158 1067848552 /nfs/dbraw/zinc/84/85/52/1067848552.db2.gz JHOBPTSDGHTJGJ-SFTDATJTSA-N 1 1 478.751 3.339 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(Cc4ccsc4)n3CCC(C)(C)O)CC2)CC1 ZINC001303318741 1067850672 /nfs/dbraw/zinc/85/06/72/1067850672.db2.gz ZWGINHHLSPABBR-UHFFFAOYSA-N 1 1 460.692 3.086 20 0 JGADMO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001304767244 1067857828 /nfs/dbraw/zinc/85/78/28/1067857828.db2.gz UXRGGBJKTRONFB-XQBPLPMBSA-N 1 1 472.682 3.200 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303334907 1067863949 /nfs/dbraw/zinc/86/39/49/1067863949.db2.gz ANXCZCCNJCABPV-LBPRGKRZSA-N 1 1 459.542 3.011 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001303337203 1067866818 /nfs/dbraw/zinc/86/68/18/1067866818.db2.gz NBAJPNRCHYXNFH-XUZZJYLKSA-N 1 1 480.657 3.214 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001303337201 1067866879 /nfs/dbraw/zinc/86/68/79/1067866879.db2.gz NBAJPNRCHYXNFH-QPPBQGQZSA-N 1 1 480.657 3.214 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001303341618 1067870141 /nfs/dbraw/zinc/87/01/41/1067870141.db2.gz CLGKEPJJQMBWBM-CALCHBBNSA-N 1 1 482.551 3.029 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001303341618 1067870156 /nfs/dbraw/zinc/87/01/56/1067870156.db2.gz CLGKEPJJQMBWBM-CALCHBBNSA-N 1 1 482.551 3.029 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOC(C)(C)C)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303341972 1067870554 /nfs/dbraw/zinc/87/05/54/1067870554.db2.gz IZTIWHCREOKIRU-IBGZPJMESA-N 1 1 456.635 3.114 20 0 JGADMO Cc1nnc(CCn2c(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nnc2C(C)(C)C)s1 ZINC001304779712 1067875458 /nfs/dbraw/zinc/87/54/58/1067875458.db2.gz JBPNOVQNEYKMIS-CALCHBBNSA-N 1 1 461.680 3.304 20 0 JGADMO Cc1nnc(CCn2c(COc3ccc(C)c(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304781001 1067876169 /nfs/dbraw/zinc/87/61/69/1067876169.db2.gz XGDUAYYBMCBOOO-BGYRXZFFSA-N 1 1 499.685 3.422 20 0 JGADMO Cc1nnc(CCn2c(COc3ccc(C)c(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304781001 1067876186 /nfs/dbraw/zinc/87/61/86/1067876186.db2.gz XGDUAYYBMCBOOO-BGYRXZFFSA-N 1 1 499.685 3.422 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303352708 1067879485 /nfs/dbraw/zinc/87/94/85/1067879485.db2.gz JPSSYWIOEUAGPC-QPPBQGQZSA-N 1 1 481.689 3.072 20 0 JGADMO Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304789038 1067882146 /nfs/dbraw/zinc/88/21/46/1067882146.db2.gz SNIRAMGRHFOZAD-OALUTQOASA-N 1 1 456.591 3.241 20 0 JGADMO Cc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001304793400 1067883485 /nfs/dbraw/zinc/88/34/85/1067883485.db2.gz WLFBFTNBPBJCQQ-HXUWFJFHSA-N 1 1 455.550 3.450 20 0 JGADMO Cc1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304796510 1067884475 /nfs/dbraw/zinc/88/44/75/1067884475.db2.gz VDNCQAZSPBWVFO-LJQANCHMSA-N 1 1 452.525 3.184 20 0 JGADMO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001304800560 1067884774 /nfs/dbraw/zinc/88/47/74/1067884774.db2.gz YKDGTWLMPRKBGE-JOCHJYFZSA-N 1 1 454.619 3.412 20 0 JGADMO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001304800718 1067884920 /nfs/dbraw/zinc/88/49/20/1067884920.db2.gz YZSYPGRCNGVIDB-WOJBJXKFSA-N 1 1 454.619 3.412 20 0 JGADMO Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001304800932 1067885317 /nfs/dbraw/zinc/88/53/17/1067885317.db2.gz XGXDKOOBFYWEJK-OKILXGFUSA-N 1 1 452.390 3.135 20 0 JGADMO Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001304800932 1067885334 /nfs/dbraw/zinc/88/53/34/1067885334.db2.gz XGXDKOOBFYWEJK-OKILXGFUSA-N 1 1 452.390 3.135 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303359099 1067886417 /nfs/dbraw/zinc/88/64/17/1067886417.db2.gz NCIDUVYSPCONHP-UHFFFAOYSA-N 1 1 470.565 3.315 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303359099 1067886437 /nfs/dbraw/zinc/88/64/37/1067886437.db2.gz NCIDUVYSPCONHP-UHFFFAOYSA-N 1 1 470.565 3.315 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001303359526 1067887279 /nfs/dbraw/zinc/88/72/79/1067887279.db2.gz YDTSRBFBEDYBTB-CYBMUJFWSA-N 1 1 470.462 3.222 20 0 JGADMO Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304813832 1067889042 /nfs/dbraw/zinc/88/90/42/1067889042.db2.gz PEFOROPGIDVIPQ-QGZVFWFLSA-N 1 1 468.631 3.204 20 0 JGADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001304822947 1067892956 /nfs/dbraw/zinc/89/29/56/1067892956.db2.gz TYVYBSWIUHIDRP-RXVVDRJESA-N 1 1 472.600 3.331 20 0 JGADMO Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001304839863 1067899692 /nfs/dbraw/zinc/89/96/92/1067899692.db2.gz KPYADRISIWXTNW-DNQXCXABSA-N 1 1 498.672 3.427 20 0 JGADMO Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001304841284 1067900021 /nfs/dbraw/zinc/90/00/21/1067900021.db2.gz FDTRXWHPYGFZKH-UWJYYQICSA-N 1 1 467.536 3.403 20 0 JGADMO Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001304841284 1067900027 /nfs/dbraw/zinc/90/00/27/1067900027.db2.gz FDTRXWHPYGFZKH-UWJYYQICSA-N 1 1 467.536 3.403 20 0 JGADMO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCCOC(F)(F)F ZINC001304844323 1067901037 /nfs/dbraw/zinc/90/10/37/1067901037.db2.gz GNYQYGGRDYYZBF-NRFANRHFSA-N 1 1 453.509 3.384 20 0 JGADMO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCCOC(F)(F)F ZINC001304844323 1067901040 /nfs/dbraw/zinc/90/10/40/1067901040.db2.gz GNYQYGGRDYYZBF-NRFANRHFSA-N 1 1 453.509 3.384 20 0 JGADMO Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304849229 1067902964 /nfs/dbraw/zinc/90/29/64/1067902964.db2.gz SBEVPIMPDONUMR-FQEVSTJZSA-N 1 1 463.001 3.462 20 0 JGADMO Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001304850488 1067903685 /nfs/dbraw/zinc/90/36/85/1067903685.db2.gz QIOWBAKHXZPHQW-IBGZPJMESA-N 1 1 456.610 3.127 20 0 JGADMO Cc1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304857963 1067907594 /nfs/dbraw/zinc/90/75/94/1067907594.db2.gz DQCDXVMHXZRGNN-HFMPRLQTSA-N 1 1 454.663 3.199 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303379743 1067909390 /nfs/dbraw/zinc/90/93/90/1067909390.db2.gz PYUTZJCCTTXPBI-FQEVSTJZSA-N 1 1 460.573 3.378 20 0 JGADMO Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001304860030 1067909619 /nfs/dbraw/zinc/90/96/19/1067909619.db2.gz KAZYLQNTHPFSMM-NZQKXSOJSA-N 1 1 484.645 3.433 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303382306 1067911439 /nfs/dbraw/zinc/91/14/39/1067911439.db2.gz TZIXQDFAIGIAIC-FHWLQOOXSA-N 1 1 491.681 3.029 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304865848 1067911529 /nfs/dbraw/zinc/91/15/29/1067911529.db2.gz HLYTUHBLGUEZED-LAUBAEHRSA-N 1 1 465.545 3.267 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304867522 1067912301 /nfs/dbraw/zinc/91/23/01/1067912301.db2.gz QZSCLIZHHYBQRF-RTWAWAEBSA-N 1 1 494.562 3.126 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304868205 1067912627 /nfs/dbraw/zinc/91/26/27/1067912627.db2.gz SYCYTMXCNMUKNA-QFIPXVFZSA-N 1 1 478.588 3.039 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001303385199 1067913410 /nfs/dbraw/zinc/91/34/10/1067913410.db2.gz IOQFRPJOQQPNOI-RXVVDRJESA-N 1 1 490.599 3.167 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001303385199 1067913417 /nfs/dbraw/zinc/91/34/17/1067913417.db2.gz IOQFRPJOQQPNOI-RXVVDRJESA-N 1 1 490.599 3.167 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001303385200 1067913445 /nfs/dbraw/zinc/91/34/45/1067913445.db2.gz IOQFRPJOQQPNOI-WIYYLYMNSA-N 1 1 490.599 3.167 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001303385200 1067913451 /nfs/dbraw/zinc/91/34/51/1067913451.db2.gz IOQFRPJOQQPNOI-WIYYLYMNSA-N 1 1 490.599 3.167 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001303385198 1067913494 /nfs/dbraw/zinc/91/34/94/1067913494.db2.gz IOQFRPJOQQPNOI-NQIIRXRSSA-N 1 1 490.599 3.167 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001303385198 1067913500 /nfs/dbraw/zinc/91/35/00/1067913500.db2.gz IOQFRPJOQQPNOI-NQIIRXRSSA-N 1 1 490.599 3.167 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(CC4CCCC4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001304873933 1067916391 /nfs/dbraw/zinc/91/63/91/1067916391.db2.gz FVXZRHCDMGJOFG-LJQANCHMSA-N 1 1 458.655 3.316 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303389752 1067918716 /nfs/dbraw/zinc/91/87/16/1067918716.db2.gz WICPNODRUOVPKX-GOTSBHOMSA-N 1 1 468.646 3.191 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC001304876077 1067920272 /nfs/dbraw/zinc/92/02/72/1067920272.db2.gz QAXOCXLNSFZUGT-TZIWHRDSSA-N 1 1 458.655 3.172 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303391079 1067920728 /nfs/dbraw/zinc/92/07/28/1067920728.db2.gz BMTDQURCDSTQJW-UYAOXDASSA-N 1 1 460.648 3.320 20 0 JGADMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)c1 ZINC001303393387 1067921961 /nfs/dbraw/zinc/92/19/61/1067921961.db2.gz WOYBVPCLUFOLQJ-UHFFFAOYSA-N 1 1 452.555 3.014 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001303396396 1067923742 /nfs/dbraw/zinc/92/37/42/1067923742.db2.gz CNOXJUGXHMFJNE-VWLOTQADSA-N 1 1 489.064 3.432 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001303396555 1067924145 /nfs/dbraw/zinc/92/41/45/1067924145.db2.gz KQXWOQPEBPYYIR-UHFFFAOYSA-N 1 1 470.666 3.057 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCc1c(F)cccc1F ZINC001303396915 1067925202 /nfs/dbraw/zinc/92/52/02/1067925202.db2.gz XSQSRJZORLBVEQ-UHFFFAOYSA-N 1 1 460.573 3.392 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001303397397 1067926116 /nfs/dbraw/zinc/92/61/16/1067926116.db2.gz HZIOIWNKGKJFRD-SFTDATJTSA-N 1 1 468.646 3.332 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304885410 1067929375 /nfs/dbraw/zinc/92/93/75/1067929375.db2.gz XLMCXYYSCADPIF-HSZRJFAPSA-N 1 1 497.619 3.192 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303402240 1067930533 /nfs/dbraw/zinc/93/05/33/1067930533.db2.gz IPNHCDFKORTDSV-HXUWFJFHSA-N 1 1 453.635 3.137 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(COc2ccccc2F)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001304886582 1067930754 /nfs/dbraw/zinc/93/07/54/1067930754.db2.gz NIKJGVCJTSGZBY-QGZVFWFLSA-N 1 1 472.565 3.206 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303404585 1067932988 /nfs/dbraw/zinc/93/29/88/1067932988.db2.gz WXNJXSVBTKDQIY-FQEVSTJZSA-N 1 1 485.652 3.393 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303407182 1067934124 /nfs/dbraw/zinc/93/41/24/1067934124.db2.gz AZVMHMJDUSPRAK-QFIPXVFZSA-N 1 1 481.689 3.392 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001303407894 1067934929 /nfs/dbraw/zinc/93/49/29/1067934929.db2.gz KRHBQTUUKADSNE-KRWDZBQOSA-N 1 1 462.689 3.332 20 0 JGADMO Cc1noc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)C2)n1 ZINC001304892133 1067936788 /nfs/dbraw/zinc/93/67/88/1067936788.db2.gz PALBYBLKJOEGMT-PMACEKPBSA-N 1 1 459.639 3.179 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCc1ccc(F)c(F)c1F ZINC001303410650 1067937362 /nfs/dbraw/zinc/93/73/62/1067937362.db2.gz XJCZKBBTKMVCKX-UHFFFAOYSA-N 1 1 492.571 3.460 20 0 JGADMO Cc1noc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001304894243 1067938796 /nfs/dbraw/zinc/93/87/96/1067938796.db2.gz KOLORLKNOUUFBP-UHFFFAOYSA-N 1 1 477.411 3.280 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303414627 1067941569 /nfs/dbraw/zinc/94/15/69/1067941569.db2.gz MITZJANSDYGHLF-PZJWPPBQSA-N 1 1 470.549 3.029 20 0 JGADMO Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001304898675 1067942537 /nfs/dbraw/zinc/94/25/37/1067942537.db2.gz ZUUQWDRZXRNOCY-OTWHNJEPSA-N 1 1 472.565 3.447 20 0 JGADMO Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001304898675 1067942547 /nfs/dbraw/zinc/94/25/47/1067942547.db2.gz ZUUQWDRZXRNOCY-OTWHNJEPSA-N 1 1 472.565 3.447 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303415369 1067943111 /nfs/dbraw/zinc/94/31/11/1067943111.db2.gz WDUPIGBRHQCVHX-NRFANRHFSA-N 1 1 472.609 3.255 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303416177 1067944029 /nfs/dbraw/zinc/94/40/29/1067944029.db2.gz MIDFQBFNTYLSGG-HSZRJFAPSA-N 1 1 482.673 3.376 20 0 JGADMO Cc1cc(Cn2c(CCc3ccccc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)on1 ZINC001304901497 1067944954 /nfs/dbraw/zinc/94/49/54/1067944954.db2.gz LXFXYZGSEPTEEA-UHFFFAOYSA-N 1 1 452.603 3.203 20 0 JGADMO Cc1nsc(N2CCCN(c3nnc(CC(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC001304901712 1067945257 /nfs/dbraw/zinc/94/52/57/1067945257.db2.gz JILALTFKBZLZFP-IBGZPJMESA-N 1 1 460.696 3.474 20 0 JGADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+](C)C1CCCCC1 ZINC001304903091 1067947442 /nfs/dbraw/zinc/94/74/42/1067947442.db2.gz MJOCWSGVRLVVGO-KRWDZBQOSA-N 1 1 476.572 3.478 20 0 JGADMO Cc1nsc(N2CCCN(c3nnc(CCc4ccccc4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001304903781 1067948443 /nfs/dbraw/zinc/94/84/43/1067948443.db2.gz QLGOMTRQXQPCRC-UHFFFAOYSA-N 1 1 468.675 3.280 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001303424891 1067949594 /nfs/dbraw/zinc/94/95/94/1067949594.db2.gz AJAYZBYACGJFJL-UHFFFAOYSA-N 1 1 493.656 3.203 20 0 JGADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304907472 1067950853 /nfs/dbraw/zinc/95/08/53/1067950853.db2.gz KWFODSQFMJEUDG-IBGZPJMESA-N 1 1 452.647 3.371 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304909124 1067952573 /nfs/dbraw/zinc/95/25/73/1067952573.db2.gz AYRBHMUHKAKZDW-HDICACEKSA-N 1 1 451.681 3.001 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304910662 1067953710 /nfs/dbraw/zinc/95/37/10/1067953710.db2.gz JEHIWURIWAITAS-WOZUAGRISA-N 1 1 480.723 3.437 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912519 1067956403 /nfs/dbraw/zinc/95/64/03/1067956403.db2.gz QFWYCBRBKCJNNZ-QHAWAJNXSA-N 1 1 484.693 3.290 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912547 1067956461 /nfs/dbraw/zinc/95/64/61/1067956461.db2.gz QRZFSAIGYZOMRI-CEXWTWQISA-N 1 1 474.675 3.339 20 0 JGADMO CC(C)NC(=O)CCn1c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001303432483 1067957072 /nfs/dbraw/zinc/95/70/72/1067957072.db2.gz MDLISRCFHOQWIT-SZPZYZBQSA-N 1 1 482.673 3.208 20 0 JGADMO CC(C)NC(=O)CCn1c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001303432483 1067957079 /nfs/dbraw/zinc/95/70/79/1067957079.db2.gz MDLISRCFHOQWIT-SZPZYZBQSA-N 1 1 482.673 3.208 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304913197 1067957578 /nfs/dbraw/zinc/95/75/78/1067957578.db2.gz VGJAKGXLBILXIQ-JQVVWYNYSA-N 1 1 468.646 3.274 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)C1 ZINC001304914309 1067958359 /nfs/dbraw/zinc/95/83/59/1067958359.db2.gz YROZVBRVQKBRAV-KDURUIRLSA-N 1 1 487.693 3.144 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303436189 1067959514 /nfs/dbraw/zinc/95/95/14/1067959514.db2.gz QOZGCHIEQVDVGC-INIZCTEOSA-N 1 1 463.424 3.153 20 0 JGADMO C[C@@H]1C[C@H](C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001304918502 1067961022 /nfs/dbraw/zinc/96/10/22/1067961022.db2.gz HFPOHRFDTLWLHT-ZSDSOXJFSA-N 1 1 466.399 3.396 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303438304 1067962443 /nfs/dbraw/zinc/96/24/43/1067962443.db2.gz WDXAEQIYMYPYAT-HXUWFJFHSA-N 1 1 495.628 3.062 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001304922551 1067963611 /nfs/dbraw/zinc/96/36/11/1067963611.db2.gz BEJLJACIJZMUAB-BGYRXZFFSA-N 1 1 498.676 3.034 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923455 1067965237 /nfs/dbraw/zinc/96/52/37/1067965237.db2.gz FYYBGQVIXHFJDW-HDICACEKSA-N 1 1 488.599 3.068 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303444268 1067966429 /nfs/dbraw/zinc/96/64/29/1067966429.db2.gz RYLZIBQWKYMGDN-MDNUFGMLSA-N 1 1 468.646 3.391 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924180 1067966667 /nfs/dbraw/zinc/96/66/67/1067966667.db2.gz HXCIMFKFWQSCGC-PLACYPQZSA-N 1 1 476.691 3.454 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCC2)C1 ZINC001304924325 1067966972 /nfs/dbraw/zinc/96/69/72/1067966972.db2.gz HUCYOUZXFXLRQE-SVFBPWRDSA-N 1 1 451.681 3.175 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304925115 1067968148 /nfs/dbraw/zinc/96/81/48/1067968148.db2.gz KYGPFFIJVQYXFR-XJUOHMSHSA-N 1 1 484.693 3.178 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925855 1067969476 /nfs/dbraw/zinc/96/94/76/1067969476.db2.gz PDROFUZBYOTISK-IXDOHACOSA-N 1 1 494.482 3.114 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001303448817 1067970544 /nfs/dbraw/zinc/97/05/44/1067970544.db2.gz ZMYYXPVFGCQQDP-HXUWFJFHSA-N 1 1 468.005 3.229 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001304927110 1067972319 /nfs/dbraw/zinc/97/23/19/1067972319.db2.gz IULBSOJNSGKCOS-BDTNDASRSA-N 1 1 489.709 3.170 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304927387 1067973310 /nfs/dbraw/zinc/97/33/10/1067973310.db2.gz UVOVRAZCWGRHSL-MZKRTTBSSA-N 1 1 468.646 3.275 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)CC2)C1 ZINC001304927653 1067974001 /nfs/dbraw/zinc/97/40/01/1067974001.db2.gz XJXSWPRCMAURNU-HDICACEKSA-N 1 1 489.462 3.402 20 0 JGADMO C[C@@H]1C[C@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927767 1067974324 /nfs/dbraw/zinc/97/43/24/1067974324.db2.gz SEKVFLMKHRZRQI-FGYAAKKASA-N 1 1 474.675 3.251 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928140 1067975155 /nfs/dbraw/zinc/97/51/55/1067975155.db2.gz SVJMDJWUODVLQE-LNRXMEIDSA-N 1 1 460.667 3.322 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001304928107 1067975203 /nfs/dbraw/zinc/97/52/03/1067975203.db2.gz MHGXMBKJLLGISK-PLACYPQZSA-N 1 1 465.708 3.421 20 0 JGADMO CC(C)[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928176 1067975734 /nfs/dbraw/zinc/97/57/34/1067975734.db2.gz UDRFQZCPAPNVTJ-PLACYPQZSA-N 1 1 468.712 3.129 20 0 JGADMO CC(C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001303457173 1067976043 /nfs/dbraw/zinc/97/60/43/1067976043.db2.gz FNFKTSPPFOKLFJ-RUZDIDTESA-N 1 1 495.716 3.350 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928746 1067976578 /nfs/dbraw/zinc/97/65/78/1067976578.db2.gz QOSMOYFIOQQOIO-AOHZBQACSA-N 1 1 481.689 3.373 20 0 JGADMO CC(C)NC(=O)Nc1ccc(Cn2c(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001303459614 1067978962 /nfs/dbraw/zinc/97/89/62/1067978962.db2.gz HXTSDBOFJGYLNV-KNQAVFIVSA-N 1 1 483.661 3.311 20 0 JGADMO C[C@H]1C[C@H](CCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001304938693 1067987734 /nfs/dbraw/zinc/98/77/34/1067987734.db2.gz OIFIXRAVQXMHIY-UNMCSNQZSA-N 1 1 490.656 3.387 20 0 JGADMO CCc1[nH+]ccn1CCNC(=O)c1csc(I)c1Br ZINC001303469718 1067989264 /nfs/dbraw/zinc/98/92/64/1067989264.db2.gz JIFZVMDWZOMGGP-UHFFFAOYSA-N 1 1 454.131 3.304 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303480217 1067999416 /nfs/dbraw/zinc/99/94/16/1067999416.db2.gz AQRSRMAAYPHGPS-DFIYOIEZSA-N 1 1 475.634 3.436 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303480217 1067999426 /nfs/dbraw/zinc/99/94/26/1067999426.db2.gz AQRSRMAAYPHGPS-DFIYOIEZSA-N 1 1 475.634 3.436 20 0 JGADMO C[C@H]1C[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304948673 1067999471 /nfs/dbraw/zinc/99/94/71/1067999471.db2.gz CABUFOKUXCUKFK-LWYYNNOASA-N 1 1 476.666 3.252 20 0 JGADMO C[C@H]1C[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304948673 1067999482 /nfs/dbraw/zinc/99/94/82/1067999482.db2.gz CABUFOKUXCUKFK-LWYYNNOASA-N 1 1 476.666 3.252 20 0 JGADMO C[C@@H]1C[C@@H](N(C)c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001304950215 1068000109 /nfs/dbraw/zinc/00/01/09/1068000109.db2.gz MVCGTFXMLJRFID-MZYLBHOOSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(F)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303481531 1068002763 /nfs/dbraw/zinc/00/27/63/1068002763.db2.gz PPBQWAXUIFYHRB-JYFHCDHNSA-N 1 1 489.636 3.451 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303481958 1068003639 /nfs/dbraw/zinc/00/36/39/1068003639.db2.gz UPOXRPTUWCOGQK-RUZDIDTESA-N 1 1 475.609 3.205 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303481958 1068003655 /nfs/dbraw/zinc/00/36/55/1068003655.db2.gz UPOXRPTUWCOGQK-RUZDIDTESA-N 1 1 475.609 3.205 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001304968491 1068009199 /nfs/dbraw/zinc/00/91/99/1068009199.db2.gz DPJXEXOAMLVTBR-HFCFLWKCSA-N 1 1 480.704 3.023 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304971631 1068011846 /nfs/dbraw/zinc/01/18/46/1068011846.db2.gz ZHOGLQDVARJBEN-JEVOJNTISA-N 1 1 454.685 3.024 20 0 JGADMO CC1CCC(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001304973553 1068013301 /nfs/dbraw/zinc/01/33/01/1068013301.db2.gz AEZQYKMHGGHOBI-FRIDPHNBSA-N 1 1 490.693 3.474 20 0 JGADMO CC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304973967 1068014060 /nfs/dbraw/zinc/01/40/60/1068014060.db2.gz DDKJRZYLASVINV-UJKMTWAASA-N 1 1 460.667 3.477 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001303491009 1068016461 /nfs/dbraw/zinc/01/64/61/1068016461.db2.gz XPDMTODWVGIGON-NRFANRHFSA-N 1 1 457.541 3.359 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@H]3C(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303501310 1068029445 /nfs/dbraw/zinc/02/94/45/1068029445.db2.gz MTAZWTCRUKWHPK-WRALFONMSA-N 1 1 463.667 3.444 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303501845 1068030665 /nfs/dbraw/zinc/03/06/65/1068030665.db2.gz PLINZKSACYYPLO-URXFXBBRSA-N 1 1 459.639 3.124 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCOC1 ZINC001303502265 1068031625 /nfs/dbraw/zinc/03/16/25/1068031625.db2.gz MDZVWGTYBJVEMF-GJZUVCINSA-N 1 1 476.710 3.217 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001304994902 1068036842 /nfs/dbraw/zinc/03/68/42/1068036842.db2.gz FIQDZQXNUXRZFU-XZOQPEGZSA-N 1 1 487.737 3.483 20 0 JGADMO C[C@@H]1CCC[C@@]1(O)Cn1c(Cc2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304995656 1068038332 /nfs/dbraw/zinc/03/83/32/1068038332.db2.gz OJVLMHAMRWHQTP-MVOHMCPASA-N 1 1 459.610 3.105 20 0 JGADMO C[C@@H]1CCC[C@@]1(O)Cn1c(Cc2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304995656 1068038347 /nfs/dbraw/zinc/03/83/47/1068038347.db2.gz OJVLMHAMRWHQTP-MVOHMCPASA-N 1 1 459.610 3.105 20 0 JGADMO CC(C)O[C@@]1(c2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303509514 1068043324 /nfs/dbraw/zinc/04/33/24/1068043324.db2.gz ILKZDJYXYPGWLK-XLIONFOSSA-N 1 1 453.538 3.179 20 0 JGADMO CC(C)O[C@]1(c2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303509515 1068043448 /nfs/dbraw/zinc/04/34/48/1068043448.db2.gz ILKZDJYXYPGWLK-YLJYHZDGSA-N 1 1 453.538 3.179 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCO[C@@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001305004285 1068046574 /nfs/dbraw/zinc/04/65/74/1068046574.db2.gz LWHXBBOEACQGDY-PIATZUFCSA-N 1 1 470.662 3.405 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCO[C@@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001305004285 1068046586 /nfs/dbraw/zinc/04/65/86/1068046586.db2.gz LWHXBBOEACQGDY-PIATZUFCSA-N 1 1 470.662 3.405 20 0 JGADMO CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC001303511553 1068047412 /nfs/dbraw/zinc/04/74/12/1068047412.db2.gz JZLNPORDUJXKIO-OAQYLSRUSA-N 1 1 456.635 3.256 20 0 JGADMO C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305005129 1068047561 /nfs/dbraw/zinc/04/75/61/1068047561.db2.gz QIEBYPWXZSTTQB-IRLDBZIGSA-N 1 1 473.666 3.069 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001305012732 1068053338 /nfs/dbraw/zinc/05/33/38/1068053338.db2.gz BCXOKKROLYCONJ-FPOVZHCZSA-N 1 1 465.708 3.491 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303524060 1068054433 /nfs/dbraw/zinc/05/44/33/1068054433.db2.gz LSWMVPYCIHJADI-QHAWAJNXSA-N 1 1 463.667 3.454 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N(C)CCS(C)(=O)=O ZINC001305014090 1068054918 /nfs/dbraw/zinc/05/49/18/1068054918.db2.gz DKADIQVUXOAWBU-QGZVFWFLSA-N 1 1 454.040 3.344 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 ZINC001305013996 1068055032 /nfs/dbraw/zinc/05/50/32/1068055032.db2.gz OWBQZWJGDONGJU-UXHICEINSA-N 1 1 477.650 3.143 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001305013962 1068055173 /nfs/dbraw/zinc/05/51/73/1068055173.db2.gz OKBHLGMGDQHNET-UXHICEINSA-N 1 1 486.665 3.294 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)CC1 ZINC001305014073 1068055200 /nfs/dbraw/zinc/05/52/00/1068055200.db2.gz CWIORRGLRAVYLZ-KRWDZBQOSA-N 1 1 475.435 3.298 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001305013963 1068055220 /nfs/dbraw/zinc/05/52/20/1068055220.db2.gz OKBHLGMGDQHNET-VQTJNVASSA-N 1 1 486.665 3.294 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)C1 ZINC001305014335 1068055632 /nfs/dbraw/zinc/05/56/32/1068055632.db2.gz RLVFSYDRNIJXBF-QUCCMNQESA-N 1 1 465.689 3.066 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)C1 ZINC001305015487 1068058405 /nfs/dbraw/zinc/05/84/05/1068058405.db2.gz XDFBNTSHYNPXIW-WOJBJXKFSA-N 1 1 469.634 3.177 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001303530515 1068059061 /nfs/dbraw/zinc/05/90/61/1068059061.db2.gz FIAGTKJTRKXWNK-PKOBYXMFSA-N 1 1 482.000 3.089 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001303530515 1068059075 /nfs/dbraw/zinc/05/90/75/1068059075.db2.gz FIAGTKJTRKXWNK-PKOBYXMFSA-N 1 1 482.000 3.089 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305015978 1068059486 /nfs/dbraw/zinc/05/94/86/1068059486.db2.gz KNLFDSMCNHCJNC-LEWJYISDSA-N 1 1 460.667 3.131 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCO1 ZINC001303530995 1068059887 /nfs/dbraw/zinc/05/98/87/1068059887.db2.gz JETIPDWITKKCSD-BJKOFHAPSA-N 1 1 485.673 3.211 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001305016887 1068060436 /nfs/dbraw/zinc/06/04/36/1068060436.db2.gz JXKANNFCYRRLBK-HSZRJFAPSA-N 1 1 487.737 3.266 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001305017249 1068060887 /nfs/dbraw/zinc/06/08/87/1068060887.db2.gz CORFMQGEEKSYPI-FYYLOGMGSA-N 1 1 494.750 3.383 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305017344 1068060987 /nfs/dbraw/zinc/06/09/87/1068060987.db2.gz LASRBIXDMDLOOJ-LSDHHAIUSA-N 1 1 466.428 3.000 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC001303531959 1068061231 /nfs/dbraw/zinc/06/12/31/1068061231.db2.gz UVPIBOZXKZWJCP-RPWUZVMVSA-N 1 1 485.673 3.497 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001305018203 1068063235 /nfs/dbraw/zinc/06/32/35/1068063235.db2.gz HLFXLDSNFNLKGM-FCHUYYIVSA-N 1 1 476.710 3.230 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001305018553 1068063598 /nfs/dbraw/zinc/06/35/98/1068063598.db2.gz OCBHBEHCROJZCT-YDZRNGNQSA-N 1 1 491.624 3.469 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001305018578 1068063714 /nfs/dbraw/zinc/06/37/14/1068063714.db2.gz HYJRJPWKXBLNCU-QRVBRYPASA-N 1 1 460.648 3.148 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001305018532 1068063938 /nfs/dbraw/zinc/06/39/38/1068063938.db2.gz NUTSETKZAYFJJD-WOJBJXKFSA-N 1 1 456.610 3.330 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(N3CCN(C(=O)c4ccccn4)CC3)nnc2C(C)(C)C)C1 ZINC001305019502 1068065365 /nfs/dbraw/zinc/06/53/65/1068065365.db2.gz MVPMWVQZGFBUSS-FQEVSTJZSA-N 1 1 467.662 3.444 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001305019729 1068066265 /nfs/dbraw/zinc/06/62/65/1068066265.db2.gz RPNMLWZRLMEPBV-KRWDZBQOSA-N 1 1 496.475 3.207 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305019898 1068066627 /nfs/dbraw/zinc/06/66/27/1068066627.db2.gz OBDGFIHWHSYGHW-PKOBYXMFSA-N 1 1 465.689 3.064 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCCc2ccccn2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305020173 1068067386 /nfs/dbraw/zinc/06/73/86/1068067386.db2.gz ATJNDNQQWWVLDF-HXUWFJFHSA-N 1 1 455.651 3.391 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305020108 1068067563 /nfs/dbraw/zinc/06/75/63/1068067563.db2.gz SUAPXSSBEGTQDV-UQBPGWFLSA-N 1 1 456.610 3.364 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305020313 1068068053 /nfs/dbraw/zinc/06/80/53/1068068053.db2.gz UYGFKUOQQJQLIQ-AZUAARDMSA-N 1 1 465.689 3.208 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305020344 1068068173 /nfs/dbraw/zinc/06/81/73/1068068173.db2.gz BYCYXMBGUNPPAX-PMACEKPBSA-N 1 1 478.645 3.341 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001305020658 1068069271 /nfs/dbraw/zinc/06/92/71/1068069271.db2.gz CYLGJPKBSWRFKC-RDJZCZTQSA-N 1 1 454.541 3.439 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001305021552 1068070946 /nfs/dbraw/zinc/07/09/46/1068070946.db2.gz TXPOOWNUTGYKHS-QFIPXVFZSA-N 1 1 481.689 3.469 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1 ZINC001305021742 1068071143 /nfs/dbraw/zinc/07/11/43/1068071143.db2.gz ZOHPGBAJIRCIHP-RBBKRZOGSA-N 1 1 459.660 3.471 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1 ZINC001305021754 1068071343 /nfs/dbraw/zinc/07/13/43/1068071343.db2.gz ZRJGCLVHLSIABX-UXHICEINSA-N 1 1 454.610 3.214 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1 ZINC001305021740 1068071733 /nfs/dbraw/zinc/07/17/33/1068071733.db2.gz ZOHPGBAJIRCIHP-IRLDBZIGSA-N 1 1 459.660 3.471 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1 ZINC001305021758 1068072439 /nfs/dbraw/zinc/07/24/39/1068072439.db2.gz ZRJGCLVHLSIABX-WOJBJXKFSA-N 1 1 454.610 3.214 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001305022307 1068072623 /nfs/dbraw/zinc/07/26/23/1068072623.db2.gz KVVQXFSPRTXDPY-DOTOQJQBSA-N 1 1 496.582 3.128 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCCO)CC2)C1 ZINC001305022532 1068073492 /nfs/dbraw/zinc/07/34/92/1068073492.db2.gz LRNPJFLEVDKKHR-FQEVSTJZSA-N 1 1 483.661 3.425 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001305022986 1068074753 /nfs/dbraw/zinc/07/47/53/1068074753.db2.gz OQIUBIXEKLCHHJ-QGZVFWFLSA-N 1 1 483.082 3.375 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305022893 1068074827 /nfs/dbraw/zinc/07/48/27/1068074827.db2.gz DPNBEGKKSJABBW-DLBZAZTESA-N 1 1 494.482 3.365 20 0 JGADMO CC(C)OCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303548879 1068075825 /nfs/dbraw/zinc/07/58/25/1068075825.db2.gz IPVXFJBHRUECCI-UHFFFAOYSA-N 1 1 491.706 3.364 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023226 1068075882 /nfs/dbraw/zinc/07/58/82/1068075882.db2.gz BATUDDPAXTZHTA-XRXFAXGQSA-N 1 1 460.667 3.034 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023423 1068076536 /nfs/dbraw/zinc/07/65/36/1068076536.db2.gz HMCJUPQTZCKABN-WTGUMLROSA-N 1 1 472.609 3.379 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3[C@@H]2C)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023437 1068076780 /nfs/dbraw/zinc/07/67/80/1068076780.db2.gz HNZIYJHRNDQDBW-WTGUMLROSA-N 1 1 474.675 3.132 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001305023721 1068077113 /nfs/dbraw/zinc/07/71/13/1068077113.db2.gz UPXNCKHIUCOPLO-QGZVFWFLSA-N 1 1 475.592 3.287 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001305023703 1068077574 /nfs/dbraw/zinc/07/75/74/1068077574.db2.gz UPXNCKHIUCOPLO-KRWDZBQOSA-N 1 1 475.592 3.287 20 0 JGADMO CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305024250 1068077874 /nfs/dbraw/zinc/07/78/74/1068077874.db2.gz XIXLTILVZHRKMY-LJQANCHMSA-N 1 1 483.661 3.454 20 0 JGADMO CC(C)OCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303552549 1068078313 /nfs/dbraw/zinc/07/83/13/1068078313.db2.gz UOWHKZZKSJXBBJ-JOCHJYFZSA-N 1 1 489.064 3.080 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CC(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025720 1068080666 /nfs/dbraw/zinc/08/06/66/1068080666.db2.gz TXNLPDUWBMSJGY-KURKYZTESA-N 1 1 460.026 3.206 20 0 JGADMO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025592 1068081144 /nfs/dbraw/zinc/08/11/44/1068081144.db2.gz NLEXAQWABWMNHJ-WSTZPKSXSA-N 1 1 462.639 3.306 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(OC3CCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026660 1068083223 /nfs/dbraw/zinc/08/32/23/1068083223.db2.gz XGVYEHCQIPDFRY-UXHICEINSA-N 1 1 460.667 3.465 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305027010 1068083909 /nfs/dbraw/zinc/08/39/09/1068083909.db2.gz YYORBEARICPQRP-ZWKOTPCHSA-N 1 1 459.664 3.377 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305027009 1068084007 /nfs/dbraw/zinc/08/40/07/1068084007.db2.gz YYORBEARICPQRP-ROUUACIJSA-N 1 1 459.664 3.377 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305027990 1068084627 /nfs/dbraw/zinc/08/46/27/1068084627.db2.gz BWFJNOHXBHMMDD-IPVFLDMMSA-N 1 1 493.693 3.274 20 0 JGADMO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028646 1068085650 /nfs/dbraw/zinc/08/56/50/1068085650.db2.gz IFJSRCSAYZUPEH-MQSCRBSSSA-N 1 1 489.686 3.033 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2N2CCOCC2)CC1 ZINC001303566471 1068088716 /nfs/dbraw/zinc/08/87/16/1068088716.db2.gz CZGCZYRENQRBBQ-UHFFFAOYSA-N 1 1 470.662 3.008 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCOC2)CC1 ZINC001303566749 1068089314 /nfs/dbraw/zinc/08/93/14/1068089314.db2.gz JWINWRYAJOWDFP-PMACEKPBSA-N 1 1 461.582 3.141 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)CC1 ZINC001303566770 1068089676 /nfs/dbraw/zinc/08/96/76/1068089676.db2.gz KJKNAYGTYNQUMM-UHFFFAOYSA-N 1 1 479.094 3.194 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2Cn2cccn2)CC1 ZINC001303566961 1068090038 /nfs/dbraw/zinc/09/00/38/1068090038.db2.gz NGNPIFQDNAEISA-UHFFFAOYSA-N 1 1 465.646 3.416 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3ccccn3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001303569935 1068093292 /nfs/dbraw/zinc/09/32/92/1068093292.db2.gz KYFSSTGCLXMHBR-UHFFFAOYSA-N 1 1 455.651 3.152 20 0 JGADMO C[C@@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001305037156 1068093439 /nfs/dbraw/zinc/09/34/39/1068093439.db2.gz AWJJGCDANICGOI-NHCUHLMSSA-N 1 1 474.650 3.475 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ncccc2Cl)CC1 ZINC001303570828 1068094884 /nfs/dbraw/zinc/09/48/84/1068094884.db2.gz GJWWTYIKNYKDCO-FQEVSTJZSA-N 1 1 479.025 3.194 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)Nc2ccccc2)CC1 ZINC001303570767 1068095000 /nfs/dbraw/zinc/09/50/00/1068095000.db2.gz FDJXUVVPPVKYKA-JOCHJYFZSA-N 1 1 470.618 3.096 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001305041054 1068095506 /nfs/dbraw/zinc/09/55/06/1068095506.db2.gz AYBCIWHKTTTXAI-PMACEKPBSA-N 1 1 472.609 3.175 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001305041055 1068095930 /nfs/dbraw/zinc/09/59/30/1068095930.db2.gz AYBCIWHKTTTXAI-UXHICEINSA-N 1 1 472.609 3.175 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001303571450 1068096544 /nfs/dbraw/zinc/09/65/44/1068096544.db2.gz KWCBMSHVXUSLLK-SFTDATJTSA-N 1 1 475.609 3.326 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001303572194 1068096863 /nfs/dbraw/zinc/09/68/63/1068096863.db2.gz YOXYRKXKKVLYSU-UXHICEINSA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042020 1068096992 /nfs/dbraw/zinc/09/69/92/1068096992.db2.gz HEEKFOFFRRNASK-RZUBCFFCSA-N 1 1 454.619 3.115 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042008 1068097075 /nfs/dbraw/zinc/09/70/75/1068097075.db2.gz HCFAJAASTQLQBR-LMMKCTJWSA-N 1 1 466.677 3.023 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042009 1068097138 /nfs/dbraw/zinc/09/71/38/1068097138.db2.gz HCFAJAASTQLQBR-ZHALLVOQSA-N 1 1 466.677 3.023 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305042053 1068097656 /nfs/dbraw/zinc/09/76/56/1068097656.db2.gz HQEHPTQCAKOQOR-DENIHFKCSA-N 1 1 493.649 3.132 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001303572406 1068097993 /nfs/dbraw/zinc/09/79/93/1068097993.db2.gz GPMVHTJZNLJNGA-CGXNFDGLSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305042844 1068098831 /nfs/dbraw/zinc/09/88/31/1068098831.db2.gz LLXHSOUSLABSOJ-FPOVZHCZSA-N 1 1 484.620 3.387 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001305042750 1068098867 /nfs/dbraw/zinc/09/88/67/1068098867.db2.gz KTSHMHHLUCECJI-OALUTQOASA-N 1 1 457.648 3.379 20 0 JGADMO CC(C)SCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303573988 1068099787 /nfs/dbraw/zinc/09/97/87/1068099787.db2.gz JLXMHLPOPDGNOK-FQEVSTJZSA-N 1 1 483.480 3.478 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccn2)C1 ZINC001305043603 1068100355 /nfs/dbraw/zinc/10/03/55/1068100355.db2.gz SRPCGAHGKAJKQE-HXUWFJFHSA-N 1 1 462.602 3.469 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001305044150 1068100763 /nfs/dbraw/zinc/10/07/63/1068100763.db2.gz WWNYKXRMYBPTGA-ADYITMSISA-N 1 1 474.694 3.376 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044260 1068100767 /nfs/dbraw/zinc/10/07/67/1068100767.db2.gz YRKSHPUXYGAPEL-OKZYMOFSSA-N 1 1 474.675 3.083 20 0 JGADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305044283 1068100783 /nfs/dbraw/zinc/10/07/83/1068100783.db2.gz YZUPCWAZMBISRY-VQTJNVASSA-N 1 1 472.609 3.175 20 0 JGADMO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305044841 1068101974 /nfs/dbraw/zinc/10/19/74/1068101974.db2.gz BCAMPYZEOPGUSV-PZJWPPBQSA-N 1 1 477.650 3.466 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C1 ZINC001305044806 1068101990 /nfs/dbraw/zinc/10/19/90/1068101990.db2.gz AKMALFNXKTZTFY-ZIFCJYIRSA-N 1 1 452.525 3.152 20 0 JGADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044827 1068102066 /nfs/dbraw/zinc/10/20/66/1068102066.db2.gz AVQVSBTTYOUHQJ-MOPGFXCFSA-N 1 1 476.691 3.443 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305045108 1068102385 /nfs/dbraw/zinc/10/23/85/1068102385.db2.gz CKNLKHNRTOEHJI-RBBKRZOGSA-N 1 1 483.661 3.489 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(CCOc3ccccc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305046985 1068105459 /nfs/dbraw/zinc/10/54/59/1068105459.db2.gz DKQKHAAPLPKMLV-GMAHTHKFSA-N 1 1 489.686 3.035 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCc3nn(C)c(=O)cc3C2)C1 ZINC001305047532 1068105916 /nfs/dbraw/zinc/10/59/16/1068105916.db2.gz LARDBODZSMKOCW-LJQANCHMSA-N 1 1 455.651 3.035 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001305047651 1068106679 /nfs/dbraw/zinc/10/66/79/1068106679.db2.gz LWAAUTDJVZPSAY-PMACEKPBSA-N 1 1 472.600 3.369 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001305048315 1068107075 /nfs/dbraw/zinc/10/70/75/1068107075.db2.gz MGYUQDULRKWSCY-GOSISDBHSA-N 1 1 474.600 3.361 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001305048025 1068107214 /nfs/dbraw/zinc/10/72/14/1068107214.db2.gz IGHBTFFHTGUNHA-MXEMCNAFSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccsc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305048152 1068107241 /nfs/dbraw/zinc/10/72/41/1068107241.db2.gz OHGIMOGUDWSJAY-NJYVYQBISA-N 1 1 460.692 3.208 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001305049474 1068109046 /nfs/dbraw/zinc/10/90/46/1068109046.db2.gz IPZGKFXZGBFQIL-HXUWFJFHSA-N 1 1 478.645 3.214 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001305049621 1068110007 /nfs/dbraw/zinc/11/00/07/1068110007.db2.gz OQGMWUQRCYRSAK-FQEVSTJZSA-N 1 1 489.686 3.121 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001305050056 1068111368 /nfs/dbraw/zinc/11/13/68/1068111368.db2.gz QXFNQKVAZUYAFF-HXUWFJFHSA-N 1 1 489.064 3.406 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305050511 1068112605 /nfs/dbraw/zinc/11/26/05/1068112605.db2.gz SOGVSLSATIKZRW-UXHICEINSA-N 1 1 472.609 3.396 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001305050526 1068112622 /nfs/dbraw/zinc/11/26/22/1068112622.db2.gz SWERJCYHMYLLQY-CEXWTWQISA-N 1 1 486.583 3.289 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(CCOc3ccccc3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001305050464 1068112672 /nfs/dbraw/zinc/11/26/72/1068112672.db2.gz VHDKRWMLZOTKML-NRFANRHFSA-N 1 1 471.646 3.467 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001305051088 1068113664 /nfs/dbraw/zinc/11/36/64/1068113664.db2.gz ZBLAZMVJERZFMY-KRWDZBQOSA-N 1 1 468.543 3.266 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305051105 1068113696 /nfs/dbraw/zinc/11/36/96/1068113696.db2.gz OFGMXZNURJPSEL-SFTDATJTSA-N 1 1 453.635 3.061 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305051089 1068113779 /nfs/dbraw/zinc/11/37/79/1068113779.db2.gz UPGXOUDBRUUZIR-MOPGFXCFSA-N 1 1 458.582 3.006 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)CC2)C1 ZINC001305051140 1068113830 /nfs/dbraw/zinc/11/38/30/1068113830.db2.gz UYHBWQNIPGZNKL-OAQYLSRUSA-N 1 1 456.683 3.439 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305051277 1068114126 /nfs/dbraw/zinc/11/41/26/1068114126.db2.gz YLESJHIPCZYXFE-UGTOYMOASA-N 1 1 451.681 3.381 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001305051172 1068114217 /nfs/dbraw/zinc/11/42/17/1068114217.db2.gz ZJTDSVBNYBJJEA-RBBKRZOGSA-N 1 1 499.660 3.350 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001305051612 1068114966 /nfs/dbraw/zinc/11/49/66/1068114966.db2.gz XDAHAIMNOIXDJI-FPOVZHCZSA-N 1 1 477.650 3.468 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305052067 1068115524 /nfs/dbraw/zinc/11/55/24/1068115524.db2.gz YGXYWJLZVLGQDV-NJYVYQBISA-N 1 1 467.680 3.045 20 0 JGADMO C[C@@H]1CN(CCN(C)c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305052141 1068116262 /nfs/dbraw/zinc/11/62/62/1068116262.db2.gz YVOKNRKLCRQYGO-RJGXRXQPSA-N 1 1 471.694 3.341 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccccc3Br)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001305052567 1068116844 /nfs/dbraw/zinc/11/68/44/1068116844.db2.gz UXNZTCGHSMIVJE-SJORKVTESA-N 1 1 475.435 3.106 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CC1 ZINC001303595859 1068118395 /nfs/dbraw/zinc/11/83/95/1068118395.db2.gz IORXWVLVEALLMI-OALUTQOASA-N 1 1 482.654 3.348 20 0 JGADMO C[C@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001305055432 1068118702 /nfs/dbraw/zinc/11/87/02/1068118702.db2.gz FTHACODYKFMZIG-VQTJNVASSA-N 1 1 464.655 3.398 20 0 JGADMO C[C@@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305057729 1068119950 /nfs/dbraw/zinc/11/99/50/1068119950.db2.gz FIZOXXMCZWGWQE-MOPGFXCFSA-N 1 1 462.639 3.450 20 0 JGADMO C[C@@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305057729 1068119956 /nfs/dbraw/zinc/11/99/56/1068119956.db2.gz FIZOXXMCZWGWQE-MOPGFXCFSA-N 1 1 462.639 3.450 20 0 JGADMO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305058206 1068120256 /nfs/dbraw/zinc/12/02/56/1068120256.db2.gz FXUATVWSFQSQNA-SFTDATJTSA-N 1 1 461.614 3.480 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncnn1CC(F)F ZINC001305058086 1068120337 /nfs/dbraw/zinc/12/03/37/1068120337.db2.gz DRYDHNYESZIJTB-OAHLLOKOSA-N 1 1 480.514 3.124 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001305058376 1068121100 /nfs/dbraw/zinc/12/11/00/1068121100.db2.gz HCNXNHODBPNVAR-OAQYLSRUSA-N 1 1 472.653 3.287 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(N)=O)CC1 ZINC001305058534 1068121175 /nfs/dbraw/zinc/12/11/75/1068121175.db2.gz HQXFJZLRTBZJDN-CQSZACIVSA-N 1 1 451.402 3.438 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001305059408 1068123038 /nfs/dbraw/zinc/12/30/38/1068123038.db2.gz MFWOQNNHVLMDJX-QGZVFWFLSA-N 1 1 475.435 3.397 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305060313 1068125223 /nfs/dbraw/zinc/12/52/23/1068125223.db2.gz VSYWVJINMTUKIH-RBUKOAKNSA-N 1 1 462.639 3.102 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060525 1068125340 /nfs/dbraw/zinc/12/53/40/1068125340.db2.gz QEILZJPLNDVJMR-RBUKOAKNSA-N 1 1 457.623 3.451 20 0 JGADMO C[C@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001305061014 1068126420 /nfs/dbraw/zinc/12/64/20/1068126420.db2.gz XLMRGPGZOFAHHV-GMAHTHKFSA-N 1 1 454.663 3.207 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001305061014 1068126423 /nfs/dbraw/zinc/12/64/23/1068126423.db2.gz XLMRGPGZOFAHHV-GMAHTHKFSA-N 1 1 454.663 3.207 20 0 JGADMO C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305061186 1068126444 /nfs/dbraw/zinc/12/64/44/1068126444.db2.gz TXSVPBAAOKPLEI-OALUTQOASA-N 1 1 486.642 3.470 20 0 JGADMO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCCOC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001303600909 1068129095 /nfs/dbraw/zinc/12/90/95/1068129095.db2.gz BUWUHCFWZZTHRF-HJNYFJLDSA-N 1 1 457.619 3.312 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001305062552 1068129917 /nfs/dbraw/zinc/12/99/17/1068129917.db2.gz ZONSNNJXCDCHQL-OAHLLOKOSA-N 1 1 457.932 3.162 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303602546 1068132676 /nfs/dbraw/zinc/13/26/76/1068132676.db2.gz OKZDHUQOXIKJJG-OERIIGSMSA-N 1 1 475.659 3.175 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303602546 1068132681 /nfs/dbraw/zinc/13/26/81/1068132681.db2.gz OKZDHUQOXIKJJG-OERIIGSMSA-N 1 1 475.659 3.175 20 0 JGADMO C[C@@H](c1ccccc1)N(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303611284 1068145764 /nfs/dbraw/zinc/14/57/64/1068145764.db2.gz RONKATVMHMPJIG-FQEVSTJZSA-N 1 1 450.635 3.150 20 0 JGADMO C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305072520 1068146186 /nfs/dbraw/zinc/14/61/86/1068146186.db2.gz RXCKYCZTMVZGFH-HRCADAONSA-N 1 1 451.413 3.381 20 0 JGADMO CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001303614536 1068148698 /nfs/dbraw/zinc/14/86/98/1068148698.db2.gz PSZHARBSXIZXAH-IRXDYDNUSA-N 1 1 453.484 3.413 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001305081502 1068154177 /nfs/dbraw/zinc/15/41/77/1068154177.db2.gz DDRUUGXYSQXZCE-MOPGFXCFSA-N 1 1 451.619 3.405 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001305083683 1068155300 /nfs/dbraw/zinc/15/53/00/1068155300.db2.gz RCVYDSXXPXFSQK-LJQANCHMSA-N 1 1 488.562 3.330 20 0 JGADMO C[C@@H](c1ccco1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303625627 1068156104 /nfs/dbraw/zinc/15/61/04/1068156104.db2.gz ZLGBYANHXVOBJC-KRWDZBQOSA-N 1 1 472.615 3.171 20 0 JGADMO C[C@@H](c1ccco1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOCC1(C)C ZINC001303625627 1068156111 /nfs/dbraw/zinc/15/61/11/1068156111.db2.gz ZLGBYANHXVOBJC-KRWDZBQOSA-N 1 1 472.615 3.171 20 0 JGADMO CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001305086611 1068156548 /nfs/dbraw/zinc/15/65/48/1068156548.db2.gz IWXZITZEGYZBQU-FCHUYYIVSA-N 1 1 490.693 3.476 20 0 JGADMO C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCn2cc(CO)nn2)CC[N@H+]1Cc1ccccc1 ZINC001305093880 1068161247 /nfs/dbraw/zinc/16/12/47/1068161247.db2.gz XTYQJJXDDPKGJZ-NRFANRHFSA-N 1 1 480.661 3.142 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001303630296 1068161493 /nfs/dbraw/zinc/16/14/93/1068161493.db2.gz QXHXJWRNGMAEGD-RBUKOAKNSA-N 1 1 494.731 3.093 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001303630298 1068161509 /nfs/dbraw/zinc/16/15/09/1068161509.db2.gz QXHXJWRNGMAEGD-RTBURBONSA-N 1 1 494.731 3.093 20 0 JGADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001305111288 1068182909 /nfs/dbraw/zinc/18/29/09/1068182909.db2.gz AWJGMIGRTHRBKB-QGFMHUBQSA-N 1 1 474.675 3.250 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001303652852 1068183336 /nfs/dbraw/zinc/18/33/36/1068183336.db2.gz KZWLHFVFTKVMAH-GJZGRUSLSA-N 1 1 492.411 3.323 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)CC2COC(C)(C)OC2)C[C@H](C)O1 ZINC001305111743 1068184146 /nfs/dbraw/zinc/18/41/46/1068184146.db2.gz BSONAFWLZMRUMA-KDURUIRLSA-N 1 1 474.650 3.007 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N2CCC(O)(C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305111995 1068184872 /nfs/dbraw/zinc/18/48/72/1068184872.db2.gz IOUITLOYAQCWCT-HDICACEKSA-N 1 1 496.578 3.045 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001303654181 1068185074 /nfs/dbraw/zinc/18/50/74/1068185074.db2.gz UBEYJCDUILYSKN-NQIIRXRSSA-N 1 1 472.609 3.493 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)C2)C[C@H](C)O1 ZINC001305112631 1068187289 /nfs/dbraw/zinc/18/72/89/1068187289.db2.gz NPCKAORKTLTDBN-IYBDPMFKSA-N 1 1 482.601 3.003 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001305112651 1068187474 /nfs/dbraw/zinc/18/74/74/1068187474.db2.gz NWODZKGJYWVKHF-HBMCJLEFSA-N 1 1 474.694 3.346 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001305113262 1068189224 /nfs/dbraw/zinc/18/92/24/1068189224.db2.gz SKCQDSAPRDQWEX-BHIFYINESA-N 1 1 476.710 3.371 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001305113262 1068189233 /nfs/dbraw/zinc/18/92/33/1068189233.db2.gz SKCQDSAPRDQWEX-BHIFYINESA-N 1 1 476.710 3.371 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001305113148 1068189534 /nfs/dbraw/zinc/18/95/34/1068189534.db2.gz MIVGZLQEOFPYDE-SVFBPWRDSA-N 1 1 482.673 3.442 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001305113354 1068190129 /nfs/dbraw/zinc/19/01/29/1068190129.db2.gz NWHVBOQTZJSSHA-WCXIOVBPSA-N 1 1 467.540 3.258 20 0 JGADMO C[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303664481 1068197338 /nfs/dbraw/zinc/19/73/38/1068197338.db2.gz LEYLKRKZWHELLI-GOSISDBHSA-N 1 1 491.562 3.483 20 0 JGADMO C[C@@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303666026 1068199425 /nfs/dbraw/zinc/19/94/25/1068199425.db2.gz WELSZPYATWIAIM-UNMCSNQZSA-N 1 1 497.669 3.049 20 0 JGADMO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC001303669015 1068203325 /nfs/dbraw/zinc/20/33/25/1068203325.db2.gz RQJPJIPEIXQWDN-FPOVZHCZSA-N 1 1 454.619 3.418 20 0 JGADMO C[C@@H](CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001303672581 1068208551 /nfs/dbraw/zinc/20/85/51/1068208551.db2.gz CCWBBOQQOAJCQX-PMACEKPBSA-N 1 1 476.691 3.250 20 0 JGADMO Cc1cc(C=O)c([O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001303678185 1068216113 /nfs/dbraw/zinc/21/61/13/1068216113.db2.gz MXDGXTUWEQMTAG-BGYRXZFFSA-N 1 1 457.571 3.201 20 0 JGADMO Cc1cc(C=O)c(O)c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001303678185 1068216140 /nfs/dbraw/zinc/21/61/40/1068216140.db2.gz MXDGXTUWEQMTAG-BGYRXZFFSA-N 1 1 457.571 3.201 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001305133297 1068219326 /nfs/dbraw/zinc/21/93/26/1068219326.db2.gz MANZQGFJECJXFD-IAGOWNOFSA-N 1 1 488.649 3.024 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC001305135549 1068223489 /nfs/dbraw/zinc/22/34/89/1068223489.db2.gz HKWAANCJIQJEQM-KRWDZBQOSA-N 1 1 478.435 3.434 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001305137320 1068228291 /nfs/dbraw/zinc/22/82/91/1068228291.db2.gz LTGHQEQFWLHKFJ-IECBHUPTSA-N 1 1 461.582 3.282 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303691160 1068230875 /nfs/dbraw/zinc/23/08/75/1068230875.db2.gz BLDPBAUWSUYEJX-CVEARBPZSA-N 1 1 488.434 3.256 20 0 JGADMO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001303694509 1068237287 /nfs/dbraw/zinc/23/72/87/1068237287.db2.gz FEFCEFBRAVCLDW-SJLPKXTDSA-N 1 1 496.628 3.160 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC[N@H+]2CCCO)CCCO1 ZINC001305142091 1068238570 /nfs/dbraw/zinc/23/85/70/1068238570.db2.gz GXJLGXQEHDLZIB-HOTGVXAUSA-N 1 1 484.464 3.231 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[N@H+]2CCCO)CCCO1 ZINC001305142093 1068239084 /nfs/dbraw/zinc/23/90/84/1068239084.db2.gz GXJLGXQEHDLZIB-JKSUJKDBSA-N 1 1 484.464 3.231 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC(C)(C)O1 ZINC001305142670 1068240104 /nfs/dbraw/zinc/24/01/04/1068240104.db2.gz GRAWWGOFZSWNDT-LJQANCHMSA-N 1 1 489.686 3.474 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001303699625 1068242592 /nfs/dbraw/zinc/24/25/92/1068242592.db2.gz KNNXAKLVIGVFKY-WOJBJXKFSA-N 1 1 470.618 3.111 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001305145229 1068246092 /nfs/dbraw/zinc/24/60/92/1068246092.db2.gz FLCHWAHJLLGUBO-PNCHPQGNSA-N 1 1 463.026 3.497 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC001305145814 1068246984 /nfs/dbraw/zinc/24/69/84/1068246984.db2.gz JFOVLLYTARXENR-CBGDNZLLSA-N 1 1 493.027 3.294 20 0 JGADMO C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303702886 1068247046 /nfs/dbraw/zinc/24/70/46/1068247046.db2.gz GKURIAQUGRMBFB-YLJYHZDGSA-N 1 1 455.607 3.268 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC(C)(C)O1 ZINC001305148596 1068252094 /nfs/dbraw/zinc/25/20/94/1068252094.db2.gz ZDDZHQTUCDOZFY-JKSUJKDBSA-N 1 1 451.974 3.462 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC(C)(C)O1 ZINC001305148596 1068252098 /nfs/dbraw/zinc/25/20/98/1068252098.db2.gz ZDDZHQTUCDOZFY-JKSUJKDBSA-N 1 1 451.974 3.462 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303708927 1068254457 /nfs/dbraw/zinc/25/44/57/1068254457.db2.gz SEGRBVWJQIWHEG-OALUTQOASA-N 1 1 490.578 3.272 20 0 JGADMO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303708402 1068254477 /nfs/dbraw/zinc/25/44/77/1068254477.db2.gz PHOCBZSEQPLMQP-PZJWPPBQSA-N 1 1 492.628 3.359 20 0 JGADMO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ncc(Cl)n1C)[N@@H+](C)Cc1ccccc1 ZINC001303709638 1068255643 /nfs/dbraw/zinc/25/56/43/1068255643.db2.gz XVMZBDJSHIARLP-QGZVFWFLSA-N 1 1 465.993 3.279 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC001305150745 1068256411 /nfs/dbraw/zinc/25/64/11/1068256411.db2.gz BCGLYBQEDYHEFQ-MAUKXSAKSA-N 1 1 473.927 3.477 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC001305150747 1068256420 /nfs/dbraw/zinc/25/64/20/1068256420.db2.gz BCGLYBQEDYHEFQ-QAPCUYQASA-N 1 1 473.927 3.477 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001303712024 1068257313 /nfs/dbraw/zinc/25/73/13/1068257313.db2.gz HPCABDZSQAXHDL-YLJYHZDGSA-N 1 1 461.010 3.271 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001303712021 1068257352 /nfs/dbraw/zinc/25/73/52/1068257352.db2.gz HPCABDZSQAXHDL-FXAWDEMLSA-N 1 1 461.010 3.271 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001305151441 1068257502 /nfs/dbraw/zinc/25/75/02/1068257502.db2.gz WZQIUQMVLJEDNX-REWPJTCUSA-N 1 1 482.673 3.146 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC001305154288 1068262996 /nfs/dbraw/zinc/26/29/96/1068262996.db2.gz MNYKPYLXFQOYOW-QGZVFWFLSA-N 1 1 478.435 3.434 20 0 JGADMO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCOC1)[N@@H+](C)C1CC1 ZINC001303715882 1068263268 /nfs/dbraw/zinc/26/32/68/1068263268.db2.gz FHBQEVROESXXAD-RTBURBONSA-N 1 1 476.666 3.348 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001305157098 1068265869 /nfs/dbraw/zinc/26/58/69/1068265869.db2.gz JQBNVRXIFKDVQY-CTNGQTDRSA-N 1 1 453.635 3.155 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001303721829 1068270951 /nfs/dbraw/zinc/27/09/51/1068270951.db2.gz IEPYOLJLCDYVQT-PZJWPPBQSA-N 1 1 459.660 3.295 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305163795 1068273132 /nfs/dbraw/zinc/27/31/32/1068273132.db2.gz IMHHPLAJGGCURR-MOPGFXCFSA-N 1 1 484.649 3.207 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCSCC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305164728 1068274724 /nfs/dbraw/zinc/27/47/24/1068274724.db2.gz JNWUOYJEEXRVRT-HNNXBMFYSA-N 1 1 455.554 3.341 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCN1CC(F)(F)F ZINC001305165777 1068276637 /nfs/dbraw/zinc/27/66/37/1068276637.db2.gz QZSNCHQRFZOOIF-QGZVFWFLSA-N 1 1 492.525 3.079 20 0 JGADMO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001303728911 1068284098 /nfs/dbraw/zinc/28/40/98/1068284098.db2.gz WOYCOQLHPRTFGF-OAHLLOKOSA-N 1 1 455.500 3.384 20 0 JGADMO C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001303735201 1068292410 /nfs/dbraw/zinc/29/24/10/1068292410.db2.gz WFCJRNIKQJSKNN-QDPGVEIFSA-N 1 1 497.732 3.234 20 0 JGADMO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC001303737748 1068296336 /nfs/dbraw/zinc/29/63/36/1068296336.db2.gz SFIUHZHBWADMFS-INIZCTEOSA-N 1 1 475.435 3.282 20 0 JGADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001303738305 1068297631 /nfs/dbraw/zinc/29/76/31/1068297631.db2.gz XDYKNHZWAVHAQH-LSDHHAIUSA-N 1 1 452.575 3.234 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)CCN1CC(F)(F)F ZINC001305182689 1068299539 /nfs/dbraw/zinc/29/95/39/1068299539.db2.gz LLBPAOWXRMFJEH-PZJWPPBQSA-N 1 1 480.579 3.377 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305184722 1068302629 /nfs/dbraw/zinc/30/26/29/1068302629.db2.gz QGNCQKIVQFKJIP-AQNXPRMDSA-N 1 1 478.682 3.063 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC001305184916 1068303231 /nfs/dbraw/zinc/30/32/31/1068303231.db2.gz JHDQVSZAPQDWMT-SFHLNBCPSA-N 1 1 492.665 3.075 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001305190030 1068310137 /nfs/dbraw/zinc/31/01/37/1068310137.db2.gz XWNHELONRIOFCV-QRVBRYPASA-N 1 1 463.573 3.262 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303752430 1068313259 /nfs/dbraw/zinc/31/32/59/1068313259.db2.gz RNMCDVQJKQBWRE-UPVQGACJSA-N 1 1 454.663 3.379 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303752428 1068313366 /nfs/dbraw/zinc/31/33/66/1068313366.db2.gz RNMCDVQJKQBWRE-ISKFKSNPSA-N 1 1 454.663 3.379 20 0 JGADMO CC(C)N1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001303752973 1068314395 /nfs/dbraw/zinc/31/43/95/1068314395.db2.gz VBURISGCFAGSIP-VSKRKVRLSA-N 1 1 489.709 3.311 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001305192271 1068315338 /nfs/dbraw/zinc/31/53/38/1068315338.db2.gz PEGIBFNPHKBFKH-AYOQOUSVSA-N 1 1 469.508 3.287 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001305195534 1068320663 /nfs/dbraw/zinc/32/06/63/1068320663.db2.gz GMNRRDKIAAKNLG-FQEVSTJZSA-N 1 1 483.661 3.441 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN(C)c1ccccc1)C[NH+]1CCOCC1 ZINC001303758569 1068321735 /nfs/dbraw/zinc/32/17/35/1068321735.db2.gz CUDBSDBCWWOJNS-GGAORHGYSA-N 1 1 456.635 3.061 20 0 JGADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303758781 1068322553 /nfs/dbraw/zinc/32/25/53/1068322553.db2.gz IDDDHXSMBVAPFD-GCJKJVERSA-N 1 1 477.600 3.367 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CCN1CC(F)(F)F ZINC001305197743 1068322483 /nfs/dbraw/zinc/32/24/83/1068322483.db2.gz OMFWYINKYMYQDJ-LJQANCHMSA-N 1 1 479.595 3.459 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC001303761046 1068328074 /nfs/dbraw/zinc/32/80/74/1068328074.db2.gz YXSHBGKXAXVNSM-NQIIRXRSSA-N 1 1 491.036 3.216 20 0 JGADMO C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001305204271 1068329086 /nfs/dbraw/zinc/32/90/86/1068329086.db2.gz OXPUZIXIZINZSN-FYYLOGMGSA-N 1 1 484.714 3.338 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)S1 ZINC001305205540 1068331434 /nfs/dbraw/zinc/33/14/34/1068331434.db2.gz DWNIXOJPBJIBFT-OYRHEFFESA-N 1 1 456.704 3.420 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305205540 1068331449 /nfs/dbraw/zinc/33/14/49/1068331449.db2.gz DWNIXOJPBJIBFT-OYRHEFFESA-N 1 1 456.704 3.420 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305205540 1068331463 /nfs/dbraw/zinc/33/14/63/1068331463.db2.gz DWNIXOJPBJIBFT-OYRHEFFESA-N 1 1 456.704 3.420 20 0 JGADMO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001305210718 1068339699 /nfs/dbraw/zinc/33/96/99/1068339699.db2.gz QGDKZTNAZZPYCU-MOPGFXCFSA-N 1 1 474.675 3.109 20 0 JGADMO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305210721 1068340098 /nfs/dbraw/zinc/34/00/98/1068340098.db2.gz QGDKZTNAZZPYCU-RTBURBONSA-N 1 1 474.675 3.109 20 0 JGADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@H](C(F)(F)F)O1 ZINC001305212910 1068344069 /nfs/dbraw/zinc/34/40/69/1068344069.db2.gz VJKLEVFNRMTWAL-GUDVDZBRSA-N 1 1 486.583 3.211 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1C(C)(C)C ZINC001303770545 1068344517 /nfs/dbraw/zinc/34/45/17/1068344517.db2.gz YWGYRFFMHWERLN-MOPGFXCFSA-N 1 1 478.682 3.426 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001305214243 1068347274 /nfs/dbraw/zinc/34/72/74/1068347274.db2.gz CGVNGTFZMSRFMK-RNHFSVANSA-N 1 1 475.609 3.499 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001305218137 1068355019 /nfs/dbraw/zinc/35/50/19/1068355019.db2.gz XEZLLVXIFYIYSO-MAUKXSAKSA-N 1 1 459.488 3.492 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305219638 1068357076 /nfs/dbraw/zinc/35/70/76/1068357076.db2.gz CCJGEJMZDMIPHE-RTWAWAEBSA-N 1 1 476.710 3.455 20 0 JGADMO C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2CCCO[C@H](C)C2)[C@@H]1C ZINC001305221348 1068360043 /nfs/dbraw/zinc/36/00/43/1068360043.db2.gz JHTXWUJQDMJCLU-GUDVDZBRSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305221667 1068361491 /nfs/dbraw/zinc/36/14/91/1068361491.db2.gz IJEBXZCXJUPRII-TZIWHRDSSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccncc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305222740 1068363302 /nfs/dbraw/zinc/36/33/02/1068363302.db2.gz MDLNRWKVTPFNLF-AZUAARDMSA-N 1 1 469.634 3.240 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCC(NC(=O)c4ccccc4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305224478 1068366697 /nfs/dbraw/zinc/36/66/97/1068366697.db2.gz XMPMENCRLVJWAT-OAQYLSRUSA-N 1 1 482.673 3.475 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305225064 1068368321 /nfs/dbraw/zinc/36/83/21/1068368321.db2.gz SVNOFZNDNYPRSH-QRVBRYPASA-N 1 1 462.639 3.496 20 0 JGADMO CC(F)(F)CCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001303787669 1068369118 /nfs/dbraw/zinc/36/91/18/1068369118.db2.gz BPZQXXDXOJRMMD-UHFFFAOYSA-N 1 1 464.536 3.297 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCOCCCO ZINC001305225518 1068369476 /nfs/dbraw/zinc/36/94/76/1068369476.db2.gz UZFXMFQCSVTBEO-AEFFLSMTSA-N 1 1 484.428 3.236 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001303788061 1068369728 /nfs/dbraw/zinc/36/97/28/1068369728.db2.gz JQTBPZVBMKCYPH-SFHVURJKSA-N 1 1 480.583 3.463 20 0 JGADMO C[C@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305229237 1068373984 /nfs/dbraw/zinc/37/39/84/1068373984.db2.gz QNBXLXGHYSFQSP-RBUKOAKNSA-N 1 1 474.675 3.253 20 0 JGADMO C[C@@H]1COCCN1CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305235022 1068385182 /nfs/dbraw/zinc/38/51/82/1068385182.db2.gz ZOMVGQLGUJUQFR-HXUWFJFHSA-N 1 1 491.080 3.114 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305239997 1068389581 /nfs/dbraw/zinc/38/95/81/1068389581.db2.gz XQGMJVDTWYLTND-MRXNPFEDSA-N 1 1 451.587 3.200 20 0 JGADMO CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC001303798383 1068390106 /nfs/dbraw/zinc/39/01/06/1068390106.db2.gz ANSBBSWFXNOYBP-PYMOVNHWSA-N 1 1 451.567 3.137 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(COc2ccccc2F)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305241077 1068391587 /nfs/dbraw/zinc/39/15/87/1068391587.db2.gz WLNDICRZZDNZMK-LJQANCHMSA-N 1 1 476.666 3.212 20 0 JGADMO C[C@H]1N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)CCOC1(C)C ZINC001305245326 1068398524 /nfs/dbraw/zinc/39/85/24/1068398524.db2.gz MKPJRTZSFYERKZ-VAMGGRTRSA-N 1 1 463.667 3.311 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CC[N@@H+](C)C1CCCC1 ZINC001303803074 1068401204 /nfs/dbraw/zinc/40/12/04/1068401204.db2.gz IJXQEUAVJXIFLM-HOTGVXAUSA-N 1 1 484.617 3.238 20 0 JGADMO C[C@H](c1ccccc1F)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303803766 1068403249 /nfs/dbraw/zinc/40/32/49/1068403249.db2.gz OXYXJPVUKZAGAE-QKLQHJQFSA-N 1 1 480.654 3.345 20 0 JGADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001303805496 1068408838 /nfs/dbraw/zinc/40/88/38/1068408838.db2.gz DMPWJOYRBNVULK-OALUTQOASA-N 1 1 474.675 3.104 20 0 JGADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001303805494 1068408882 /nfs/dbraw/zinc/40/88/82/1068408882.db2.gz DMPWJOYRBNVULK-MOPGFXCFSA-N 1 1 474.675 3.104 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CC1(C)C ZINC001303805609 1068409606 /nfs/dbraw/zinc/40/96/06/1068409606.db2.gz GCYXQZPHHAUILW-SESVDKBCSA-N 1 1 474.675 3.035 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303807620 1068413447 /nfs/dbraw/zinc/41/34/47/1068413447.db2.gz BCQMJAOYCCPSJG-WOJBJXKFSA-N 1 1 499.685 3.337 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303808218 1068414820 /nfs/dbraw/zinc/41/48/20/1068414820.db2.gz CQFRALBEUOYIGF-HOCLYGCPSA-N 1 1 496.012 3.091 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305254925 1068417278 /nfs/dbraw/zinc/41/72/78/1068417278.db2.gz MVFMVKNGUDLQAH-CVEARBPZSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305254925 1068417282 /nfs/dbraw/zinc/41/72/82/1068417282.db2.gz MVFMVKNGUDLQAH-CVEARBPZSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305254925 1068417287 /nfs/dbraw/zinc/41/72/87/1068417287.db2.gz MVFMVKNGUDLQAH-CVEARBPZSA-N 1 1 496.523 3.392 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001305256094 1068419339 /nfs/dbraw/zinc/41/93/39/1068419339.db2.gz PKQKGEPVXQGAQJ-XQBPLPMBSA-N 1 1 491.727 3.399 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303812488 1068423028 /nfs/dbraw/zinc/42/30/28/1068423028.db2.gz ZDUFGBVGXSYFMK-LPHOPBHVSA-N 1 1 483.082 3.299 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303816604 1068428921 /nfs/dbraw/zinc/42/89/21/1068428921.db2.gz VHJWQMPJIGWHPN-NQIIRXRSSA-N 1 1 488.683 3.251 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001305261976 1068432037 /nfs/dbraw/zinc/43/20/37/1068432037.db2.gz FUTUHAZZMXBINK-WOJBJXKFSA-N 1 1 488.080 3.120 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303818262 1068432205 /nfs/dbraw/zinc/43/22/05/1068432205.db2.gz ATBIIVAAMYLFPT-DYESRHJHSA-N 1 1 492.665 3.317 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305263407 1068437177 /nfs/dbraw/zinc/43/71/77/1068437177.db2.gz CQCSYDRNKMBLRI-GMAHTHKFSA-N 1 1 467.662 3.271 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001305264009 1068439766 /nfs/dbraw/zinc/43/97/66/1068439766.db2.gz HQOWYTMUJNLEKO-BHDDXSALSA-N 1 1 460.667 3.035 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001305264021 1068439780 /nfs/dbraw/zinc/43/97/80/1068439780.db2.gz HQOWYTMUJNLEKO-BHIFYINESA-N 1 1 460.667 3.035 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001305265300 1068444897 /nfs/dbraw/zinc/44/48/97/1068444897.db2.gz PDTXIZYYIJPDHR-FGZHOGPDSA-N 1 1 489.064 3.450 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001305265707 1068446775 /nfs/dbraw/zinc/44/67/75/1068446775.db2.gz IBEHIEQRNFNMFH-NHCUHLMSSA-N 1 1 454.619 3.002 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCCCN2CC[NH+](CC)CC2)C1 ZINC001305265804 1068447509 /nfs/dbraw/zinc/44/75/09/1068447509.db2.gz NELSUHUJMSMXQN-QHCPKHFHSA-N 1 1 481.689 3.166 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc[nH+]c2C)C1 ZINC001305266138 1068448764 /nfs/dbraw/zinc/44/87/64/1068448764.db2.gz NVKLFLFRVSHNMD-QGZVFWFLSA-N 1 1 459.957 3.438 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303828395 1068448878 /nfs/dbraw/zinc/44/88/78/1068448878.db2.gz VMSOPLFZLSDFLW-CEXWTWQISA-N 1 1 460.648 3.234 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1=CCCCC1 ZINC001303832173 1068457786 /nfs/dbraw/zinc/45/77/86/1068457786.db2.gz ULFNULYTDSJLPU-LEWJYISDSA-N 1 1 486.686 3.490 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001305269189 1068460805 /nfs/dbraw/zinc/46/08/05/1068460805.db2.gz TZHFELJGBXPKLK-ZEQRLZLVSA-N 1 1 482.673 3.359 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc[nH+]c2C)C1 ZINC001305271062 1068467783 /nfs/dbraw/zinc/46/77/83/1068467783.db2.gz YHPHHQSJICKNQI-SFHVURJKSA-N 1 1 456.982 3.084 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001305271804 1068469803 /nfs/dbraw/zinc/46/98/03/1068469803.db2.gz TVDQYGMOVHLFDC-CIAFKFPVSA-N 1 1 460.667 3.035 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303843347 1068473385 /nfs/dbraw/zinc/47/33/85/1068473385.db2.gz WIXTUQRVUUOLHG-RBUKOAKNSA-N 1 1 466.696 3.169 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001303845332 1068479355 /nfs/dbraw/zinc/47/93/55/1068479355.db2.gz MSRNBEOTDWTVCZ-IPJJNNNSSA-N 1 1 474.675 3.156 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001303845333 1068479362 /nfs/dbraw/zinc/47/93/62/1068479362.db2.gz MSRNBEOTDWTVCZ-JQVVWYNYSA-N 1 1 474.675 3.156 20 0 JGADMO CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305279361 1068482295 /nfs/dbraw/zinc/48/22/95/1068482295.db2.gz NIAJYURSQYNERA-PZJWPPBQSA-N 1 1 476.691 3.425 20 0 JGADMO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001305284958 1068486440 /nfs/dbraw/zinc/48/64/40/1068486440.db2.gz IYSOXTQMPCIXNR-HXUWFJFHSA-N 1 1 484.645 3.045 20 0 JGADMO CCC(C)(C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305290348 1068493170 /nfs/dbraw/zinc/49/31/70/1068493170.db2.gz SEKHAIUQEOKUEH-NBGIEHNGSA-N 1 1 463.667 3.444 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCc2ccccc21 ZINC001303856643 1068496966 /nfs/dbraw/zinc/49/69/66/1068496966.db2.gz ZCOPRJOBFVAANX-FPOVZHCZSA-N 1 1 488.702 3.319 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccc(F)c1 ZINC001303859885 1068500405 /nfs/dbraw/zinc/50/04/05/1068500405.db2.gz WRNJLQRVEBRETR-IAGOWNOFSA-N 1 1 492.646 3.020 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001303864842 1068502220 /nfs/dbraw/zinc/50/22/20/1068502220.db2.gz IMZRHFBUANBOSV-MJGOQNOKSA-N 1 1 480.704 3.098 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCC1=CCCCC1 ZINC001303865108 1068502373 /nfs/dbraw/zinc/50/23/73/1068502373.db2.gz MJWNUUVKTJEMMY-SFHVURJKSA-N 1 1 478.688 3.163 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303874884 1068509160 /nfs/dbraw/zinc/50/91/60/1068509160.db2.gz FKUAMYNCTBFOER-MOPGFXCFSA-N 1 1 498.763 3.265 20 0 JGADMO CC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305307341 1068515384 /nfs/dbraw/zinc/51/53/84/1068515384.db2.gz LKJPMUHGXGJOFR-UNVFRBQDSA-N 1 1 490.643 3.303 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303879846 1068516585 /nfs/dbraw/zinc/51/65/85/1068516585.db2.gz ZZXUARNOBWVZGZ-STZQEDGTSA-N 1 1 492.665 3.095 20 0 JGADMO C[C@](O)(C1CCN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1)C(F)(F)F ZINC001303881121 1068519405 /nfs/dbraw/zinc/51/94/05/1068519405.db2.gz VGFJMTNFSZXEDH-CVDCTZTESA-N 1 1 496.578 3.107 20 0 JGADMO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305318211 1068534280 /nfs/dbraw/zinc/53/42/80/1068534280.db2.gz XFYSUMMKHWXBIY-XHVFSLISSA-N 1 1 463.667 3.254 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC(C)(F)F ZINC001303897909 1068539439 /nfs/dbraw/zinc/53/94/39/1068539439.db2.gz MYODBODTSSLIJE-XLIONFOSSA-N 1 1 494.562 3.345 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001305321703 1068539544 /nfs/dbraw/zinc/53/95/44/1068539544.db2.gz ZQWVBBALXBIEEJ-DMJCMNNJSA-N 1 1 457.619 3.434 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001305321499 1068539780 /nfs/dbraw/zinc/53/97/80/1068539780.db2.gz GOUYAFNNDUFAAM-UNVFRBQDSA-N 1 1 466.630 3.447 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303898302 1068540044 /nfs/dbraw/zinc/54/00/44/1068540044.db2.gz NMGLQEIBWDWRED-PGRDOPGGSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303898304 1068540076 /nfs/dbraw/zinc/54/00/76/1068540076.db2.gz NMGLQEIBWDWRED-XMSQKQJNSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC(F)(F)F ZINC001303899585 1068542189 /nfs/dbraw/zinc/54/21/89/1068542189.db2.gz VZOINKANGRAQEC-QGZVFWFLSA-N 1 1 498.525 3.254 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC(F)(F)F ZINC001303899585 1068542198 /nfs/dbraw/zinc/54/21/98/1068542198.db2.gz VZOINKANGRAQEC-QGZVFWFLSA-N 1 1 498.525 3.254 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001303902135 1068545575 /nfs/dbraw/zinc/54/55/75/1068545575.db2.gz LZNLGFILOLIKGX-OFNKIYASSA-N 1 1 474.625 3.198 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305326472 1068548858 /nfs/dbraw/zinc/54/88/58/1068548858.db2.gz YOIRAPHVGAROKF-NIYFSFCBSA-N 1 1 487.645 3.060 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305326472 1068548865 /nfs/dbraw/zinc/54/88/65/1068548865.db2.gz YOIRAPHVGAROKF-NIYFSFCBSA-N 1 1 487.645 3.060 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303907166 1068553767 /nfs/dbraw/zinc/55/37/67/1068553767.db2.gz RJIZOYJFRPCCTJ-IUKKYPGJSA-N 1 1 464.010 3.001 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001305329515 1068554295 /nfs/dbraw/zinc/55/42/95/1068554295.db2.gz HGCJJJGSVFRBCW-AVRWGWEMSA-N 1 1 467.618 3.312 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305330596 1068556230 /nfs/dbraw/zinc/55/62/30/1068556230.db2.gz SFJVJIFZJFMUTO-ACRRGDEPSA-N 1 1 495.734 3.068 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001305332025 1068560354 /nfs/dbraw/zinc/56/03/54/1068560354.db2.gz XVRDNLLJHUZKKK-IQGLISFBSA-N 1 1 474.650 3.360 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305335025 1068565553 /nfs/dbraw/zinc/56/55/53/1068565553.db2.gz VCFZTMVFXVBTIA-AIBHGQCCSA-N 1 1 460.667 3.117 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305336901 1068569001 /nfs/dbraw/zinc/56/90/01/1068569001.db2.gz BZRLPMZGYMPUKU-OUDXUNEISA-N 1 1 489.636 3.483 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923074 1068575272 /nfs/dbraw/zinc/57/52/72/1068575272.db2.gz NXECPBMAILTNCD-MOPGFXCFSA-N 1 1 481.638 3.158 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001303922974 1068575322 /nfs/dbraw/zinc/57/53/22/1068575322.db2.gz BXOYYNKAEICJBB-IBGZPJMESA-N 1 1 487.624 3.282 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923076 1068575385 /nfs/dbraw/zinc/57/53/85/1068575385.db2.gz NXECPBMAILTNCD-RBUKOAKNSA-N 1 1 481.638 3.158 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(N2CC[NH+](CCOC)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001305341075 1068576496 /nfs/dbraw/zinc/57/64/96/1068576496.db2.gz NXIUIELUTHJRMK-PXDATVDWSA-N 1 1 455.647 3.314 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303923646 1068577631 /nfs/dbraw/zinc/57/76/31/1068577631.db2.gz HJELBIBQNWKIIT-AABGKKOBSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303923649 1068577729 /nfs/dbraw/zinc/57/77/29/1068577729.db2.gz HJELBIBQNWKIIT-UFYCRDLUSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC(N)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001303924027 1068578674 /nfs/dbraw/zinc/57/86/74/1068578674.db2.gz KVWYXRSUIMQWSY-QZTJIDSGSA-N 1 1 458.582 3.133 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001303925783 1068582548 /nfs/dbraw/zinc/58/25/48/1068582548.db2.gz FGWKXLYYVPTAJO-RTBURBONSA-N 1 1 493.649 3.303 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 ZINC001303926104 1068583409 /nfs/dbraw/zinc/58/34/09/1068583409.db2.gz IPMPDTNJEDQJEK-CVCYQNGTSA-N 1 1 463.623 3.389 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303931839 1068589770 /nfs/dbraw/zinc/58/97/70/1068589770.db2.gz KORWVBMTQNTDNS-WOJBJXKFSA-N 1 1 472.609 3.490 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)OC ZINC001305348303 1068590277 /nfs/dbraw/zinc/59/02/77/1068590277.db2.gz AFZPCUKDLUISGE-ZZTDLJEGSA-N 1 1 484.645 3.182 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001305351007 1068594931 /nfs/dbraw/zinc/59/49/31/1068594931.db2.gz SAFAEJJLJWRPLY-SZGVKKGVSA-N 1 1 486.661 3.287 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)OC ZINC001305358605 1068610247 /nfs/dbraw/zinc/61/02/47/1068610247.db2.gz DHJUNMLSVGGEHK-ZZTDLJEGSA-N 1 1 459.610 3.226 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001305379453 1068631726 /nfs/dbraw/zinc/63/17/26/1068631726.db2.gz XTMYXVYNUWIXJE-OAQYLSRUSA-N 1 1 464.662 3.288 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305381295 1068633124 /nfs/dbraw/zinc/63/31/24/1068633124.db2.gz CNLSENGPKVUIGA-QRVBRYPASA-N 1 1 456.635 3.415 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001305400886 1068642727 /nfs/dbraw/zinc/64/27/27/1068642727.db2.gz DBKXILJKTDCYQV-AYEXWZOKSA-N 1 1 484.693 3.303 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001305401947 1068643488 /nfs/dbraw/zinc/64/34/88/1068643488.db2.gz SSGQDCVWNJFYMD-WWNPGLIZSA-N 1 1 473.687 3.370 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ccc(NC(C)=O)nc1 ZINC001305403815 1068644177 /nfs/dbraw/zinc/64/41/77/1068644177.db2.gz NDGHVZJKUDGMNZ-UTSGNWPNSA-N 1 1 493.660 3.446 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305403582 1068644353 /nfs/dbraw/zinc/64/43/53/1068644353.db2.gz MCNUIXKEJCIHCW-CUDBPUKSSA-N 1 1 456.683 3.386 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305403582 1068644358 /nfs/dbraw/zinc/64/43/58/1068644358.db2.gz MCNUIXKEJCIHCW-CUDBPUKSSA-N 1 1 456.683 3.386 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305403990 1068644371 /nfs/dbraw/zinc/64/43/71/1068644371.db2.gz KQSCJQZPGDHRNS-UXHICEINSA-N 1 1 480.661 3.493 20 0 JGADMO CC[C@H](C)c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305404903 1068644926 /nfs/dbraw/zinc/64/49/26/1068644926.db2.gz CMVALJXSBMJPPF-HKUYNNGSSA-N 1 1 455.632 3.455 20 0 JGADMO CC[C@H](C)c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001305406734 1068646039 /nfs/dbraw/zinc/64/60/39/1068646039.db2.gz KGKYUKQBARCZKL-HKUYNNGSSA-N 1 1 455.632 3.455 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001305409403 1068648682 /nfs/dbraw/zinc/64/86/82/1068648682.db2.gz CEYOWOXFKHACBF-QKLQHJQFSA-N 1 1 493.578 3.243 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCc1ccccc1 ZINC001305410403 1068648733 /nfs/dbraw/zinc/64/87/33/1068648733.db2.gz HDLBYQLCSSALCR-HFMPRLQTSA-N 1 1 452.647 3.413 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCc1ccccc1 ZINC001305410407 1068649433 /nfs/dbraw/zinc/64/94/33/1068649433.db2.gz HDLBYQLCSSALCR-YZUZCNPQSA-N 1 1 452.647 3.413 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(OC)CCCCC1 ZINC001305412020 1068650568 /nfs/dbraw/zinc/65/05/68/1068650568.db2.gz MWIYHIFVWHGKLH-ONTIZHBOSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)cc1OC ZINC001305411768 1068650639 /nfs/dbraw/zinc/65/06/39/1068650639.db2.gz MBHGXRGCXZIZQR-MZLICYQSSA-N 1 1 498.672 3.236 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001305412087 1068651264 /nfs/dbraw/zinc/65/12/64/1068651264.db2.gz NTGQRTXGMJBYMZ-IUVFILBMSA-N 1 1 474.694 3.374 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1cccc(F)c1 ZINC001305412078 1068651398 /nfs/dbraw/zinc/65/13/98/1068651398.db2.gz NRSHRLJMUIVINY-YYDVJCTNSA-N 1 1 456.610 3.162 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCC(=O)N1CCCCCC1 ZINC001305420082 1068656443 /nfs/dbraw/zinc/65/64/43/1068656443.db2.gz LXCDILUPWPWZML-FDFHNCONSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305426052 1068662367 /nfs/dbraw/zinc/66/23/67/1068662367.db2.gz NEGURVNCXNFVHH-FGZHOGPDSA-N 1 1 474.694 3.379 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305426568 1068663582 /nfs/dbraw/zinc/66/35/82/1068663582.db2.gz PLGAUESPTNYNJX-VXKWHMMOSA-N 1 1 487.737 3.483 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305426668 1068664195 /nfs/dbraw/zinc/66/41/95/1068664195.db2.gz QMGTUMBXYMBFGV-OAQYLSRUSA-N 1 1 473.710 3.047 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305426668 1068664197 /nfs/dbraw/zinc/66/41/97/1068664197.db2.gz QMGTUMBXYMBFGV-OAQYLSRUSA-N 1 1 473.710 3.047 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305426668 1068664198 /nfs/dbraw/zinc/66/41/98/1068664198.db2.gz QMGTUMBXYMBFGV-OAQYLSRUSA-N 1 1 473.710 3.047 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001305429425 1068668007 /nfs/dbraw/zinc/66/80/07/1068668007.db2.gz MGOCDSPFMXTZEX-GHTZIAJQSA-N 1 1 460.589 3.367 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001305438238 1068674056 /nfs/dbraw/zinc/67/40/56/1068674056.db2.gz SINZMWWBOZVNDM-ZDXQCDESSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305443827 1068679069 /nfs/dbraw/zinc/67/90/69/1068679069.db2.gz UFOGWHPRQPUXEX-KRWDZBQOSA-N 1 1 450.591 3.211 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001305444803 1068679699 /nfs/dbraw/zinc/67/96/99/1068679699.db2.gz UJAOOJRLCIRVTJ-QFIPXVFZSA-N 1 1 482.673 3.389 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305449269 1068683349 /nfs/dbraw/zinc/68/33/49/1068683349.db2.gz JBWLMWDJAPZWMS-OALUTQOASA-N 1 1 468.712 3.162 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001305454861 1068693227 /nfs/dbraw/zinc/69/32/27/1068693227.db2.gz AMSSLSYOGPOMMZ-KIVTUJJHSA-N 1 1 458.626 3.055 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1nccn1C(F)F ZINC001305454793 1068693240 /nfs/dbraw/zinc/69/32/40/1068693240.db2.gz AANDVVXBANIQMT-GOSISDBHSA-N 1 1 464.609 3.426 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305454871 1068693298 /nfs/dbraw/zinc/69/32/98/1068693298.db2.gz APIZZXCTVOMJNX-XXBNENTESA-N 1 1 453.635 3.015 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(N3CCN(CC)C3=O)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305455503 1068694662 /nfs/dbraw/zinc/69/46/62/1068694662.db2.gz BZSIEQVWOWIMSW-PCCBWWKXSA-N 1 1 489.709 3.406 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305459060 1068700378 /nfs/dbraw/zinc/70/03/78/1068700378.db2.gz NJWXLXHBTYMJET-ZCNNSNEGSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305459933 1068702317 /nfs/dbraw/zinc/70/23/17/1068702317.db2.gz PGDJFECLLSUPEN-KIVTUJJHSA-N 1 1 459.610 3.266 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305462773 1068705931 /nfs/dbraw/zinc/70/59/31/1068705931.db2.gz HKRNIEKLGGFSES-HSALFYBXSA-N 1 1 483.661 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC=C(Br)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001305471833 1068714255 /nfs/dbraw/zinc/71/42/55/1068714255.db2.gz FOWVXYGCWDKCFO-JXFKEZNVSA-N 1 1 470.481 3.488 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305482494 1068719264 /nfs/dbraw/zinc/71/92/64/1068719264.db2.gz RYGBTVGUQMLUIH-RBBKRZOGSA-N 1 1 456.683 3.183 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305485191 1068721649 /nfs/dbraw/zinc/72/16/49/1068721649.db2.gz ISRGEUDTQGJPFP-FPOVZHCZSA-N 1 1 466.696 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305486270 1068723587 /nfs/dbraw/zinc/72/35/87/1068723587.db2.gz HISKOHLIXJZPFZ-FKBYEOEOSA-N 1 1 475.726 3.196 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305487431 1068724871 /nfs/dbraw/zinc/72/48/71/1068724871.db2.gz NKZUUWICEOMIEF-PWRODBHTSA-N 1 1 466.696 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001305502266 1068737025 /nfs/dbraw/zinc/73/70/25/1068737025.db2.gz GDYHOGSHLMGWNW-FQEVSTJZSA-N 1 1 456.635 3.227 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305502516 1068737442 /nfs/dbraw/zinc/73/74/42/1068737442.db2.gz UXWNBTGDZGDGNG-NRFANRHFSA-N 1 1 468.646 3.255 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305502516 1068737452 /nfs/dbraw/zinc/73/74/52/1068737452.db2.gz UXWNBTGDZGDGNG-NRFANRHFSA-N 1 1 468.646 3.255 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305504325 1068739731 /nfs/dbraw/zinc/73/97/31/1068739731.db2.gz HQZPHQXLEHKNJP-HXUWFJFHSA-N 1 1 472.657 3.068 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305504325 1068739742 /nfs/dbraw/zinc/73/97/42/1068739742.db2.gz HQZPHQXLEHKNJP-HXUWFJFHSA-N 1 1 472.657 3.068 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305504325 1068739755 /nfs/dbraw/zinc/73/97/55/1068739755.db2.gz HQZPHQXLEHKNJP-HXUWFJFHSA-N 1 1 472.657 3.068 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001305506194 1068742785 /nfs/dbraw/zinc/74/27/85/1068742785.db2.gz RQWYVNPDESQAKM-FQEVSTJZSA-N 1 1 483.661 3.179 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001305506194 1068742790 /nfs/dbraw/zinc/74/27/90/1068742790.db2.gz RQWYVNPDESQAKM-FQEVSTJZSA-N 1 1 483.661 3.179 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305508374 1068746470 /nfs/dbraw/zinc/74/64/70/1068746470.db2.gz CLWZFMRJIUNSQA-VWNXMTODSA-N 1 1 482.673 3.299 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)Oc1cccc(C)c1 ZINC001305513916 1068758953 /nfs/dbraw/zinc/75/89/53/1068758953.db2.gz MLQXRVBKYVZYRZ-XJUOHMSHSA-N 1 1 468.646 3.310 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C/Sc2cc(F)ccc2F)CC1 ZINC001305515560 1068762953 /nfs/dbraw/zinc/76/29/53/1068762953.db2.gz FFXGTKKLXLSCKQ-XISXUPMFSA-N 1 1 459.562 3.462 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)CSCc2ccccc2)CC1 ZINC001305518096 1068767063 /nfs/dbraw/zinc/76/70/63/1068767063.db2.gz XJCSAXREWDJTSV-XUZZJYLKSA-N 1 1 453.652 3.448 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001305518669 1068768087 /nfs/dbraw/zinc/76/80/87/1068768087.db2.gz MAEDINLDJHWNPZ-NFBKMPQASA-N 1 1 467.662 3.015 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001305518672 1068768679 /nfs/dbraw/zinc/76/86/79/1068768679.db2.gz MAEDINLDJHWNPZ-REWPJTCUSA-N 1 1 467.662 3.015 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305519484 1068769742 /nfs/dbraw/zinc/76/97/42/1068769742.db2.gz BFIYXNQSBSUKNH-UXHICEINSA-N 1 1 488.681 3.292 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CCCCn1cc[nH+]c1C ZINC001305524056 1068777154 /nfs/dbraw/zinc/77/71/54/1068777154.db2.gz QUFBZNRUFZGCRQ-LJQANCHMSA-N 1 1 464.618 3.202 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](C)Cc2cccc(OC)c2)CC1 ZINC001305525056 1068777647 /nfs/dbraw/zinc/77/76/47/1068777647.db2.gz MBBWHKWUMCSYOS-BWKNWUBXSA-N 1 1 451.611 3.156 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C)Cc2cccc(OC)c2)CC1 ZINC001305525062 1068777728 /nfs/dbraw/zinc/77/77/28/1068777728.db2.gz MBBWHKWUMCSYOS-OFVILXPXSA-N 1 1 451.611 3.156 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305525554 1068779120 /nfs/dbraw/zinc/77/91/20/1068779120.db2.gz IHNJXAMTGFHUBN-QUCCMNQESA-N 1 1 462.042 3.013 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305527587 1068781245 /nfs/dbraw/zinc/78/12/45/1068781245.db2.gz QGAHSQKDJPNSFV-HXUWFJFHSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305527587 1068781251 /nfs/dbraw/zinc/78/12/51/1068781251.db2.gz QGAHSQKDJPNSFV-HXUWFJFHSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305527587 1068781257 /nfs/dbraw/zinc/78/12/57/1068781257.db2.gz QGAHSQKDJPNSFV-HXUWFJFHSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3cnn(C)c3)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001305529029 1068783820 /nfs/dbraw/zinc/78/38/20/1068783820.db2.gz OSRVFDYHFACQTI-KRWDZBQOSA-N 1 1 456.561 3.126 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCN(C)CC(F)(F)F ZINC001305532409 1068789418 /nfs/dbraw/zinc/78/94/18/1068789418.db2.gz BFXRFAPHKTVSOV-ROUUACIJSA-N 1 1 460.589 3.365 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305532556 1068790568 /nfs/dbraw/zinc/79/05/68/1068790568.db2.gz NSQPTDNXYDWZEQ-WOJBJXKFSA-N 1 1 477.723 3.152 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001305539966 1068808405 /nfs/dbraw/zinc/80/84/05/1068808405.db2.gz SMSDTEZFDJXHIH-BVZFJXPGSA-N 1 1 457.667 3.405 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305540245 1068809679 /nfs/dbraw/zinc/80/96/79/1068809679.db2.gz TZNJBDCXPWOVFC-LEWJYISDSA-N 1 1 486.636 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCN1CCN(Cc2ccccc2)CC1 ZINC001305540947 1068811127 /nfs/dbraw/zinc/81/11/27/1068811127.db2.gz YBDGBFRTZMICSW-DEOSSOPVSA-N 1 1 467.706 3.387 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305540933 1068811524 /nfs/dbraw/zinc/81/15/24/1068811524.db2.gz XVDLVNQUEAUHPL-MSOLQXFVSA-N 1 1 478.579 3.171 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)n1Cc1nncn1CC ZINC001305541709 1068812740 /nfs/dbraw/zinc/81/27/40/1068812740.db2.gz ZSHONDKUCCAHBJ-LJQANCHMSA-N 1 1 452.607 3.091 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001305542083 1068813586 /nfs/dbraw/zinc/81/35/86/1068813586.db2.gz MJQIDDQSGQDWPF-NQIIRXRSSA-N 1 1 454.619 3.348 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001305543073 1068816577 /nfs/dbraw/zinc/81/65/77/1068816577.db2.gz YVHCYDQVVKFOKG-GOSISDBHSA-N 1 1 452.578 3.308 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC001305543629 1068818299 /nfs/dbraw/zinc/81/82/99/1068818299.db2.gz BQTJMKPCYVBJES-QZNHQXDQSA-N 1 1 471.646 3.473 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC001305543627 1068818541 /nfs/dbraw/zinc/81/85/41/1068818541.db2.gz BQTJMKPCYVBJES-FUDKSRODSA-N 1 1 471.646 3.473 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001305543994 1068819197 /nfs/dbraw/zinc/81/91/97/1068819197.db2.gz FDEACQRMIHCIHL-QYZOEREBSA-N 1 1 452.644 3.109 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1nc(C)c(C)s1 ZINC001305544328 1068820447 /nfs/dbraw/zinc/82/04/47/1068820447.db2.gz OSSPCRJUFWNYLZ-UGKGYDQZSA-N 1 1 489.734 3.339 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1cccc(OC)c1 ZINC001305544578 1068820779 /nfs/dbraw/zinc/82/07/79/1068820779.db2.gz RAPCHACQMFPIHG-RDGATRHJSA-N 1 1 484.689 3.274 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC(C)(C)c1ccccn1 ZINC001305545327 1068822851 /nfs/dbraw/zinc/82/28/51/1068822851.db2.gz VRSQXIUURZEKPI-DHIUTWEWSA-N 1 1 483.705 3.396 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305546619 1068825847 /nfs/dbraw/zinc/82/58/47/1068825847.db2.gz LZNMGGWNWJTKNI-HBMCJLEFSA-N 1 1 459.683 3.494 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001305547370 1068827327 /nfs/dbraw/zinc/82/73/27/1068827327.db2.gz YYYOVTUYNNUHNV-SFTDATJTSA-N 1 1 468.646 3.119 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001305551854 1068830050 /nfs/dbraw/zinc/83/00/50/1068830050.db2.gz MNYKQJXNXUQOSI-SJLPKXTDSA-N 1 1 461.010 3.303 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001305551854 1068830062 /nfs/dbraw/zinc/83/00/62/1068830062.db2.gz MNYKQJXNXUQOSI-SJLPKXTDSA-N 1 1 461.010 3.303 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001305553674 1068832469 /nfs/dbraw/zinc/83/24/69/1068832469.db2.gz ROYPWYFTTAKMEJ-IPMKNSEASA-N 1 1 458.573 3.119 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](COC(C)C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001305563691 1068839870 /nfs/dbraw/zinc/83/98/70/1068839870.db2.gz ROPMMRSJRWWCMB-URXFXBBRSA-N 1 1 471.646 3.302 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](COC(C)C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001305563693 1068840025 /nfs/dbraw/zinc/84/00/25/1068840025.db2.gz ROPMMRSJRWWCMB-ZJSXRUAMSA-N 1 1 471.646 3.302 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305570189 1068844281 /nfs/dbraw/zinc/84/42/81/1068844281.db2.gz FMCXRVJVTYXBMD-AABGKKOBSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@@H](C)c1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305572374 1068846117 /nfs/dbraw/zinc/84/61/17/1068846117.db2.gz SOVDYGPIOKJTGO-IYWMVGAKSA-N 1 1 492.665 3.026 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305578741 1068850496 /nfs/dbraw/zinc/85/04/96/1068850496.db2.gz RGOYXGXACUJIOP-ROUUACIJSA-N 1 1 456.616 3.290 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001305580340 1068851932 /nfs/dbraw/zinc/85/19/32/1068851932.db2.gz JMPJUISFBIRYPR-PMACEKPBSA-N 1 1 456.635 3.430 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305581013 1068852519 /nfs/dbraw/zinc/85/25/19/1068852519.db2.gz YBCGNVKFZJHOLS-OALUTQOASA-N 1 1 485.658 3.137 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001305581411 1068852558 /nfs/dbraw/zinc/85/25/58/1068852558.db2.gz XQLCVUWWCBISSP-RTBURBONSA-N 1 1 476.691 3.208 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001305603251 1068867121 /nfs/dbraw/zinc/86/71/21/1068867121.db2.gz AHAAPWBDVHOKFI-ICSRJNTNSA-N 1 1 462.042 3.025 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001305603251 1068867132 /nfs/dbraw/zinc/86/71/32/1068867132.db2.gz AHAAPWBDVHOKFI-ICSRJNTNSA-N 1 1 462.042 3.025 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC001305603387 1068867891 /nfs/dbraw/zinc/86/78/91/1068867891.db2.gz KFLSMZBEJNAKTG-ICSRJNTNSA-N 1 1 470.618 3.259 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305604630 1068870616 /nfs/dbraw/zinc/87/06/16/1068870616.db2.gz BQCBALJSDXDYEC-BTYIYWSLSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001305604894 1068870787 /nfs/dbraw/zinc/87/07/87/1068870787.db2.gz GSGWMGKRXABQDU-LJQANCHMSA-N 1 1 488.633 3.360 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305604635 1068870801 /nfs/dbraw/zinc/87/08/01/1068870801.db2.gz BQCBALJSDXDYEC-QVKFZJNVSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001305604817 1068870825 /nfs/dbraw/zinc/87/08/25/1068870825.db2.gz CAKKIGUDNNNISN-GOSISDBHSA-N 1 1 457.026 3.389 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001305605538 1068872049 /nfs/dbraw/zinc/87/20/49/1068872049.db2.gz GITZKIFUTWJRIV-LAUBAEHRSA-N 1 1 493.027 3.296 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305605849 1068872094 /nfs/dbraw/zinc/87/20/94/1068872094.db2.gz GEKUSNWAIKZRPC-IVZQSRNASA-N 1 1 493.450 3.148 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001305606059 1068873099 /nfs/dbraw/zinc/87/30/99/1068873099.db2.gz KNVZXFWIBMZSQC-TZIWHRDSSA-N 1 1 484.645 3.188 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCc2ccccc2)C1 ZINC001305606253 1068873501 /nfs/dbraw/zinc/87/35/01/1068873501.db2.gz SKGHQTXFQZDSJS-UNMCSNQZSA-N 1 1 454.619 3.040 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001305606172 1068873536 /nfs/dbraw/zinc/87/35/36/1068873536.db2.gz LFYFBDSVLSQRGJ-SJORKVTESA-N 1 1 498.491 3.451 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001305606428 1068873853 /nfs/dbraw/zinc/87/38/53/1068873853.db2.gz IELIYSGJFAOYIO-IBGZPJMESA-N 1 1 469.659 3.463 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001305606837 1068874263 /nfs/dbraw/zinc/87/42/63/1068874263.db2.gz IMUGIGQOIKEYJF-OALUTQOASA-N 1 1 470.643 3.155 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 ZINC001305606910 1068874519 /nfs/dbraw/zinc/87/45/19/1068874519.db2.gz JOBUDWBGJSMDDL-BZZMCLGOSA-N 1 1 465.440 3.485 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001305607154 1068875237 /nfs/dbraw/zinc/87/52/37/1068875237.db2.gz WINFRTIUWSHJSN-RBBKRZOGSA-N 1 1 481.645 3.079 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001305607354 1068875258 /nfs/dbraw/zinc/87/52/58/1068875258.db2.gz KQNLECOWJBHOSH-GHTZIAJQSA-N 1 1 474.675 3.162 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001305607569 1068875905 /nfs/dbraw/zinc/87/59/05/1068875905.db2.gz QPSGVJQMUVXSOJ-MSOLQXFVSA-N 1 1 466.552 3.489 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305608129 1068878121 /nfs/dbraw/zinc/87/81/21/1068878121.db2.gz ORNLJBJXQYRIJJ-UONOGXRCSA-N 1 1 469.453 3.214 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305608057 1068878135 /nfs/dbraw/zinc/87/81/35/1068878135.db2.gz RXBJKPHPYAVGMD-IAGOWNOFSA-N 1 1 482.551 3.477 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001305608310 1068878752 /nfs/dbraw/zinc/87/87/52/1068878752.db2.gz OLNFQMKMZXQSKH-MSOLQXFVSA-N 1 1 463.026 3.470 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 ZINC001305608765 1068880466 /nfs/dbraw/zinc/88/04/66/1068880466.db2.gz QSWQJIOGZABHDD-ROUUACIJSA-N 1 1 460.598 3.250 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001305609436 1068881175 /nfs/dbraw/zinc/88/11/75/1068881175.db2.gz DGNJHOUNGRNIHD-RBUKOAKNSA-N 1 1 451.619 3.130 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001305609451 1068881723 /nfs/dbraw/zinc/88/17/23/1068881723.db2.gz DHMSLXKVSQMDOK-NHCUHLMSSA-N 1 1 467.662 3.324 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001305609451 1068881733 /nfs/dbraw/zinc/88/17/33/1068881733.db2.gz DHMSLXKVSQMDOK-NHCUHLMSSA-N 1 1 467.662 3.324 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001305609463 1068881934 /nfs/dbraw/zinc/88/19/34/1068881934.db2.gz DNIUDIMGULNKRG-PXNSSMCTSA-N 1 1 466.586 3.141 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305609447 1068882009 /nfs/dbraw/zinc/88/20/09/1068882009.db2.gz DGUHXSCYPVWDCK-WSTZPKSXSA-N 1 1 457.623 3.420 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001305609578 1068882817 /nfs/dbraw/zinc/88/28/17/1068882817.db2.gz WLBYXUNAVBRBIT-FGTMMUONSA-N 1 1 473.576 3.379 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001305609917 1068883466 /nfs/dbraw/zinc/88/34/66/1068883466.db2.gz XFFKALILLZVVPB-GAJHUEQPSA-N 1 1 496.077 3.352 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001305610305 1068883961 /nfs/dbraw/zinc/88/39/61/1068883961.db2.gz GRKZTODJCLZJFN-FQEVSTJZSA-N 1 1 455.651 3.385 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001305610061 1068884203 /nfs/dbraw/zinc/88/42/03/1068884203.db2.gz YETMDXNMNZPKTO-QUCCMNQESA-N 1 1 459.591 3.034 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305611304 1068885319 /nfs/dbraw/zinc/88/53/19/1068885319.db2.gz YYJVFIZLCYIUQT-MAUKXSAKSA-N 1 1 463.424 3.153 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001305610957 1068885387 /nfs/dbraw/zinc/88/53/87/1068885387.db2.gz XKEFNRDVIMEPDE-QGZVFWFLSA-N 1 1 460.026 3.323 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001305611373 1068886325 /nfs/dbraw/zinc/88/63/25/1068886325.db2.gz ZOLRSWSTSGQHLC-PXNSSMCTSA-N 1 1 497.669 3.059 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001305611834 1068886877 /nfs/dbraw/zinc/88/68/77/1068886877.db2.gz NPSGHEATQVKFOF-FQEVSTJZSA-N 1 1 494.688 3.357 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001305612411 1068887813 /nfs/dbraw/zinc/88/78/13/1068887813.db2.gz DBADGCSIKQDFKQ-SFHVURJKSA-N 1 1 465.602 3.214 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001305613061 1068888506 /nfs/dbraw/zinc/88/85/06/1068888506.db2.gz GZQIBKIWCPCZMI-FQEVSTJZSA-N 1 1 453.635 3.218 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001305612943 1068888522 /nfs/dbraw/zinc/88/85/22/1068888522.db2.gz TXLQYUAEOJEIQM-SFHVURJKSA-N 1 1 497.047 3.149 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001305613307 1068888764 /nfs/dbraw/zinc/88/87/64/1068888764.db2.gz FGOVEXJYUZPSEB-IRLDBZIGSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001305613319 1068888834 /nfs/dbraw/zinc/88/88/34/1068888834.db2.gz FNPOVAGECGZSGC-LJQANCHMSA-N 1 1 456.610 3.306 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001305614164 1068890405 /nfs/dbraw/zinc/89/04/05/1068890405.db2.gz LYCKOKBCOXOXJL-IERDGZPVSA-N 1 1 459.545 3.265 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001305614173 1068890574 /nfs/dbraw/zinc/89/05/74/1068890574.db2.gz ZWYIPKYYROEXKW-LJQANCHMSA-N 1 1 465.577 3.172 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001305614248 1068891201 /nfs/dbraw/zinc/89/12/01/1068891201.db2.gz NHFYYISNQUZXIE-OTWHNJEPSA-N 1 1 451.619 3.497 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305614546 1068891367 /nfs/dbraw/zinc/89/13/67/1068891367.db2.gz PANQNSNCNPFDKL-FXAWDEMLSA-N 1 1 451.575 3.045 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001305614755 1068892065 /nfs/dbraw/zinc/89/20/65/1068892065.db2.gz PEIZNMZZMCAYNS-OAQYLSRUSA-N 1 1 461.614 3.341 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001305615825 1068894164 /nfs/dbraw/zinc/89/41/64/1068894164.db2.gz XPLHAHRQYXJTIS-IBGZPJMESA-N 1 1 454.619 3.133 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001305615794 1068894499 /nfs/dbraw/zinc/89/44/99/1068894499.db2.gz CMBXRLTWACUYID-HKUYNNGSSA-N 1 1 493.699 3.071 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001305615794 1068894507 /nfs/dbraw/zinc/89/45/07/1068894507.db2.gz CMBXRLTWACUYID-HKUYNNGSSA-N 1 1 493.699 3.071 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001305615940 1068894549 /nfs/dbraw/zinc/89/45/49/1068894549.db2.gz RXIFWWPBNYEHKF-WBVHZDCISA-N 1 1 482.555 3.016 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001305616137 1068894880 /nfs/dbraw/zinc/89/48/80/1068894880.db2.gz ZMMSOYGFMBXCMI-BZSNNMDCSA-N 1 1 460.648 3.415 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 ZINC001305616180 1068895269 /nfs/dbraw/zinc/89/52/69/1068895269.db2.gz SXTHIKIKCOOHMV-NHCUHLMSSA-N 1 1 488.652 3.372 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001305616837 1068896777 /nfs/dbraw/zinc/89/67/77/1068896777.db2.gz IQOVDNNWVWINRN-IFMALSPDSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001305617441 1068897778 /nfs/dbraw/zinc/89/77/78/1068897778.db2.gz HNOGDVOHMKVCGO-UNMCSNQZSA-N 1 1 458.626 3.039 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001305617720 1068898754 /nfs/dbraw/zinc/89/87/54/1068898754.db2.gz CEGZRNZAXYOMKC-FPOVZHCZSA-N 1 1 484.624 3.452 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@H]1CCCO1 ZINC001305617708 1068899579 /nfs/dbraw/zinc/89/95/79/1068899579.db2.gz MNOIASVDFVFKSQ-HBMCJLEFSA-N 1 1 494.681 3.322 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnccn2)CC1 ZINC001305617748 1068899701 /nfs/dbraw/zinc/89/97/01/1068899701.db2.gz CIQSSMGRHVNXKU-JOCHJYFZSA-N 1 1 478.645 3.321 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001305618797 1068901801 /nfs/dbraw/zinc/90/18/01/1068901801.db2.gz DUPTTXLMPIFVRS-UFYCRDLUSA-N 1 1 492.665 3.470 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001305618838 1068901816 /nfs/dbraw/zinc/90/18/16/1068901816.db2.gz FETFHQHDOYWYDS-GBESFXJTSA-N 1 1 493.697 3.130 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001305618693 1068902120 /nfs/dbraw/zinc/90/21/20/1068902120.db2.gz MNYIDIMHKQJLKK-NRFANRHFSA-N 1 1 496.660 3.162 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001305619650 1068903446 /nfs/dbraw/zinc/90/34/46/1068903446.db2.gz GYKNTDJSYLKQEX-FDDCHVKYSA-N 1 1 464.010 3.237 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001305620113 1068904823 /nfs/dbraw/zinc/90/48/23/1068904823.db2.gz PXTJHWQLMXSJAP-CRAIPNDOSA-N 1 1 458.636 3.440 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001305620098 1068905032 /nfs/dbraw/zinc/90/50/32/1068905032.db2.gz LHWMPYIDFRNRNM-OAQYLSRUSA-N 1 1 468.646 3.345 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001305620891 1068906268 /nfs/dbraw/zinc/90/62/68/1068906268.db2.gz XPAVICRPKJRHOK-INAZGPRKSA-N 1 1 495.734 3.475 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001305620895 1068906337 /nfs/dbraw/zinc/90/63/37/1068906337.db2.gz XPAVICRPKJRHOK-UTZODRGISA-N 1 1 495.734 3.475 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305621022 1068906992 /nfs/dbraw/zinc/90/69/92/1068906992.db2.gz ARHQOJYRHIYGJC-ANULTFPQSA-N 1 1 494.681 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CC[C@](O)(c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305621053 1068907068 /nfs/dbraw/zinc/90/70/68/1068907068.db2.gz LLUGFFPLVBRUNN-LZYPDUGYSA-N 1 1 489.636 3.286 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001305621644 1068908022 /nfs/dbraw/zinc/90/80/22/1068908022.db2.gz WPHQBUXXCNXNON-NRFANRHFSA-N 1 1 450.635 3.416 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001305622071 1068909665 /nfs/dbraw/zinc/90/96/65/1068909665.db2.gz YHRFCPHACOVCEU-LNLFQRSKSA-N 1 1 479.551 3.403 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001305622180 1068910392 /nfs/dbraw/zinc/91/03/92/1068910392.db2.gz FRMFOQLKYOHZQX-DENIHFKCSA-N 1 1 454.619 3.259 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001305622860 1068911755 /nfs/dbraw/zinc/91/17/55/1068911755.db2.gz ULVUTROSFNDROJ-PXDATVDWSA-N 1 1 457.619 3.200 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001305623134 1068913098 /nfs/dbraw/zinc/91/30/98/1068913098.db2.gz RTGVTVXXLHWAEG-RKCWLVDCSA-N 1 1 487.693 3.413 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001305623175 1068913127 /nfs/dbraw/zinc/91/31/27/1068913127.db2.gz SHPWUJSSMRRPDT-NRFANRHFSA-N 1 1 468.646 3.487 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ncccn2)CC1 ZINC001305623201 1068913642 /nfs/dbraw/zinc/91/36/42/1068913642.db2.gz SRBCETQQWUVFOL-NRFANRHFSA-N 1 1 464.618 3.012 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001305623414 1068914244 /nfs/dbraw/zinc/91/42/44/1068914244.db2.gz UDDPVRMYIARTLD-MRXNPFEDSA-N 1 1 451.040 3.233 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001305623479 1068914351 /nfs/dbraw/zinc/91/43/51/1068914351.db2.gz YIBMGCNTDOZMKR-RXVVDRJESA-N 1 1 475.037 3.362 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001305623505 1068914410 /nfs/dbraw/zinc/91/44/10/1068914410.db2.gz VIIYBWPIKXDOMA-PXTPFGJHSA-N 1 1 471.712 3.185 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001305623688 1068914916 /nfs/dbraw/zinc/91/49/16/1068914916.db2.gz VNNSWBIDLMVMHT-VWPQPMDRSA-N 1 1 470.618 3.139 20 0 JGADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1 ZINC001305623690 1068915724 /nfs/dbraw/zinc/91/57/24/1068915724.db2.gz NJRUIDGCHNJMRJ-NHCUHLMSSA-N 1 1 491.640 3.074 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001305623743 1068915796 /nfs/dbraw/zinc/91/57/96/1068915796.db2.gz VXURYUOMJVMFSU-NBGIEHNGSA-N 1 1 470.618 3.235 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001305623864 1068916722 /nfs/dbraw/zinc/91/67/22/1068916722.db2.gz OMHJXOAAERUHJC-WMZHIEFXSA-N 1 1 474.625 3.330 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305624399 1068917833 /nfs/dbraw/zinc/91/78/33/1068917833.db2.gz QWFKDYAWWGRTMX-IEBWSBKVSA-N 1 1 450.628 3.353 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001305643598 1068966248 /nfs/dbraw/zinc/96/62/48/1068966248.db2.gz NISAWCMZZGSQRM-UNMCSNQZSA-N 1 1 468.646 3.051 20 0 JGADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001305643547 1068966286 /nfs/dbraw/zinc/96/62/86/1068966286.db2.gz LWCRRMPJSYLSEE-FCHUYYIVSA-N 1 1 495.716 3.059 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001305644689 1068970283 /nfs/dbraw/zinc/97/02/83/1068970283.db2.gz ZTYFFIAQDSZFEF-HBMCJLEFSA-N 1 1 456.635 3.389 20 0 JGADMO CC[C@@H](c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC001305651003 1068987753 /nfs/dbraw/zinc/98/77/53/1068987753.db2.gz RAORROPMWGOLOA-HMXCVIKNSA-N 1 1 470.643 3.463 20 0 JGADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001305651409 1068988959 /nfs/dbraw/zinc/98/89/59/1068988959.db2.gz ZNVDGTMPHFXWIW-VXKWHMMOSA-N 1 1 475.726 3.168 20 0 JGADMO CC[C@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001305658416 1068997677 /nfs/dbraw/zinc/99/76/77/1068997677.db2.gz YVFREPQWJNPTNN-VXKWHMMOSA-N 1 1 459.660 3.319 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCCN1CCOCC1)c1ccccc1 ZINC001305658705 1068998155 /nfs/dbraw/zinc/99/81/55/1068998155.db2.gz FXDKRHUWLZDPNE-WMTXJRDZSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCCN1CCOCC1)c1ccccc1 ZINC001305658702 1068998347 /nfs/dbraw/zinc/99/83/47/1068998347.db2.gz FXDKRHUWLZDPNE-CQOQZXRMSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(F)(F)F)c1ccccc1 ZINC001305658741 1068999082 /nfs/dbraw/zinc/99/90/82/1068999082.db2.gz GDLZUGTXQAVYSO-DUXKGJEZSA-N 1 1 478.563 3.371 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCCCn1cc[nH+]c1C)c1ccccc1 ZINC001305663319 1069003695 /nfs/dbraw/zinc/00/36/95/1069003695.db2.gz AFGCTDLHWOOLNW-FGZHOGPDSA-N 1 1 470.643 3.429 20 0 JGADMO CC[C@H](c1nnc(N2CCC(CO)CC2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001305666280 1069008548 /nfs/dbraw/zinc/00/85/48/1069008548.db2.gz YKZVJSTZYMERMV-DEOSSOPVSA-N 1 1 454.663 3.056 20 0 JGADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001305670569 1069016717 /nfs/dbraw/zinc/01/67/17/1069016717.db2.gz LEKLTWUZJBWJGI-JYFHCDHNSA-N 1 1 495.716 3.152 20 0 JGADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001305670571 1069016795 /nfs/dbraw/zinc/01/67/95/1069016795.db2.gz LEKLTWUZJBWJGI-ZEQKJWHPSA-N 1 1 495.716 3.152 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(=O)NC)CC2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001305670831 1069017493 /nfs/dbraw/zinc/01/74/93/1069017493.db2.gz CWEYWYOXADZYGF-QFIPXVFZSA-N 1 1 453.635 3.156 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001305675227 1069027762 /nfs/dbraw/zinc/02/77/62/1069027762.db2.gz AZZYVAITMBYRGJ-JWQCQUIFSA-N 1 1 498.716 3.212 20 0 JGADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001305677129 1069032415 /nfs/dbraw/zinc/03/24/15/1069032415.db2.gz KYZBNVAJKGPBFK-HSZRJFAPSA-N 1 1 484.645 3.067 20 0 JGADMO CC[C@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001305682037 1069040365 /nfs/dbraw/zinc/04/03/65/1069040365.db2.gz MJKITBOZQXDARC-IRLDBZIGSA-N 1 1 459.660 3.319 20 0 JGADMO CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001305697176 1069072651 /nfs/dbraw/zinc/07/26/51/1069072651.db2.gz UICPZCYBBUDIBU-TZIWHRDSSA-N 1 1 462.683 3.061 20 0 JGADMO CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001305701643 1069083269 /nfs/dbraw/zinc/08/32/69/1069083269.db2.gz HWFLRFXSLLPKTC-VXKWHMMOSA-N 1 1 460.667 3.130 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001305708429 1069100467 /nfs/dbraw/zinc/10/04/67/1069100467.db2.gz WQOSCIBMLINGJD-RTWAWAEBSA-N 1 1 462.683 3.426 20 0 JGADMO CCC(CC)[C@@H](Cn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001305713827 1069116479 /nfs/dbraw/zinc/11/64/79/1069116479.db2.gz HHXOJBTZNANBLL-HSZRJFAPSA-N 1 1 476.710 3.014 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CC)[C@H](C)C1)N1CCOCC1 ZINC001305715627 1069121132 /nfs/dbraw/zinc/12/11/32/1069121132.db2.gz NGGKDAQJIZIHKH-AKIFATBCSA-N 1 1 462.683 3.187 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)N1CCOCC1 ZINC001305715627 1069121136 /nfs/dbraw/zinc/12/11/36/1069121136.db2.gz NGGKDAQJIZIHKH-AKIFATBCSA-N 1 1 462.683 3.187 20 0 JGADMO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001305718007 1069125471 /nfs/dbraw/zinc/12/54/71/1069125471.db2.gz XKTHBAIDZHQOPS-GOTSBHOMSA-N 1 1 456.683 3.181 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCC1 ZINC001305723694 1069137384 /nfs/dbraw/zinc/13/73/84/1069137384.db2.gz PHQNRBSXUJOPCZ-JOCHJYFZSA-N 1 1 468.646 3.212 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305725108 1069140536 /nfs/dbraw/zinc/14/05/36/1069140536.db2.gz VYJFUONHDMNIBV-IAGOWNOFSA-N 1 1 470.647 3.352 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2nccs2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305727876 1069146437 /nfs/dbraw/zinc/14/64/37/1069146437.db2.gz YZCSPUACPJQYKQ-UHFFFAOYSA-N 1 1 479.614 3.227 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305728219 1069148354 /nfs/dbraw/zinc/14/83/54/1069148354.db2.gz JDKSTGHEJOWJBY-VQTJNVASSA-N 1 1 468.646 3.116 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001305735160 1069155256 /nfs/dbraw/zinc/15/52/56/1069155256.db2.gz KUMPKTJJQZJMFW-FCEUIQTBSA-N 1 1 487.693 3.099 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@](C)(O)c1ccccc1Cl ZINC001305737949 1069162299 /nfs/dbraw/zinc/16/22/99/1069162299.db2.gz ARMDQAWMRYVRGO-FXJWSJNKSA-N 1 1 489.064 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1csc(C)c1 ZINC001305739014 1069165615 /nfs/dbraw/zinc/16/56/15/1069165615.db2.gz DUWODEMPKYRVTD-TZIWHRDSSA-N 1 1 474.675 3.162 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741526 1069173705 /nfs/dbraw/zinc/17/37/05/1069173705.db2.gz STXVOQOHZVKSQB-ACRUOGEOSA-N 1 1 495.672 3.169 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305742874 1069178108 /nfs/dbraw/zinc/17/81/08/1069178108.db2.gz LJYURRVCARESCW-KRWDZBQOSA-N 1 1 480.617 3.138 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CCn1cc[nH+]c1C ZINC001305744213 1069183229 /nfs/dbraw/zinc/18/32/29/1069183229.db2.gz QIWMKOYMLJRHLY-QGZVFWFLSA-N 1 1 451.575 3.189 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305744726 1069184469 /nfs/dbraw/zinc/18/44/69/1069184469.db2.gz XRDNUTFZUVYVJJ-KWALNSLNSA-N 1 1 490.693 3.234 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305744742 1069184478 /nfs/dbraw/zinc/18/44/78/1069184478.db2.gz XSJAJFJPKMHUPT-RZUBCFFCSA-N 1 1 474.694 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001305748114 1069192260 /nfs/dbraw/zinc/19/22/60/1069192260.db2.gz DSUPHAURKWYNOY-UHFFFAOYSA-N 1 1 460.667 3.468 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305751080 1069197330 /nfs/dbraw/zinc/19/73/30/1069197330.db2.gz WTVZIOYJSVWELZ-FQEVSTJZSA-N 1 1 473.710 3.239 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305751792 1069198196 /nfs/dbraw/zinc/19/81/96/1069198196.db2.gz QAIYMNMPQRFRLJ-IBGZPJMESA-N 1 1 470.666 3.188 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001305754802 1069205597 /nfs/dbraw/zinc/20/55/97/1069205597.db2.gz JQGGJNJCARDYLM-GOSISDBHSA-N 1 1 493.027 3.196 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC1CCCC1 ZINC001305757109 1069212902 /nfs/dbraw/zinc/21/29/02/1069212902.db2.gz RXFHVSYTJYFANI-UHFFFAOYSA-N 1 1 473.710 3.382 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305760479 1069224606 /nfs/dbraw/zinc/22/46/06/1069224606.db2.gz JJVOBPGOYNCBIH-WZONZLPQSA-N 1 1 460.648 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305761506 1069228356 /nfs/dbraw/zinc/22/83/56/1069228356.db2.gz KVSPIKCCOUPXSO-RTBURBONSA-N 1 1 486.636 3.428 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3OCCC[C@@H]3C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305764126 1069233289 /nfs/dbraw/zinc/23/32/89/1069233289.db2.gz JOEWMRPTKNFQAR-DENIHFKCSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305765855 1069236758 /nfs/dbraw/zinc/23/67/58/1069236758.db2.gz YOSZBLWTMDAPLD-IRLDBZIGSA-N 1 1 462.683 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@]1(O)CCSC1 ZINC001305766906 1069238263 /nfs/dbraw/zinc/23/82/63/1069238263.db2.gz AXWKZWBOHUCTOY-WZOHSFFVSA-N 1 1 492.734 3.155 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001305769423 1069244764 /nfs/dbraw/zinc/24/47/64/1069244764.db2.gz CJBXKUIRRHOEDC-NQIIRXRSSA-N 1 1 460.667 3.465 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305776484 1069260501 /nfs/dbraw/zinc/26/05/01/1069260501.db2.gz ULTFBVPFZVAXMK-XQBPLPMBSA-N 1 1 470.666 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCC(=O)NC(C)(C)C ZINC001305777241 1069262788 /nfs/dbraw/zinc/26/27/88/1069262788.db2.gz XDSPRHKPKFMXCH-UHFFFAOYSA-N 1 1 497.688 3.214 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001305777670 1069263745 /nfs/dbraw/zinc/26/37/45/1069263745.db2.gz OGQKQCPRIMANAX-HSZRJFAPSA-N 1 1 466.630 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305779936 1069269438 /nfs/dbraw/zinc/26/94/38/1069269438.db2.gz IUBLITIYRDOKDN-UXHICEINSA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001305780605 1069271674 /nfs/dbraw/zinc/27/16/74/1069271674.db2.gz UZAUABBRXQTMHJ-FQEVSTJZSA-N 1 1 475.707 3.481 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(C)c3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305783799 1069278789 /nfs/dbraw/zinc/27/87/89/1069278789.db2.gz XYLWXKXLYWZTGQ-OAQYLSRUSA-N 1 1 467.662 3.173 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCc1ccc2[nH]ccc2c1 ZINC001305785574 1069286195 /nfs/dbraw/zinc/28/61/95/1069286195.db2.gz HPTPPGVYMCJNQZ-SFHVURJKSA-N 1 1 451.619 3.451 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001305786599 1069291425 /nfs/dbraw/zinc/29/14/25/1069291425.db2.gz WROSUFHQYQLABY-SIBVEZHUSA-N 1 1 474.694 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCC(C)(C)O ZINC001305786831 1069291885 /nfs/dbraw/zinc/29/18/85/1069291885.db2.gz BEOPDPDVKYDZQV-LJQANCHMSA-N 1 1 456.635 3.068 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305787454 1069294399 /nfs/dbraw/zinc/29/43/99/1069294399.db2.gz AFXCTEKMLMCAJT-GOTSBHOMSA-N 1 1 485.652 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305787454 1069294409 /nfs/dbraw/zinc/29/44/09/1069294409.db2.gz AFXCTEKMLMCAJT-GOTSBHOMSA-N 1 1 485.652 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1C[C@@H]1C[C@@H]1C ZINC001305787935 1069295793 /nfs/dbraw/zinc/29/57/93/1069295793.db2.gz QILNSMLAWRJGOC-ICSRJNTNSA-N 1 1 454.619 3.183 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1cccc(F)c1F ZINC001305788519 1069296848 /nfs/dbraw/zinc/29/68/48/1069296848.db2.gz WLXLWGVIYJXSPI-HXUWFJFHSA-N 1 1 490.599 3.018 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1cccc(F)c1F ZINC001305788516 1069296999 /nfs/dbraw/zinc/29/69/99/1069296999.db2.gz WLXLWGVIYJXSPI-FQEVSTJZSA-N 1 1 490.599 3.018 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@](C)(O)C1CCCCC1 ZINC001305788884 1069298156 /nfs/dbraw/zinc/29/81/56/1069298156.db2.gz MJPJRWPZHRYPMG-OFVILXPXSA-N 1 1 460.667 3.202 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001305788961 1069298597 /nfs/dbraw/zinc/29/85/97/1069298597.db2.gz YMEZJMXPUDYPRC-ICSRJNTNSA-N 1 1 478.707 3.029 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H]1CCSC1(C)C ZINC001305788962 1069298924 /nfs/dbraw/zinc/29/89/24/1069298924.db2.gz YMEZJMXPUDYPRC-QUCCMNQESA-N 1 1 478.707 3.029 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001305790224 1069301542 /nfs/dbraw/zinc/30/15/42/1069301542.db2.gz UGTXVFWWIAVABG-NFBKMPQASA-N 1 1 467.662 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305792350 1069306300 /nfs/dbraw/zinc/30/63/00/1069306300.db2.gz AXNQCZGMUKKPJQ-NHCUHLMSSA-N 1 1 472.634 3.488 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305793122 1069307969 /nfs/dbraw/zinc/30/79/69/1069307969.db2.gz WSMCASAJPLDBCN-IBGZPJMESA-N 1 1 468.646 3.259 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)Nc4ccccc4[C@@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164401515 718857561 /nfs/dbraw/zinc/85/75/61/718857561.db2.gz FZQGGMLHZHSGRE-IHPCNDPISA-N 1 1 477.609 3.053 20 0 JGADMO CCOC(=O)c1nc2n(n1)CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164617302 719005643 /nfs/dbraw/zinc/00/56/43/719005643.db2.gz RMXXXNWDLIRENE-OAHLLOKOSA-N 1 1 481.626 3.200 20 0 JGADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164630106 719092394 /nfs/dbraw/zinc/09/23/94/719092394.db2.gz VIMCOEOHRBCUOL-MAUKXSAKSA-N 1 1 456.946 3.028 20 0 JGADMO CN1CCN(c2cccc(N(Cc3cccnc3)c3ccc4nc(C5CC[NH2+]CC5)nn4c3)n2)CC1 ZINC001164629741 719138877 /nfs/dbraw/zinc/13/88/77/719138877.db2.gz DDJYHAOUPCDFJZ-UHFFFAOYSA-N 1 1 483.624 3.076 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccc(F)cc4)nc4ccccc43)CC2)C1=O ZINC001164644542 719280163 /nfs/dbraw/zinc/28/01/63/719280163.db2.gz NRWKURDDBMKEOJ-UHFFFAOYSA-N 1 1 463.557 3.195 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccc(F)cc4)nc4ccccc43)CC2)C1=O ZINC001164644542 719280166 /nfs/dbraw/zinc/28/01/66/719280166.db2.gz NRWKURDDBMKEOJ-UHFFFAOYSA-N 1 1 463.557 3.195 20 0 JGADMO COCCOc1cc2ncnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2cc1OCCOC ZINC001164648772 719308652 /nfs/dbraw/zinc/30/86/52/719308652.db2.gz RIIIGJGTAHBLQI-UHFFFAOYSA-N 1 1 498.628 3.082 20 0 JGADMO Cc1cc2nc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc(N3CCOCC3)c2s1 ZINC001164648359 719313080 /nfs/dbraw/zinc/31/30/80/719313080.db2.gz ISLXWNYKAFGDSK-UHFFFAOYSA-N 1 1 455.632 3.238 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnoc3C)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164649296 719320825 /nfs/dbraw/zinc/32/08/25/719320825.db2.gz BZLCGWLRYZNSQO-BQUSRXHISA-N 1 1 453.587 3.339 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164665420 719356426 /nfs/dbraw/zinc/35/64/26/719356426.db2.gz WVBRRTYCDSTMDU-FQEVSTJZSA-N 1 1 452.937 3.259 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)nc4Cl)C3)C2)cc[nH+]1 ZINC001164663914 719356608 /nfs/dbraw/zinc/35/66/08/719356608.db2.gz IRTUEXASBHLQKJ-LJQANCHMSA-N 1 1 488.370 3.308 20 0 JGADMO C[N@H+]1CCO[C@H]2CN(c3nc4nc[nH]c4c(N(Cc4ccccc4)Cc4ccccc4)n3)C[C@H]21 ZINC001164673130 719406858 /nfs/dbraw/zinc/40/68/58/719406858.db2.gz SMAUJDRTJWZNIR-YADHBBJMSA-N 1 1 455.566 3.079 20 0 JGADMO CN1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]21 ZINC001164669269 719426817 /nfs/dbraw/zinc/42/68/17/719426817.db2.gz LMXLIZNSZWEVNY-FCHUYYIVSA-N 1 1 455.002 3.276 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]32)nc1 ZINC001164691444 719800655 /nfs/dbraw/zinc/80/06/55/719800655.db2.gz GYAAFBBBTNVYTB-RTBURBONSA-N 1 1 477.638 3.050 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]32)nc1 ZINC001164691443 719800668 /nfs/dbraw/zinc/80/06/68/719800668.db2.gz GYAAFBBBTNVYTB-RBUKOAKNSA-N 1 1 477.638 3.050 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5OCCN(c6ncccn6)[C@H]5C4)c32)C1 ZINC001164690872 719800900 /nfs/dbraw/zinc/80/09/00/719800900.db2.gz BJIONKOGSYFEHY-YZGWKJHDSA-N 1 1 491.665 3.296 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@H]3C2)nc1 ZINC001164702583 719820023 /nfs/dbraw/zinc/82/00/23/719820023.db2.gz SDKKNEWXRMPVDK-GATIMQMVSA-N 1 1 463.626 3.366 20 0 JGADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1c(C)c(C)n2Cc1ccccc1 ZINC001164702899 719868146 /nfs/dbraw/zinc/86/81/46/719868146.db2.gz JHANIXOCEALGTP-AJTFRIOCSA-N 1 1 477.609 3.329 20 0 JGADMO CC(=O)Oc1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2cc1OC(C)=O ZINC001164698990 719896013 /nfs/dbraw/zinc/89/60/13/719896013.db2.gz VIBRGKMOGAPULU-UHFFFAOYSA-N 1 1 496.589 3.413 20 0 JGADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697553 719896197 /nfs/dbraw/zinc/89/61/97/719896197.db2.gz KVSRKWLNZGEOIE-UHFFFAOYSA-N 1 1 458.628 3.491 20 0 JGADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164706304 719898492 /nfs/dbraw/zinc/89/84/92/719898492.db2.gz HKIOCCJNQRSWEJ-UHFFFAOYSA-N 1 1 454.934 3.436 20 0 JGADMO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164707080 719898562 /nfs/dbraw/zinc/89/85/62/719898562.db2.gz NBYPQKQILGOVNW-LJQANCHMSA-N 1 1 478.684 3.481 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cnccn3)C2)nc1 ZINC001164716319 720055957 /nfs/dbraw/zinc/05/59/57/720055957.db2.gz VLFWAOBONXQMBX-FDHFVPJWSA-N 1 1 464.614 3.222 20 0 JGADMO Cc1noc([C@]23COC[C@@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)C3)n1 ZINC001164798893 720060166 /nfs/dbraw/zinc/06/01/66/720060166.db2.gz AERPTQSKCVDMPS-UPCLLVRISA-N 1 1 466.611 3.262 20 0 JGADMO Cc1noc([C@@]23COC[C@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)C3)n1 ZINC001164798891 720060362 /nfs/dbraw/zinc/06/03/62/720060362.db2.gz AERPTQSKCVDMPS-GYCJOSAFSA-N 1 1 466.611 3.262 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)nc1 ZINC001164713306 720087121 /nfs/dbraw/zinc/08/71/21/720087121.db2.gz SIWVNRKYJQFJMN-VUMQFKOGSA-N 1 1 456.631 3.394 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164714855 720117300 /nfs/dbraw/zinc/11/73/00/720117300.db2.gz CRTGJEAVGCYZNT-FQEVSTJZSA-N 1 1 452.603 3.364 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1/C=C/C(=O)OC)CC2 ZINC001164713556 720132333 /nfs/dbraw/zinc/13/23/33/720132333.db2.gz RWTZJKFMZHVESV-NDEDVSTASA-N 1 1 450.583 3.479 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1/C=C\C(=O)OC)CC2 ZINC001164713557 720133432 /nfs/dbraw/zinc/13/34/32/720133432.db2.gz RWTZJKFMZHVESV-XBKFQHLESA-N 1 1 450.583 3.479 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164714780 720138414 /nfs/dbraw/zinc/13/84/14/720138414.db2.gz YZNXCLDODHIRJO-QGZVFWFLSA-N 1 1 484.988 3.300 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164713534 720141368 /nfs/dbraw/zinc/14/13/68/720141368.db2.gz RLSPDGIIHOWLOU-SFHVURJKSA-N 1 1 467.948 3.500 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815024 720148044 /nfs/dbraw/zinc/14/80/44/720148044.db2.gz GVTFJWVBAGFRNI-IQGLISFBSA-N 1 1 458.603 3.038 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]1)C2 ZINC001164817901 720157823 /nfs/dbraw/zinc/15/78/23/720157823.db2.gz QRARKMFCQGGJGA-SKCUWOTOSA-N 1 1 476.621 3.431 20 0 JGADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164715785 720157852 /nfs/dbraw/zinc/15/78/52/720157852.db2.gz WQMXUQQEPHDQRS-IBGZPJMESA-N 1 1 473.021 3.172 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@]34CCN(C)C4=O)CC2)nc1 ZINC001164716479 720161704 /nfs/dbraw/zinc/16/17/04/720161704.db2.gz ZRHPDSCIPOMKIN-AMGIVPHBSA-N 1 1 482.673 3.061 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@@]34CCN(C)C4=O)CC2)nc1 ZINC001164716481 720162193 /nfs/dbraw/zinc/16/21/93/720162193.db2.gz ZRHPDSCIPOMKIN-WXVAWEFUSA-N 1 1 482.673 3.061 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164815707 720168947 /nfs/dbraw/zinc/16/89/47/720168947.db2.gz IWTCCUCYMSJZPD-NFQMXDRXSA-N 1 1 497.709 3.197 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)C2 ZINC001164814265 720175880 /nfs/dbraw/zinc/17/58/80/720175880.db2.gz FKQSNYJWFMGCHD-AJTFRIOCSA-N 1 1 480.632 3.127 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164815591 720176935 /nfs/dbraw/zinc/17/69/35/720176935.db2.gz IKYSIIYHIHIYCI-HRAATJIYSA-N 1 1 463.007 3.024 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5cccs5)c43)C2)C1 ZINC001164720340 720230557 /nfs/dbraw/zinc/23/05/57/720230557.db2.gz YTXORPLOHGLPPM-JOCHJYFZSA-N 1 1 457.625 3.085 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5cccs5)c43)C2)C1 ZINC001164720340 720230568 /nfs/dbraw/zinc/23/05/68/720230568.db2.gz YTXORPLOHGLPPM-JOCHJYFZSA-N 1 1 457.625 3.085 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3cccnc3)nc3ccccc31)CCC2 ZINC001164813529 720235862 /nfs/dbraw/zinc/23/58/62/720235862.db2.gz PDPQLDYMNHPNQK-UHFFFAOYSA-N 1 1 455.566 3.499 20 0 JGADMO Cc1ccc(-c2nc3c(ncnc3N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)o2)cc1 ZINC001164814490 720238782 /nfs/dbraw/zinc/23/87/82/720238782.db2.gz VLOFPLXGTYKRDB-UHFFFAOYSA-N 1 1 459.554 3.400 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(OCc5ccccc5)ccc4n3)C2)C1 ZINC001164720646 720263281 /nfs/dbraw/zinc/26/32/81/720263281.db2.gz ZMPKWMBHYAHBFC-NDEPHWFRSA-N 1 1 474.605 3.479 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(OCc5ccccc5)ccc4n3)C2)C1 ZINC001164720646 720263294 /nfs/dbraw/zinc/26/32/94/720263294.db2.gz ZMPKWMBHYAHBFC-NDEPHWFRSA-N 1 1 474.605 3.479 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(F)cc4)nc4ccccc43)C2)C1 ZINC001164722709 720285109 /nfs/dbraw/zinc/28/51/09/720285109.db2.gz QRBVAKQDRXXHMF-SANMLTNESA-N 1 1 463.557 3.101 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(F)cc4)nc4ccccc43)C2)C1 ZINC001164722709 720285119 /nfs/dbraw/zinc/28/51/19/720285119.db2.gz QRBVAKQDRXXHMF-SANMLTNESA-N 1 1 463.557 3.101 20 0 JGADMO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735955 720439840 /nfs/dbraw/zinc/43/98/40/720439840.db2.gz ZXXONDPADWPJEG-LEWJYISDSA-N 1 1 476.650 3.260 20 0 JGADMO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735958 720439889 /nfs/dbraw/zinc/43/98/89/720439889.db2.gz ZXXONDPADWPJEG-SFTDATJTSA-N 1 1 476.650 3.260 20 0 JGADMO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735957 720440221 /nfs/dbraw/zinc/44/02/21/720440221.db2.gz ZXXONDPADWPJEG-RTWAWAEBSA-N 1 1 476.650 3.260 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)CC[C@@H]21 ZINC001164837139 720519342 /nfs/dbraw/zinc/51/93/42/720519342.db2.gz NVPNOIAREYEYIB-QYZOEREBSA-N 1 1 496.006 3.086 20 0 JGADMO Cc1cc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(N3CCOCC3)c2s1 ZINC001164839679 720563292 /nfs/dbraw/zinc/56/32/92/720563292.db2.gz RJVNEWKKMBAGKO-KCZVDYSFSA-N 1 1 481.670 3.411 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2s1 ZINC001164839545 720572291 /nfs/dbraw/zinc/57/22/91/720572291.db2.gz QMJBSQIBVMGBNT-JENIJYKNSA-N 1 1 454.600 3.442 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@@H]21 ZINC001164840627 720606801 /nfs/dbraw/zinc/60/68/01/720606801.db2.gz QCLNQUMAOQFLCC-KKUMJFAQSA-N 1 1 450.925 3.077 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844151 720606990 /nfs/dbraw/zinc/60/69/90/720606990.db2.gz ZCICWALFWVJHLE-SOUVJXGZSA-N 1 1 450.925 3.077 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164840762 720611880 /nfs/dbraw/zinc/61/18/80/720611880.db2.gz QPPRITFYDACQPO-VVSUKSJXSA-N 1 1 474.675 3.123 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164838257 720611935 /nfs/dbraw/zinc/61/19/35/720611935.db2.gz KJRAKAZYWIURQE-KCZVDYSFSA-N 1 1 474.675 3.123 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164840765 720612205 /nfs/dbraw/zinc/61/22/05/720612205.db2.gz QPPRITFYDACQPO-ZZLPTCMGSA-N 1 1 474.675 3.123 20 0 JGADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C(=O)OCC ZINC001164839179 720650569 /nfs/dbraw/zinc/65/05/69/720650569.db2.gz JCVYNYQNQVRDIV-IRFCIJBXSA-N 1 1 469.586 3.009 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1C(=O)OCC ZINC001164841809 720676447 /nfs/dbraw/zinc/67/64/47/720676447.db2.gz QJKVDHLSAZFVGY-FQEVSTJZSA-N 1 1 482.581 3.090 20 0 JGADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736910 720689241 /nfs/dbraw/zinc/68/92/41/720689241.db2.gz CFPGEZRCCULAMY-OCCSQVGLSA-N 1 1 483.306 3.493 20 0 JGADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736910 720689256 /nfs/dbraw/zinc/68/92/56/720689256.db2.gz CFPGEZRCCULAMY-OCCSQVGLSA-N 1 1 483.306 3.493 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740376 720726563 /nfs/dbraw/zinc/72/65/63/720726563.db2.gz KJWYFAUNPRHNHZ-IRXDYDNUSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740376 720726573 /nfs/dbraw/zinc/72/65/73/720726573.db2.gz KJWYFAUNPRHNHZ-IRXDYDNUSA-N 1 1 458.900 3.474 20 0 JGADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2C1 ZINC001164838923 720728878 /nfs/dbraw/zinc/72/88/78/720728878.db2.gz ZLGOWJVKEUJBNI-FYYLOGMGSA-N 1 1 464.610 3.405 20 0 JGADMO COc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164744796 720757443 /nfs/dbraw/zinc/75/74/43/720757443.db2.gz SSRFTOWOAFIGDU-IEBWSBKVSA-N 1 1 460.563 3.499 20 0 JGADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745281 720758405 /nfs/dbraw/zinc/75/84/05/720758405.db2.gz UVCIWAMMSANEGT-JKSUJKDBSA-N 1 1 453.930 3.197 20 0 JGADMO Cc1sc2nc(CN3CCCCC3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164745237 720762392 /nfs/dbraw/zinc/76/23/92/720762392.db2.gz UBXKVLACOPNOSD-WOJBJXKFSA-N 1 1 479.654 3.426 20 0 JGADMO Cc1sc2nc(CN3CCCCC3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164745232 720762956 /nfs/dbraw/zinc/76/29/56/720762956.db2.gz UBXKVLACOPNOSD-UXHICEINSA-N 1 1 479.654 3.426 20 0 JGADMO c1ncc(O[C@@H]2C[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)cn1 ZINC001164741851 720764725 /nfs/dbraw/zinc/76/47/25/720764725.db2.gz NDETZTPBLYZWCB-RBUKOAKNSA-N 1 1 491.665 3.298 20 0 JGADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740348 720766120 /nfs/dbraw/zinc/76/61/20/720766120.db2.gz KEHWNFSKLCENKD-IRXDYDNUSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740348 720766124 /nfs/dbraw/zinc/76/61/24/720766124.db2.gz KEHWNFSKLCENKD-IRXDYDNUSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740346 720767007 /nfs/dbraw/zinc/76/70/07/720767007.db2.gz KEHWNFSKLCENKD-DLBZAZTESA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740346 720767015 /nfs/dbraw/zinc/76/70/15/720767015.db2.gz KEHWNFSKLCENKD-DLBZAZTESA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744217 720783717 /nfs/dbraw/zinc/78/37/17/720783717.db2.gz RPERBOFTPSCWJM-ROUUACIJSA-N 1 1 458.900 3.474 20 0 JGADMO c1cnc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C3)n2)CCCC4)cn1 ZINC001164750333 720788544 /nfs/dbraw/zinc/78/85/44/720788544.db2.gz VDVROHJLHXZNIY-IAGOWNOFSA-N 1 1 486.605 3.159 20 0 JGADMO c1cnc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C3)n2)CCCC4)cn1 ZINC001164750339 720788600 /nfs/dbraw/zinc/78/86/00/720788600.db2.gz VDVROHJLHXZNIY-SJORKVTESA-N 1 1 486.605 3.159 20 0 JGADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164751962 720801651 /nfs/dbraw/zinc/80/16/51/720801651.db2.gz YHUMNXWYHVSPEH-UNMCSNQZSA-N 1 1 454.534 3.341 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@H]2COC[C@H]21)C1CCC1 ZINC001164849650 720803243 /nfs/dbraw/zinc/80/32/43/720803243.db2.gz SHBJJGTWZKHMBL-ZCNNSNEGSA-N 1 1 481.666 3.286 20 0 JGADMO COc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164749877 720805967 /nfs/dbraw/zinc/80/59/67/720805967.db2.gz URHASTAXLOGYCD-SJLPKXTDSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164749877 720805971 /nfs/dbraw/zinc/80/59/71/720805971.db2.gz URHASTAXLOGYCD-SJLPKXTDSA-N 1 1 488.926 3.482 20 0 JGADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742415 720812350 /nfs/dbraw/zinc/81/23/50/720812350.db2.gz CYGSETXYNXXADN-CMKODMSKSA-N 1 1 458.994 3.191 20 0 JGADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749250 720813838 /nfs/dbraw/zinc/81/38/38/720813838.db2.gz SOBMLDBQESAOFY-RBSFLKMASA-N 1 1 458.344 3.299 20 0 JGADMO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737714 720818402 /nfs/dbraw/zinc/81/84/02/720818402.db2.gz CGOCWWZDRGOPOP-IIAWOOMASA-N 1 1 458.344 3.299 20 0 JGADMO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737715 720818732 /nfs/dbraw/zinc/81/87/32/720818732.db2.gz CGOCWWZDRGOPOP-IJEWVQPXSA-N 1 1 458.344 3.299 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@@H]43)c2c1C ZINC001164846528 720821750 /nfs/dbraw/zinc/82/17/50/720821750.db2.gz FHBFXKKACLZVOG-GBESFXJTSA-N 1 1 471.627 3.194 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741845 720823912 /nfs/dbraw/zinc/82/39/12/720823912.db2.gz ONUXEDZTTINTPE-TXPKVOOTSA-N 1 1 480.947 3.037 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738813 720824073 /nfs/dbraw/zinc/82/40/73/720824073.db2.gz GUTTWMJUHCKTQA-SVFBPWRDSA-N 1 1 493.637 3.353 20 0 JGADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164743299 720827338 /nfs/dbraw/zinc/82/73/38/720827338.db2.gz RYKLEMKSYZACIV-JXALWOEJSA-N 1 1 460.582 3.382 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2cc1OC ZINC001164739655 720830117 /nfs/dbraw/zinc/83/01/17/720830117.db2.gz HZVQOKBQGXCRBS-FUHIMQAGSA-N 1 1 484.004 3.271 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750292 720833410 /nfs/dbraw/zinc/83/34/10/720833410.db2.gz XAWVAVUNKZDPSS-NLWGTHIKSA-N 1 1 458.994 3.191 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751101 720833986 /nfs/dbraw/zinc/83/39/86/720833986.db2.gz YMTVUADPQXOIQW-OKZBNKHCSA-N 1 1 480.947 3.037 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OCc5ccccc5)c(OC)cc43)CC[C@@H]2C1 ZINC001164857840 720841739 /nfs/dbraw/zinc/84/17/39/720841739.db2.gz YSMSZFOPHJYQCE-RLWLMLJZSA-N 1 1 478.593 3.391 20 0 JGADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742504 720842248 /nfs/dbraw/zinc/84/22/48/720842248.db2.gz HCKIXULFETXDSH-SZVBFZGTSA-N 1 1 474.947 3.194 20 0 JGADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164741327 720844202 /nfs/dbraw/zinc/84/42/02/720844202.db2.gz FAUSPHZIMXHICC-HLAWJBBLSA-N 1 1 453.591 3.400 20 0 JGADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164748678 720851729 /nfs/dbraw/zinc/85/17/29/720851729.db2.gz LPPOSNLJHQSHIA-FIXSFTCYSA-N 1 1 487.608 3.276 20 0 JGADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164751115 720855271 /nfs/dbraw/zinc/85/52/71/720855271.db2.gz QBMMKGBNAOVIAW-QHAWAJNXSA-N 1 1 465.005 3.471 20 0 JGADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164751113 720855550 /nfs/dbraw/zinc/85/55/50/720855550.db2.gz QBMMKGBNAOVIAW-PCCBWWKXSA-N 1 1 465.005 3.471 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164749467 720856087 /nfs/dbraw/zinc/85/60/87/720856087.db2.gz NGFMWHAUBXRJGK-SONWIMMPSA-N 1 1 488.640 3.093 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753547 720861804 /nfs/dbraw/zinc/86/18/04/720861804.db2.gz XSEMULMPGMCHED-BZUAXINKSA-N 1 1 495.003 3.342 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)c(F)cc3C(=O)NCc3cccs3)CC[C@@H]2C1 ZINC001164854022 720864456 /nfs/dbraw/zinc/86/44/56/720864456.db2.gz IEDJSGQUGOHMEV-BEFAXECRSA-N 1 1 483.009 3.039 20 0 JGADMO CCN(C)c1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747231 720867326 /nfs/dbraw/zinc/86/73/26/720867326.db2.gz ATIPPAMBYQUZHV-OZXSUGGESA-N 1 1 450.631 3.391 20 0 JGADMO CCN(C)c1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747231 720867328 /nfs/dbraw/zinc/86/73/28/720867328.db2.gz ATIPPAMBYQUZHV-OZXSUGGESA-N 1 1 450.631 3.391 20 0 JGADMO O=C(c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CCCC1 ZINC001164754321 720868916 /nfs/dbraw/zinc/86/89/16/720868916.db2.gz REMKPRDUGPMCEE-CUBQBAPOSA-N 1 1 475.637 3.468 20 0 JGADMO CN(C)c1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748403 720869496 /nfs/dbraw/zinc/86/94/96/720869496.db2.gz DQFWKCBZXFBIKG-RDPSFJRHSA-N 1 1 457.022 3.346 20 0 JGADMO Clc1nc2nc[nH]c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753962 720870271 /nfs/dbraw/zinc/87/02/71/720870271.db2.gz QOETXMIRSWBRBC-MBSDFSHPSA-N 1 1 453.978 3.156 20 0 JGADMO Clc1nc2nc[nH]c2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753955 720870413 /nfs/dbraw/zinc/87/04/13/720870413.db2.gz QOETXMIRSWBRBC-FDDCHVKYSA-N 1 1 453.978 3.156 20 0 JGADMO Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C(N)=O ZINC001164755207 720872448 /nfs/dbraw/zinc/87/24/48/720872448.db2.gz UZHXZMDEMOGMKA-CPJSRVTESA-N 1 1 470.017 3.292 20 0 JGADMO COC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1OC ZINC001164748522 720875957 /nfs/dbraw/zinc/87/59/57/720875957.db2.gz FRLILTVYJVVHIH-HFZDXXHNSA-N 1 1 466.582 3.027 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164859351 720876660 /nfs/dbraw/zinc/87/66/60/720876660.db2.gz MTRVIFDWTGYJAK-UYAOXDASSA-N 1 1 465.623 3.416 20 0 JGADMO CC(C)OC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164753973 720879084 /nfs/dbraw/zinc/87/90/84/720879084.db2.gz QPBHAOKTMHUIGU-BKMJKUGQSA-N 1 1 465.598 3.192 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752921 720880026 /nfs/dbraw/zinc/88/00/26/720880026.db2.gz NMBIQPQYXCWRSR-CPJSRVTESA-N 1 1 486.016 3.457 20 0 JGADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)COC2 ZINC001164753882 720881313 /nfs/dbraw/zinc/88/13/13/720881313.db2.gz QGKWJHQZNGZJBJ-DVECYGJZSA-N 1 1 455.990 3.310 20 0 JGADMO COC(=O)c1c[nH]c2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164751651 720881895 /nfs/dbraw/zinc/88/18/95/720881895.db2.gz DBGAXVLNIWRPTN-KDYSTLNUSA-N 1 1 475.593 3.500 20 0 JGADMO CN(C)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756594 720892308 /nfs/dbraw/zinc/89/23/08/720892308.db2.gz QSMDHVMEUKLFDO-YKSBVNFPSA-N 1 1 457.022 3.346 20 0 JGADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756039 720894694 /nfs/dbraw/zinc/89/46/94/720894694.db2.gz OFAVINSNFXRROZ-UZUQRXQVSA-N 1 1 491.423 3.032 20 0 JGADMO CC(C)c1nc(N(C)C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755032 720895759 /nfs/dbraw/zinc/89/57/59/720895759.db2.gz KJZVQVCQVGJKHZ-ATIYNZHBSA-N 1 1 465.646 3.211 20 0 JGADMO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cccc(N4CCOCC4)n2)C3)c1 ZINC001164749668 720899167 /nfs/dbraw/zinc/89/91/67/720899167.db2.gz ANVTXNYURRQCBT-SHQCIBLASA-N 1 1 463.626 3.068 20 0 JGADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cccc(N4CCOCC4)n2)C3)c1 ZINC001164749668 720899168 /nfs/dbraw/zinc/89/91/68/720899168.db2.gz ANVTXNYURRQCBT-SHQCIBLASA-N 1 1 463.626 3.068 20 0 JGADMO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cccc(N4CCOCC4)n2)C3)c1 ZINC001164749656 720899356 /nfs/dbraw/zinc/89/93/56/720899356.db2.gz ANVTXNYURRQCBT-RPLLCQBOSA-N 1 1 463.626 3.068 20 0 JGADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cccc(N4CCOCC4)n2)C3)c1 ZINC001164749656 720899359 /nfs/dbraw/zinc/89/93/59/720899359.db2.gz ANVTXNYURRQCBT-RPLLCQBOSA-N 1 1 463.626 3.068 20 0 JGADMO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749690 720907473 /nfs/dbraw/zinc/90/74/73/720907473.db2.gz IINUOTBVKPKVCQ-RDPSFJRHSA-N 1 1 491.057 3.289 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)nc1 ZINC001164855178 720913257 /nfs/dbraw/zinc/91/32/57/720913257.db2.gz HRJSDNMAGLHFNY-ADYITMSISA-N 1 1 453.587 3.278 20 0 JGADMO c1nc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1C1CC1 ZINC001164755193 720914920 /nfs/dbraw/zinc/91/49/20/720914920.db2.gz ZPFADBNCJLJFFW-QFQXNSOFSA-N 1 1 459.598 3.311 20 0 JGADMO CCOC(=O)c1cnc(CC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749862 720928604 /nfs/dbraw/zinc/92/86/04/720928604.db2.gz ILQFENHMJQIHQY-WXVAWEFUSA-N 1 1 479.625 3.366 20 0 JGADMO CN1CCc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2C1 ZINC001164753148 720932990 /nfs/dbraw/zinc/93/29/90/720932990.db2.gz QMZTYNWXRUNPLM-HFZDXXHNSA-N 1 1 483.060 3.268 20 0 JGADMO CCNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754617 720938136 /nfs/dbraw/zinc/93/81/36/720938136.db2.gz WHDYCZZEGYZBMU-CJFMBICVSA-N 1 1 485.032 3.030 20 0 JGADMO CCS(=O)(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755205 720940391 /nfs/dbraw/zinc/94/03/91/720940391.db2.gz ZTFKGPSHDUSYIL-WIOPSUGQSA-N 1 1 470.639 3.025 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3CO[C@@H](CNC(=O)N(C)C)[C@@H]3C2)n1 ZINC001164756095 720997022 /nfs/dbraw/zinc/99/70/22/720997022.db2.gz DYMRPNGHXTUJQU-QRVBRYPASA-N 1 1 474.675 3.262 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4CO[C@H](CNC(=O)N(C)C)[C@H]4C3)c2c1C ZINC001164758553 720997110 /nfs/dbraw/zinc/99/71/10/720997110.db2.gz WDNZMVUHFMHXJP-CEXWTWQISA-N 1 1 472.659 3.016 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4CO[C@@H](CNC(=O)N(C)C)[C@H]4C3)c2c1C ZINC001164758556 720997424 /nfs/dbraw/zinc/99/74/24/720997424.db2.gz WDNZMVUHFMHXJP-QYZOEREBSA-N 1 1 472.659 3.016 20 0 JGADMO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164756384 720997924 /nfs/dbraw/zinc/99/79/24/720997924.db2.gz HOCZZDKSJXOQKK-SXLOBPIMSA-N 1 1 498.697 3.278 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)[C@H]2C ZINC001164862383 721024682 /nfs/dbraw/zinc/02/46/82/721024682.db2.gz PZYXKRBAPSSBEU-ZDUSSCGKSA-N 1 1 461.966 3.301 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(-c4cnn(C)c4)nnn3C[C@@H]2COC)nc1 ZINC001164760356 721024974 /nfs/dbraw/zinc/02/49/74/721024974.db2.gz ONHTVDVUVOEYDO-NHCUHLMSSA-N 1 1 450.591 3.046 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)nc1 ZINC001164864411 721037465 /nfs/dbraw/zinc/03/74/65/721037465.db2.gz ZHFSHPPMLWBMDD-SHQCIBLASA-N 1 1 476.625 3.258 20 0 JGADMO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC001164762793 721038389 /nfs/dbraw/zinc/03/83/89/721038389.db2.gz ISCOAJLRIDBONL-PMACEKPBSA-N 1 1 491.665 3.393 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)nc1 ZINC001164862619 721038422 /nfs/dbraw/zinc/03/84/22/721038422.db2.gz MYCNBJBJXAXPOU-JOCHJYFZSA-N 1 1 450.587 3.211 20 0 JGADMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC001164762800 721038543 /nfs/dbraw/zinc/03/85/43/721038543.db2.gz ISCOAJLRIDBONL-UXHICEINSA-N 1 1 491.665 3.393 20 0 JGADMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164774610 721052185 /nfs/dbraw/zinc/05/21/85/721052185.db2.gz XHHUQBJAWDHBJD-DQEYMECFSA-N 1 1 454.578 3.118 20 0 JGADMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164774610 721052188 /nfs/dbraw/zinc/05/21/88/721052188.db2.gz XHHUQBJAWDHBJD-DQEYMECFSA-N 1 1 454.578 3.118 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1Cl ZINC001164867400 721065872 /nfs/dbraw/zinc/06/58/72/721065872.db2.gz ISOFVKITWBYQAF-JKSUJKDBSA-N 1 1 451.354 3.440 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1Cl ZINC001164867400 721065877 /nfs/dbraw/zinc/06/58/77/721065877.db2.gz ISOFVKITWBYQAF-JKSUJKDBSA-N 1 1 451.354 3.440 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1Cl ZINC001164867398 721065890 /nfs/dbraw/zinc/06/58/90/721065890.db2.gz ISOFVKITWBYQAF-HZPDHXFCSA-N 1 1 451.354 3.440 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1Cl ZINC001164867398 721065899 /nfs/dbraw/zinc/06/58/99/721065899.db2.gz ISOFVKITWBYQAF-HZPDHXFCSA-N 1 1 451.354 3.440 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866417 721082011 /nfs/dbraw/zinc/08/20/11/721082011.db2.gz TZWNZQDOWWZURN-ROUUACIJSA-N 1 1 467.957 3.335 20 0 JGADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164865575 721088620 /nfs/dbraw/zinc/08/86/20/721088620.db2.gz NDKRPLAKXWUCSU-GOTSBHOMSA-N 1 1 489.624 3.123 20 0 JGADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865541 721097249 /nfs/dbraw/zinc/09/72/49/721097249.db2.gz MMMDMNDMMGBNRZ-XZOQPEGZSA-N 1 1 458.541 3.493 20 0 JGADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865376 721110096 /nfs/dbraw/zinc/11/00/96/721110096.db2.gz KNAGHHRDQQYHBM-GMAHTHKFSA-N 1 1 493.633 3.213 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164768175 721112272 /nfs/dbraw/zinc/11/22/72/721112272.db2.gz NNWPYXCJOAWTRY-ROUUACIJSA-N 1 1 452.584 3.074 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164877576 721133910 /nfs/dbraw/zinc/13/39/10/721133910.db2.gz OQZOBKFOVHFARH-VWNXMTODSA-N 1 1 485.588 3.121 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164876506 721134235 /nfs/dbraw/zinc/13/42/35/721134235.db2.gz MVPRBLJXLBXEKF-RBUKOAKNSA-N 1 1 467.957 3.335 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164876509 721135312 /nfs/dbraw/zinc/13/53/12/721135312.db2.gz MVPRBLJXLBXEKF-RTBURBONSA-N 1 1 467.957 3.335 20 0 JGADMO O=C(c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164870961 721151130 /nfs/dbraw/zinc/15/11/30/721151130.db2.gz CTRLJVAJGAQINZ-LEWJYISDSA-N 1 1 455.990 3.236 20 0 JGADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@H+]3C2)c1 ZINC001164869773 721161181 /nfs/dbraw/zinc/16/11/81/721161181.db2.gz BIEZVDMSTUVEAV-YADHBBJMSA-N 1 1 459.550 3.180 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)NCCSCc4ccco4)C[C@@H]3C2)cn1 ZINC001164764276 721162235 /nfs/dbraw/zinc/16/22/35/721162235.db2.gz HNVHIENNECVAKV-SFTDATJTSA-N 1 1 480.638 3.030 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767543 721173923 /nfs/dbraw/zinc/17/39/23/721173923.db2.gz JZEWALRJPITIFY-RTBURBONSA-N 1 1 470.618 3.049 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164774470 721185624 /nfs/dbraw/zinc/18/56/24/721185624.db2.gz ZPUFIYIWQWRSJX-HZPDHXFCSA-N 1 1 453.921 3.148 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C[C@@H]3C2)cn1 ZINC001164774408 721189647 /nfs/dbraw/zinc/18/96/47/721189647.db2.gz YZRUTWSOKAIPGQ-ROUUACIJSA-N 1 1 459.932 3.429 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868410 721198089 /nfs/dbraw/zinc/19/80/89/721198089.db2.gz MRICSYYYBITVMV-CABCVRRESA-N 1 1 466.945 3.245 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)COC(=O)Nc4cccnc4Cl)C[C@H]3C2)cn1 ZINC001164766174 721236553 /nfs/dbraw/zinc/23/65/53/721236553.db2.gz SJLOAFDDZZLQLU-HZPDHXFCSA-N 1 1 454.909 3.064 20 0 JGADMO Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3C2)cn1 ZINC001164765500 721247727 /nfs/dbraw/zinc/24/77/27/721247727.db2.gz RPUNKQYSTRRVQJ-MOPGFXCFSA-N 1 1 462.976 3.348 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5OCCN(c6cnccn6)[C@H]5C4)c32)C1 ZINC001164765200 721264485 /nfs/dbraw/zinc/26/44/85/721264485.db2.gz JHAYCECJZUBCAQ-YZGWKJHDSA-N 1 1 491.665 3.296 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCCN4c3cnccn3)c2c1C ZINC001164768218 721264583 /nfs/dbraw/zinc/26/45/83/721264583.db2.gz TWLZDFASELCMHA-MOPGFXCFSA-N 1 1 465.627 3.178 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5OCCN(c6cnccn6)[C@H]5C3)n2)CCC4)CC1 ZINC001164763078 721264697 /nfs/dbraw/zinc/26/46/97/721264697.db2.gz BOSAKPMHUQSRKR-VQTJNVASSA-N 1 1 491.665 3.296 20 0 JGADMO Cc1nc(-c2ccccc2Cl)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1C ZINC001164879032 721288132 /nfs/dbraw/zinc/28/81/32/721288132.db2.gz UJKRDVGFGZJYLQ-UHFFFAOYSA-N 1 1 472.033 3.421 20 0 JGADMO CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc1 ZINC001164874907 721293191 /nfs/dbraw/zinc/29/31/91/721293191.db2.gz DZAYGGBBRDQEDQ-UHFFFAOYSA-N 1 1 488.032 3.492 20 0 JGADMO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164876634 721296900 /nfs/dbraw/zinc/29/69/00/721296900.db2.gz KOFJTOLGAYHHIL-BWKNWUBXSA-N 1 1 489.645 3.464 20 0 JGADMO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164876634 721296907 /nfs/dbraw/zinc/29/69/07/721296907.db2.gz KOFJTOLGAYHHIL-BWKNWUBXSA-N 1 1 489.645 3.464 20 0 JGADMO CCOC(=O)c1cnc(SC)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776650 721333342 /nfs/dbraw/zinc/33/33/42/721333342.db2.gz HLHOCHCCYADLBG-QHCPKHFHSA-N 1 1 475.615 3.099 20 0 JGADMO CCOC(=O)c1cnc(SC)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776650 721333347 /nfs/dbraw/zinc/33/33/47/721333347.db2.gz HLHOCHCCYADLBG-QHCPKHFHSA-N 1 1 475.615 3.099 20 0 JGADMO COC(=O)c1ccc2cnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164776677 721338823 /nfs/dbraw/zinc/33/88/23/721338823.db2.gz HSHRNHPUKSHIJV-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1ccc2cnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164776677 721338829 /nfs/dbraw/zinc/33/88/29/721338829.db2.gz HSHRNHPUKSHIJV-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccsc4c(N4CCOCC4)n3)C2)C1 ZINC001164778027 721339564 /nfs/dbraw/zinc/33/95/64/721339564.db2.gz SVECKOKPKKQAMC-VWLOTQADSA-N 1 1 498.653 3.252 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccsc4c(N4CCOCC4)n3)C2)C1 ZINC001164778027 721339569 /nfs/dbraw/zinc/33/95/69/721339569.db2.gz SVECKOKPKKQAMC-VWLOTQADSA-N 1 1 498.653 3.252 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C2)C1 ZINC001164778593 721339705 /nfs/dbraw/zinc/33/97/05/721339705.db2.gz NJKLWYGQBLKWFU-OAQYLSRUSA-N 1 1 484.979 3.465 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C2)C1 ZINC001164778593 721339710 /nfs/dbraw/zinc/33/97/10/721339710.db2.gz NJKLWYGQBLKWFU-OAQYLSRUSA-N 1 1 484.979 3.465 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(NC(=O)C(C)(C)C)nn3)C2)C1 ZINC001164776849 721349653 /nfs/dbraw/zinc/34/96/53/721349653.db2.gz DIMXATBGCIJPKD-XMMPIXPASA-N 1 1 456.591 3.185 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(NC(=O)C(C)(C)C)nn3)C2)C1 ZINC001164776849 721349659 /nfs/dbraw/zinc/34/96/59/721349659.db2.gz DIMXATBGCIJPKD-XMMPIXPASA-N 1 1 456.591 3.185 20 0 JGADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164782313 721355703 /nfs/dbraw/zinc/35/57/03/721355703.db2.gz NELAOWOJJMJNPU-HSZRJFAPSA-N 1 1 488.976 3.122 20 0 JGADMO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164780666 721361901 /nfs/dbraw/zinc/36/19/01/721361901.db2.gz GHPPQYPMJXTTLO-SANMLTNESA-N 1 1 469.630 3.280 20 0 JGADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164787850 721375553 /nfs/dbraw/zinc/37/55/53/721375553.db2.gz XUBQRPLIAGXNFM-CMJOXMDJSA-N 1 1 477.993 3.130 20 0 JGADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164787850 721375558 /nfs/dbraw/zinc/37/55/58/721375558.db2.gz XUBQRPLIAGXNFM-CMJOXMDJSA-N 1 1 477.993 3.130 20 0 JGADMO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C2)C1 ZINC001164784573 721375652 /nfs/dbraw/zinc/37/56/52/721375652.db2.gz QIEUAVZJOYTKAI-AREMUKBSSA-N 1 1 469.630 3.184 20 0 JGADMO COc1nnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779900 721375806 /nfs/dbraw/zinc/37/58/06/721375806.db2.gz DKMULBOCISSAPZ-HXUWFJFHSA-N 1 1 471.936 3.407 20 0 JGADMO COc1nnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779900 721375808 /nfs/dbraw/zinc/37/58/08/721375808.db2.gz DKMULBOCISSAPZ-HXUWFJFHSA-N 1 1 471.936 3.407 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C2)C1 ZINC001164780632 721376862 /nfs/dbraw/zinc/37/68/62/721376862.db2.gz HMNGORMXVGINMK-HXUWFJFHSA-N 1 1 456.921 3.242 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C2)C1 ZINC001164780632 721376866 /nfs/dbraw/zinc/37/68/66/721376866.db2.gz HMNGORMXVGINMK-HXUWFJFHSA-N 1 1 456.921 3.242 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893591 721387802 /nfs/dbraw/zinc/38/78/02/721387802.db2.gz VPBUBQJPVKUYKX-RDTXWAMCSA-N 1 1 450.361 3.094 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164889419 721402375 /nfs/dbraw/zinc/40/23/75/721402375.db2.gz QGKNMUHLESPEGH-XDHUDOTRSA-N 1 1 476.021 3.066 20 0 JGADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2ccccc21 ZINC001164887163 721409327 /nfs/dbraw/zinc/40/93/27/721409327.db2.gz LHASBZUCSYKWDN-FQRUVTKNSA-N 1 1 452.599 3.177 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C3)O2)CC1 ZINC001164891974 721417955 /nfs/dbraw/zinc/41/79/55/721417955.db2.gz XLHIEIOVNRWGEH-NTKDMRAZSA-N 1 1 464.054 3.029 20 0 JGADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164787222 721420158 /nfs/dbraw/zinc/42/01/58/721420158.db2.gz PRMJWLROMMMLSE-KIZNEFEJSA-N 1 1 469.611 3.277 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)[nH]c(C)c(C)c-2n1 ZINC001164888323 721420205 /nfs/dbraw/zinc/42/02/05/721420205.db2.gz OESQVLBDHCYARH-FQRUVTKNSA-N 1 1 469.630 3.122 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)[nH]c(C)c(C)c-2n1 ZINC001164888320 721420488 /nfs/dbraw/zinc/42/04/88/721420488.db2.gz OESQVLBDHCYARH-FNZWTVRRSA-N 1 1 469.630 3.122 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164789625 721423930 /nfs/dbraw/zinc/42/39/30/721423930.db2.gz VYHCIGHXJCCCRW-KDURUIRLSA-N 1 1 461.591 3.271 20 0 JGADMO COc1cccc(Oc2cncc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)c1 ZINC001164893116 721424357 /nfs/dbraw/zinc/42/43/57/721424357.db2.gz JALKFZWVUNUHNJ-RDGATRHJSA-N 1 1 453.587 3.043 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164896231 721426174 /nfs/dbraw/zinc/42/61/74/721426174.db2.gz RGNUJAAVEBIGSI-PGRDOPGGSA-N 1 1 481.975 3.473 20 0 JGADMO c1csc(C[N@@H+]2C[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164786334 721426704 /nfs/dbraw/zinc/42/67/04/721426704.db2.gz OMDIAALMGKXCAR-CALCHBBNSA-N 1 1 482.679 3.037 20 0 JGADMO c1csc(C[N@H+]2C[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164786334 721426706 /nfs/dbraw/zinc/42/67/06/721426706.db2.gz OMDIAALMGKXCAR-CALCHBBNSA-N 1 1 482.679 3.037 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5ccn(C(=O)c6ccccc6)c5n4)C3)O2)CC1 ZINC001164893779 721429592 /nfs/dbraw/zinc/42/95/92/721429592.db2.gz KKGPOLJFAZANKD-UFHPHHKVSA-N 1 1 473.621 3.490 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4C(=O)N4CCc5ccccc54)C3)O2)CC1 ZINC001164893150 721433101 /nfs/dbraw/zinc/43/31/01/721433101.db2.gz JJBLNPKCCBKQSL-NEKDWFFYSA-N 1 1 475.637 3.050 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164899268 721433350 /nfs/dbraw/zinc/43/33/50/721433350.db2.gz YCYOPHHXWCCVTG-UQBPGWFLSA-N 1 1 487.670 3.250 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccn5)nc5ccccc54)C3)O2)CC1 ZINC001164893159 721434258 /nfs/dbraw/zinc/43/42/58/721434258.db2.gz JKOBSZFMNMMPKB-ZBLYBZFDSA-N 1 1 458.610 3.457 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)O2)CC1 ZINC001164898322 721436342 /nfs/dbraw/zinc/43/63/42/721436342.db2.gz VQOFZPKNOKWORI-UWJYYQICSA-N 1 1 455.981 3.318 20 0 JGADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)o2)cc1 ZINC001164892995 721437046 /nfs/dbraw/zinc/43/70/46/721437046.db2.gz INJBQLBSJLKOJS-QFQXNSOFSA-N 1 1 462.598 3.359 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C3)O2)CC1 ZINC001164889142 721446981 /nfs/dbraw/zinc/44/69/81/721446981.db2.gz NWBPIMQGECJUME-UWJYYQICSA-N 1 1 487.979 3.137 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3ccc(C(=O)OC)cc3n1)CC2 ZINC001164789431 721452747 /nfs/dbraw/zinc/45/27/47/721452747.db2.gz WBPNVJFDSDROPG-JOCHJYFZSA-N 1 1 468.598 3.150 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164788666 721453162 /nfs/dbraw/zinc/45/31/62/721453162.db2.gz SFNOFWDZYZWWLN-GOSISDBHSA-N 1 1 488.023 3.475 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C3)O2)CC1 ZINC001164885995 721454169 /nfs/dbraw/zinc/45/41/69/721454169.db2.gz GBWYNZJDFQCWAO-QRWLVFNGSA-N 1 1 487.020 3.136 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@@H]32)n1 ZINC001164886674 721458910 /nfs/dbraw/zinc/45/89/10/721458910.db2.gz IFNUUSXCXKGHHF-GBESFXJTSA-N 1 1 457.644 3.412 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3cnccc3cc1C(=O)OC)CC2 ZINC001164788487 721461242 /nfs/dbraw/zinc/46/12/42/721461242.db2.gz SWGJRRXTJJHYJQ-OAQYLSRUSA-N 1 1 468.598 3.150 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(=O)OC)ccc1Cl)CC2 ZINC001164784647 721461345 /nfs/dbraw/zinc/46/13/45/721461345.db2.gz JCRLUFNRKXUQHP-GOSISDBHSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(=O)OC)ccc1Cl)CC2 ZINC001164784649 721461380 /nfs/dbraw/zinc/46/13/80/721461380.db2.gz JCRLUFNRKXUQHP-SFHVURJKSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(OC)cc(OC)c31)CC2 ZINC001164782735 721461438 /nfs/dbraw/zinc/46/14/38/721461438.db2.gz BGBDZOGQSOKBPU-FQEVSTJZSA-N 1 1 470.614 3.381 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164790034 721463730 /nfs/dbraw/zinc/46/37/30/721463730.db2.gz ZCWKYAMEBOVWMS-FQEVSTJZSA-N 1 1 455.578 3.412 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788517 721464475 /nfs/dbraw/zinc/46/44/75/721464475.db2.gz TVHQCUILIGTDIH-SFHVURJKSA-N 1 1 467.010 3.041 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(SCC(=O)OC)n1)CC2 ZINC001164782849 721464773 /nfs/dbraw/zinc/46/47/73/721464773.db2.gz CZLRHFMAPVNTRB-HXUWFJFHSA-N 1 1 463.644 3.081 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164783886 721465038 /nfs/dbraw/zinc/46/50/38/721465038.db2.gz GHELHNUIXFDTQN-KRWDZBQOSA-N 1 1 486.991 3.113 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164790661 721465264 /nfs/dbraw/zinc/46/52/64/721465264.db2.gz TYPUWIXNCINMNJ-QGZVFWFLSA-N 1 1 492.020 3.132 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164788252 721467309 /nfs/dbraw/zinc/46/73/09/721467309.db2.gz IVDABAAOQDFHTF-MRXNPFEDSA-N 1 1 484.979 3.237 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164791252 721473227 /nfs/dbraw/zinc/47/32/27/721473227.db2.gz VZVSTXWRPYRJEZ-FQEVSTJZSA-N 1 1 470.614 3.381 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@@H]4C3)c2c1C ZINC001164791899 721482063 /nfs/dbraw/zinc/48/20/63/721482063.db2.gz KLOOMJUKQCBGCG-AABGKKOBSA-N 1 1 485.654 3.299 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1C(=O)OCC ZINC001164791304 721492623 /nfs/dbraw/zinc/49/26/23/721492623.db2.gz ADAIQWUHVMHORM-UHFFFAOYSA-N 1 1 467.570 3.106 20 0 JGADMO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164898684 721500898 /nfs/dbraw/zinc/50/08/98/721500898.db2.gz TUBRFDQJFZMUIR-XMMPIXPASA-N 1 1 463.626 3.183 20 0 JGADMO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164898684 721500904 /nfs/dbraw/zinc/50/09/04/721500904.db2.gz TUBRFDQJFZMUIR-XMMPIXPASA-N 1 1 463.626 3.183 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164811192 721550596 /nfs/dbraw/zinc/55/05/96/721550596.db2.gz ZIPJCPPZFYJAGW-ZWOKBUDYSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164811192 721550598 /nfs/dbraw/zinc/55/05/98/721550598.db2.gz ZIPJCPPZFYJAGW-ZWOKBUDYSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164805259 721550602 /nfs/dbraw/zinc/55/06/02/721550602.db2.gz LJZHOJZERBHIEJ-QYZOEREBSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164805259 721550604 /nfs/dbraw/zinc/55/06/04/721550604.db2.gz LJZHOJZERBHIEJ-QYZOEREBSA-N 1 1 466.916 3.330 20 0 JGADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164911561 721550767 /nfs/dbraw/zinc/55/07/67/721550767.db2.gz XJPOSWYGVKNYJH-RBBKRZOGSA-N 1 1 493.564 3.149 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805626 721553109 /nfs/dbraw/zinc/55/31/09/721553109.db2.gz OAQJPJZXRSVIRW-SOLBZPMBSA-N 1 1 478.018 3.292 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805626 721553113 /nfs/dbraw/zinc/55/31/13/721553113.db2.gz OAQJPJZXRSVIRW-SOLBZPMBSA-N 1 1 478.018 3.292 20 0 JGADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)CC[N@H+]3C2)c1 ZINC001164911033 721557121 /nfs/dbraw/zinc/55/71/21/721557121.db2.gz YEDTXYJTPNFEAG-GGAORHGYSA-N 1 1 492.574 3.423 20 0 JGADMO O=C(Nc1nncs1)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164911458 721557941 /nfs/dbraw/zinc/55/79/41/721557941.db2.gz ZETZLMZTAZVHSI-RDJZCZTQSA-N 1 1 474.949 3.320 20 0 JGADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC[N@H+]3C2)c1 ZINC001164911901 721559838 /nfs/dbraw/zinc/55/98/38/721559838.db2.gz ZZGVWGOIICYNHC-NOZRDPDXSA-N 1 1 474.584 3.284 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807259 721560487 /nfs/dbraw/zinc/56/04/87/721560487.db2.gz SAMIQAYITQMSRO-RVKKMQEKSA-N 1 1 466.369 3.223 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807259 721560489 /nfs/dbraw/zinc/56/04/89/721560489.db2.gz SAMIQAYITQMSRO-RVKKMQEKSA-N 1 1 466.369 3.223 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3Cc2ccccc2F)[C@H]2CCCO[C@H]12 ZINC001164808106 721563152 /nfs/dbraw/zinc/56/31/52/721563152.db2.gz UNRZFQXEFCWMPJ-ZDXQCDESSA-N 1 1 473.556 3.277 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3Cc2ccccc2F)[C@H]2CCCO[C@H]12 ZINC001164808106 721563155 /nfs/dbraw/zinc/56/31/55/721563155.db2.gz UNRZFQXEFCWMPJ-ZDXQCDESSA-N 1 1 473.556 3.277 20 0 JGADMO Cc1cc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc(N3CCOCC3)c2s1 ZINC001164804012 721563509 /nfs/dbraw/zinc/56/35/09/721563509.db2.gz KRCKQAGJKVKYJL-BHIFYINESA-N 1 1 480.638 3.100 20 0 JGADMO Cc1cc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc(N3CCOCC3)c2s1 ZINC001164804012 721563511 /nfs/dbraw/zinc/56/35/11/721563511.db2.gz KRCKQAGJKVKYJL-BHIFYINESA-N 1 1 480.638 3.100 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164803086 721571924 /nfs/dbraw/zinc/57/19/24/721571924.db2.gz JIGXFMYGNGESSO-QWFCFKBJSA-N 1 1 460.916 3.486 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164803086 721571927 /nfs/dbraw/zinc/57/19/27/721571927.db2.gz JIGXFMYGNGESSO-QWFCFKBJSA-N 1 1 460.916 3.486 20 0 JGADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@@H]2C1=O ZINC001164901155 721575548 /nfs/dbraw/zinc/57/55/48/721575548.db2.gz CQTHLSVSWGNLNW-GGPKGHCWSA-N 1 1 483.682 3.343 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164803405 721578472 /nfs/dbraw/zinc/57/84/72/721578472.db2.gz HZAQTQCLKVDOGK-SKVJQKLOSA-N 1 1 485.636 3.066 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)[C@H]2CCCO[C@H]12 ZINC001164806817 721579200 /nfs/dbraw/zinc/57/92/00/721579200.db2.gz NAQBTBMEAJGRAT-VRUMLPLGSA-N 1 1 459.550 3.178 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)[C@H]2CCCO[C@H]12 ZINC001164806817 721579207 /nfs/dbraw/zinc/57/92/07/721579207.db2.gz NAQBTBMEAJGRAT-VRUMLPLGSA-N 1 1 459.550 3.178 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](COCC(=O)N3CCCC3)C2)nc1 ZINC001164904508 721582255 /nfs/dbraw/zinc/58/22/55/721582255.db2.gz QVJJBVUFBHUAHU-LADGPHEKSA-N 1 1 480.657 3.491 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799288 721582391 /nfs/dbraw/zinc/58/23/91/721582391.db2.gz AQDXCLZCDGXAMT-GUDVDZBRSA-N 1 1 486.001 3.102 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799288 721582393 /nfs/dbraw/zinc/58/23/93/721582393.db2.gz AQDXCLZCDGXAMT-GUDVDZBRSA-N 1 1 486.001 3.102 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@](F)(COc2cncc(Cl)n2)C(F)F)[C@H]2CCCO[C@H]12 ZINC001164811846 721582792 /nfs/dbraw/zinc/58/27/92/721582792.db2.gz YMDLWGVMJLVXQX-JRYVEOFUSA-N 1 1 471.911 3.199 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@](F)(COc2cncc(Cl)n2)C(F)F)[C@H]2CCCO[C@H]12 ZINC001164811846 721582796 /nfs/dbraw/zinc/58/27/96/721582796.db2.gz YMDLWGVMJLVXQX-JRYVEOFUSA-N 1 1 471.911 3.199 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c1 ZINC001164808090 721584619 /nfs/dbraw/zinc/58/46/19/721584619.db2.gz PVLHMJZLKVAFQG-JCYRPKCISA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c1 ZINC001164808090 721584621 /nfs/dbraw/zinc/58/46/21/721584621.db2.gz PVLHMJZLKVAFQG-JCYRPKCISA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c(OC)c1OC ZINC001164805082 721586806 /nfs/dbraw/zinc/58/68/06/721586806.db2.gz KOVHRRGUCLKTIH-MCEYFSPLSA-N 1 1 491.592 3.433 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c(OC)c1OC ZINC001164805082 721586808 /nfs/dbraw/zinc/58/68/08/721586808.db2.gz KOVHRRGUCLKTIH-MCEYFSPLSA-N 1 1 491.592 3.433 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@H]32)n1 ZINC001164803550 721596627 /nfs/dbraw/zinc/59/66/27/721596627.db2.gz WUHRNXCZDDMMBR-HKBOAZHASA-N 1 1 493.633 3.015 20 0 JGADMO Cc1cccc(CN2CCO[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[C@@H]3C2=O)n1 ZINC001164798279 721602650 /nfs/dbraw/zinc/60/26/50/721602650.db2.gz FKSWVQTYLREWHJ-FCHUYYIVSA-N 1 1 470.017 3.288 20 0 JGADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904799 721707224 /nfs/dbraw/zinc/70/72/24/721707224.db2.gz DELPHNNUXFXFED-OAQYLSRUSA-N 1 1 465.932 3.368 20 0 JGADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908087 721709738 /nfs/dbraw/zinc/70/97/38/721709738.db2.gz VJUMPMDBYDEFCX-SFHVURJKSA-N 1 1 457.312 3.015 20 0 JGADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908086 721710358 /nfs/dbraw/zinc/71/03/58/721710358.db2.gz VJUMPMDBYDEFCX-GOSISDBHSA-N 1 1 457.312 3.015 20 0 JGADMO COc1ccc2nc(C(F)(F)N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc(Cl)c2c1 ZINC001165010452 721746343 /nfs/dbraw/zinc/74/63/43/721746343.db2.gz MOXRUMPSRFTBNS-UHFFFAOYSA-N 1 1 467.948 3.360 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cnn(C)c3)[C@@H]3OCCC[C@@H]32)n1 ZINC001165013834 721757915 /nfs/dbraw/zinc/75/79/15/721757915.db2.gz SYWQMPLZTJNPAX-IPJJNNNSSA-N 1 1 497.669 3.050 20 0 JGADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)C1 ZINC001164911826 721762292 /nfs/dbraw/zinc/76/22/92/721762292.db2.gz SJKRQSGOECSSGQ-HXUWFJFHSA-N 1 1 490.608 3.439 20 0 JGADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)C1 ZINC001164911826 721762295 /nfs/dbraw/zinc/76/22/95/721762295.db2.gz SJKRQSGOECSSGQ-HXUWFJFHSA-N 1 1 490.608 3.439 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)C2 ZINC001164909654 721765585 /nfs/dbraw/zinc/76/55/85/721765585.db2.gz FDRQSJKSFHYXNQ-IBGZPJMESA-N 1 1 455.946 3.480 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)C2 ZINC001164909654 721765587 /nfs/dbraw/zinc/76/55/87/721765587.db2.gz FDRQSJKSFHYXNQ-IBGZPJMESA-N 1 1 455.946 3.480 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)c2c1C ZINC001165023761 721777080 /nfs/dbraw/zinc/77/70/80/721777080.db2.gz UUPMYYNGQGDTKM-RXFWQSSRSA-N 1 1 499.681 3.138 20 0 JGADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@]5(C4)COCCN(Cc4cccnc4)C5)ccc3C2)cc1 ZINC001164913333 721777290 /nfs/dbraw/zinc/77/72/90/721777290.db2.gz WWZSQYBHUVQMBN-LJAQVGFWSA-N 1 1 485.632 3.143 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)c2c1C ZINC001165023758 721777268 /nfs/dbraw/zinc/77/72/68/721777268.db2.gz UUPMYYNGQGDTKM-FNZWTVRRSA-N 1 1 499.681 3.138 20 0 JGADMO COc1ccc2c(c1)nc(Cl)cc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915232 721782338 /nfs/dbraw/zinc/78/23/38/721782338.db2.gz KORXDZIWXVFVJX-DEOSSOPVSA-N 1 1 454.958 3.400 20 0 JGADMO COc1ccc2c(c1)nc(Cl)cc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915232 721782342 /nfs/dbraw/zinc/78/23/42/721782342.db2.gz KORXDZIWXVFVJX-DEOSSOPVSA-N 1 1 454.958 3.400 20 0 JGADMO Clc1ccc2c(c1)nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916274 721782419 /nfs/dbraw/zinc/78/24/19/721782419.db2.gz PHTHIYFFPZFCQI-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2c(c1)nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916274 721782420 /nfs/dbraw/zinc/78/24/20/721782420.db2.gz PHTHIYFFPZFCQI-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915607 721792426 /nfs/dbraw/zinc/79/24/26/721792426.db2.gz LVTCHFWNICOJAY-QHCPKHFHSA-N 1 1 456.978 3.168 20 0 JGADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915607 721792431 /nfs/dbraw/zinc/79/24/31/721792431.db2.gz LVTCHFWNICOJAY-QHCPKHFHSA-N 1 1 456.978 3.168 20 0 JGADMO c1ccc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)nc1 ZINC001164914169 721793740 /nfs/dbraw/zinc/79/37/40/721793740.db2.gz KITZYPDOGFQPFL-MHZLTWQESA-N 1 1 468.561 3.195 20 0 JGADMO c1ccc(-c2nc3ccccc3c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)nc1 ZINC001164914169 721793742 /nfs/dbraw/zinc/79/37/42/721793742.db2.gz KITZYPDOGFQPFL-MHZLTWQESA-N 1 1 468.561 3.195 20 0 JGADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]32)cc1 ZINC001165024364 721794977 /nfs/dbraw/zinc/79/49/77/721794977.db2.gz SJIVRPRFCUWDDK-KAYWLYCHSA-N 1 1 484.600 3.265 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018768 721816684 /nfs/dbraw/zinc/81/66/84/721816684.db2.gz AAFHBZRDXVJIKE-UHOSZYNNSA-N 1 1 484.004 3.175 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@@H]21 ZINC001165030156 721824036 /nfs/dbraw/zinc/82/40/36/721824036.db2.gz YBQVNARXBURQSO-FGCOXFRFSA-N 1 1 469.655 3.388 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)N4CCOCC4)cc3Cl)C[C@@H]21 ZINC001165024623 721825382 /nfs/dbraw/zinc/82/53/82/721825382.db2.gz KTZQKDQDLMZYAU-RZFNWQHOSA-N 1 1 470.017 3.339 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)C2)cc1 ZINC001164925710 721838825 /nfs/dbraw/zinc/83/88/25/721838825.db2.gz POHBXEKFVXOZKD-AJTFRIOCSA-N 1 1 457.578 3.100 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)C2)cc1 ZINC001164925710 721838826 /nfs/dbraw/zinc/83/88/26/721838826.db2.gz POHBXEKFVXOZKD-AJTFRIOCSA-N 1 1 457.578 3.100 20 0 JGADMO Cn1ccc(CN2CCOCC23CCN(c2[nH+]cnc4c2ccn4Cc2ccccc2)CC3)n1 ZINC001164936559 721906012 /nfs/dbraw/zinc/90/60/12/721906012.db2.gz QORCNHWDTHBMRY-UHFFFAOYSA-N 1 1 457.582 3.085 20 0 JGADMO O=C(CO[C@H]1CO[C@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164938381 721916983 /nfs/dbraw/zinc/91/69/83/721916983.db2.gz MRYHPPJSVDWKMA-UFHPHHKVSA-N 1 1 476.621 3.017 20 0 JGADMO O=C(CO[C@H]1CO[C@@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164938382 721917054 /nfs/dbraw/zinc/91/70/54/721917054.db2.gz MRYHPPJSVDWKMA-YWEHKCAJSA-N 1 1 476.621 3.017 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[C@H](OCC(=O)N4CCCC4)CO3)C2)nc1 ZINC001164939194 721919491 /nfs/dbraw/zinc/91/94/91/721919491.db2.gz SOQDRZHEVYXQNH-ZEVJAHDQSA-N 1 1 456.631 3.395 20 0 JGADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044295 721958292 /nfs/dbraw/zinc/95/82/92/721958292.db2.gz HQRZHQSCSWONGR-ACCUITESSA-N 1 1 466.582 3.453 20 0 JGADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044298 721958358 /nfs/dbraw/zinc/95/83/58/721958358.db2.gz HQRZHQSCSWONGR-QBFSEMIESA-N 1 1 466.582 3.453 20 0 JGADMO O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165049905 721980676 /nfs/dbraw/zinc/98/06/76/721980676.db2.gz NWWWBASYYUUGOP-AREMUKBSSA-N 1 1 470.573 3.129 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]4CN(S(C)(=O)=O)C[C@H]43)c2c1C ZINC001164950167 721984964 /nfs/dbraw/zinc/98/49/64/721984964.db2.gz IZMOPBHQVBINOZ-QZTJIDSGSA-N 1 1 463.673 3.154 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@@H]5CN(S(C)(=O)=O)C[C@H]53)n2)CCC4)CC1 ZINC001164952838 721984987 /nfs/dbraw/zinc/98/49/87/721984987.db2.gz PSYCUMGTYSPARK-IEBWSBKVSA-N 1 1 489.711 3.272 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CCCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)[C@@H]2C1 ZINC001164946886 721985572 /nfs/dbraw/zinc/98/55/72/721985572.db2.gz BCINKUOMHPPNKH-SJLPKXTDSA-N 1 1 475.684 3.026 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)n1 ZINC001164952375 721986016 /nfs/dbraw/zinc/98/60/16/721986016.db2.gz OZIUIWNJCQDKSF-MJGOQNOKSA-N 1 1 471.652 3.280 20 0 JGADMO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164956046 722022119 /nfs/dbraw/zinc/02/21/19/722022119.db2.gz VECQQAGZGNDYNV-UHFFFAOYSA-N 1 1 457.644 3.294 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3cnn(C)c3)C2)nc1 ZINC001164957520 722032051 /nfs/dbraw/zinc/03/20/51/722032051.db2.gz MQJVDJCMOZELJU-YCAMKHIRSA-N 1 1 466.630 3.023 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)n1 ZINC001164958824 722037572 /nfs/dbraw/zinc/03/75/72/722037572.db2.gz DMEBVOCNMMYDJN-WSTZPKSXSA-N 1 1 482.654 3.122 20 0 JGADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164960460 722052810 /nfs/dbraw/zinc/05/28/10/722052810.db2.gz OKCSUBMUXPOTHM-UHFFFAOYSA-N 1 1 461.566 3.321 20 0 JGADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964504 722057312 /nfs/dbraw/zinc/05/73/12/722057312.db2.gz VFVVCEUIKCLJBN-UHFFFAOYSA-N 1 1 493.439 3.134 20 0 JGADMO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)no1 ZINC001164963303 722059485 /nfs/dbraw/zinc/05/94/85/722059485.db2.gz WGFHEIUHSLYIFJ-UHFFFAOYSA-N 1 1 462.554 3.144 20 0 JGADMO CN(C)c1cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(Cl)n1 ZINC001164965142 722062085 /nfs/dbraw/zinc/06/20/85/722062085.db2.gz IWWIOYFHXQRYIO-UHFFFAOYSA-N 1 1 466.964 3.255 20 0 JGADMO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164970287 722080249 /nfs/dbraw/zinc/08/02/49/722080249.db2.gz PPVANAAYVSPMOH-KLJDGLGGSA-N 1 1 470.621 3.352 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5CN(c6cnn(C)c6)C(=O)[C@@H]5C4)c23)C1 ZINC001164980123 722095666 /nfs/dbraw/zinc/09/56/66/722095666.db2.gz LMTGLYNREIKZDL-FUHIMQAGSA-N 1 1 491.665 3.245 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1)N1CCCCC1 ZINC001164980782 722105695 /nfs/dbraw/zinc/10/56/95/722105695.db2.gz KJRMVHCKWYVBPW-UNMCSNQZSA-N 1 1 470.017 3.483 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164971013 722113553 /nfs/dbraw/zinc/11/35/53/722113553.db2.gz BBTXJQSFLSRJRE-APWZRJJASA-N 1 1 466.916 3.189 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)OCC ZINC001164975101 722118171 /nfs/dbraw/zinc/11/81/71/722118171.db2.gz JKWWYCRERSEOAW-PZJWPPBQSA-N 1 1 476.021 3.194 20 0 JGADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972529 722125246 /nfs/dbraw/zinc/12/52/46/722125246.db2.gz FXOVSRGDDUAQBC-UYAOXDASSA-N 1 1 458.006 3.386 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[C@@H]3C2)c1 ZINC001164982167 722127555 /nfs/dbraw/zinc/12/75/55/722127555.db2.gz WCYNAYOPFYIXIJ-RDGATRHJSA-N 1 1 486.624 3.046 20 0 JGADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981977 722127594 /nfs/dbraw/zinc/12/75/94/722127594.db2.gz VLCAXKZHIJHRKY-SJLPKXTDSA-N 1 1 460.916 3.345 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164983805 722137594 /nfs/dbraw/zinc/13/75/94/722137594.db2.gz VDEXBHQBJVWPRH-WNCULLNHSA-N 1 1 499.615 3.369 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1)C1CC1 ZINC001164976997 722137779 /nfs/dbraw/zinc/13/77/79/722137779.db2.gz HMTABNCLNUXICZ-TZRRMPRUSA-N 1 1 450.583 3.261 20 0 JGADMO O=C(c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164975108 722143764 /nfs/dbraw/zinc/14/37/64/722143764.db2.gz DVQHDCKLTIEBQS-REWPJTCUSA-N 1 1 470.017 3.483 20 0 JGADMO O=C(c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164975106 722143938 /nfs/dbraw/zinc/14/39/38/722143938.db2.gz DVQHDCKLTIEBQS-OFNKIYASSA-N 1 1 470.017 3.483 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@H]3C2)c1 ZINC001164983820 722147445 /nfs/dbraw/zinc/14/74/45/722147445.db2.gz VJZWYBBLMAVRBY-BKMJKUGQSA-N 1 1 473.577 3.427 20 0 JGADMO Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164981590 722150821 /nfs/dbraw/zinc/15/08/21/722150821.db2.gz PJSQPKDUDRQXRV-PKTZIBPZSA-N 1 1 458.566 3.160 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972457 722153994 /nfs/dbraw/zinc/15/39/94/722153994.db2.gz HVPGDTJXFDXWOA-MJGOQNOKSA-N 1 1 481.931 3.494 20 0 JGADMO CC1(C)NC(=O)N(Cc2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)C1=O ZINC001164995993 722209247 /nfs/dbraw/zinc/20/92/47/722209247.db2.gz RFMLEGGODLNBEN-RUZDIDTESA-N 1 1 451.546 3.296 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001164999326 722218823 /nfs/dbraw/zinc/21/88/23/722218823.db2.gz QTYHMIAOGVVKMR-JYFHCDHNSA-N 1 1 462.598 3.455 20 0 JGADMO COCCO[C@@H]1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]1Cc1cnn(C)c1 ZINC001164997432 722223032 /nfs/dbraw/zinc/22/30/32/722223032.db2.gz DPAIJLPBHLHSGJ-CLJLJLNGSA-N 1 1 461.610 3.226 20 0 JGADMO COCCO[C@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)[C@@H]1Cc1cnn(C)c1 ZINC001164999381 722224579 /nfs/dbraw/zinc/22/45/79/722224579.db2.gz MJRNTZAPKQHWST-RTWAWAEBSA-N 1 1 484.670 3.490 20 0 JGADMO CCN(CC)c1ccnc([C@H]2COCCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164998730 722226546 /nfs/dbraw/zinc/22/65/46/722226546.db2.gz DZZCHZVYPCFPFJ-HSZRJFAPSA-N 1 1 459.598 3.249 20 0 JGADMO CCN(CC)c1ccnc([C@H]2COCCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164998730 722226548 /nfs/dbraw/zinc/22/65/48/722226548.db2.gz DZZCHZVYPCFPFJ-HSZRJFAPSA-N 1 1 459.598 3.249 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C(=O)Nc4cccc(Cl)c4)cn2)CC3)CC1 ZINC001165001492 722237803 /nfs/dbraw/zinc/23/78/03/722237803.db2.gz HDLLRAVBFMWYBO-UHFFFAOYSA-N 1 1 478.000 3.134 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4cccc5ccccc54)nn2)CC3)CC1 ZINC001165002756 722238497 /nfs/dbraw/zinc/23/84/97/722238497.db2.gz YIZWOYASKBMONH-UHFFFAOYSA-N 1 1 451.578 3.444 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(-c4nc(-c5cccs5)no4)ccn2)CC3)CC1 ZINC001165002609 722238562 /nfs/dbraw/zinc/23/85/62/722238562.db2.gz WAWDDBLSVCJVSL-UHFFFAOYSA-N 1 1 474.594 3.007 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN([C@H](F)Oc2cccc(-c4ccc(Cl)nn4)c2)CC3)CC1 ZINC001165002222 722238726 /nfs/dbraw/zinc/23/87/26/722238726.db2.gz RGGMXHVIGZJZQT-DEOSSOPVSA-N 1 1 483.979 3.072 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccc(Cl)s4)nc4c2CCC4)CC3)CC1 ZINC001165001804 722238737 /nfs/dbraw/zinc/23/87/37/722238737.db2.gz MAXGKPINAAYTQG-UHFFFAOYSA-N 1 1 482.057 3.494 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cccc(-c4ccc(Cl)nn4)c2)CC3)CC1 ZINC001165001245 722238771 /nfs/dbraw/zinc/23/87/71/722238771.db2.gz FPXCGRIVHICYBH-UHFFFAOYSA-N 1 1 485.970 3.489 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cnc(Cl)nc2Oc2cccc(F)c2)CC3)CC1 ZINC001165001838 722239405 /nfs/dbraw/zinc/23/94/05/722239405.db2.gz MYZCDKJNCNHUOF-UHFFFAOYSA-N 1 1 469.952 3.208 20 0 JGADMO COc1cccc(Oc2nc(Cl)ncc2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001165001071 722240284 /nfs/dbraw/zinc/24/02/84/722240284.db2.gz BBKXZPLKQAIDEZ-UHFFFAOYSA-N 1 1 481.988 3.078 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305793906 1069311124 /nfs/dbraw/zinc/31/11/24/1069311124.db2.gz GZCYZURHMGNTET-YKSBVNFPSA-N 1 1 498.672 3.051 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305796583 1069316621 /nfs/dbraw/zinc/31/66/21/1069316621.db2.gz VEFIJFOMRSDROA-UHFFFAOYSA-N 1 1 460.667 3.325 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305796977 1069317995 /nfs/dbraw/zinc/31/79/95/1069317995.db2.gz ZPCNQRDPYCKOLH-FQEVSTJZSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305798331 1069319429 /nfs/dbraw/zinc/31/94/29/1069319429.db2.gz NTJUHVJTQDFMHK-UYAOXDASSA-N 1 1 491.681 3.032 20 0 JGADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)OC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001305804611 1069330106 /nfs/dbraw/zinc/33/01/06/1069330106.db2.gz UMFXORXOHLXXEC-SIKLNZKXSA-N 1 1 468.646 3.257 20 0 JGADMO CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)Oc1ccccc1F ZINC001305806448 1069334136 /nfs/dbraw/zinc/33/41/36/1069334136.db2.gz PKYTYQJGVDDAAV-RTBURBONSA-N 1 1 481.576 3.453 20 0 JGADMO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)OC ZINC001305811773 1069342440 /nfs/dbraw/zinc/34/24/40/1069342440.db2.gz RUBQBWZRGVZCQO-YQQAZPJKSA-N 1 1 453.429 3.390 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305816738 1069350701 /nfs/dbraw/zinc/35/07/01/1069350701.db2.gz VGSQNPCQMLKBNU-MJGOQNOKSA-N 1 1 464.010 3.191 20 0 JGADMO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)OC ZINC001305817139 1069351211 /nfs/dbraw/zinc/35/12/11/1069351211.db2.gz XACQHXWNCQAKLX-GHTZIAJQSA-N 1 1 475.659 3.084 20 0 JGADMO CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001305822727 1069358816 /nfs/dbraw/zinc/35/88/16/1069358816.db2.gz YXEFIELWBQDSGY-OALUTQOASA-N 1 1 457.623 3.261 20 0 JGADMO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001305824006 1069360837 /nfs/dbraw/zinc/36/08/37/1069360837.db2.gz IWAZSCFNCZEUGT-NRFANRHFSA-N 1 1 485.608 3.222 20 0 JGADMO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001305824006 1069360847 /nfs/dbraw/zinc/36/08/47/1069360847.db2.gz IWAZSCFNCZEUGT-NRFANRHFSA-N 1 1 485.608 3.222 20 0 JGADMO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305825691 1069364231 /nfs/dbraw/zinc/36/42/31/1069364231.db2.gz BPVGDUTVRDMFEK-RTWAWAEBSA-N 1 1 499.660 3.110 20 0 JGADMO CC[C@@H](Cn1c(C2CCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305832596 1069373642 /nfs/dbraw/zinc/37/36/42/1069373642.db2.gz ZWGJJYIEHKZAOW-IBGZPJMESA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@@H](Cn1c(C2CCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305832596 1069373649 /nfs/dbraw/zinc/37/36/49/1069373649.db2.gz ZWGJJYIEHKZAOW-IBGZPJMESA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)NC(C)C)[N@H+]1CCc2ccccc2C1 ZINC001305839982 1069386702 /nfs/dbraw/zinc/38/67/02/1069386702.db2.gz DFCQWLPNDLFSDE-XMMPIXPASA-N 1 1 475.641 3.062 20 0 JGADMO CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)NC(C)C)[N@H+]1CCc2ccccc2C1 ZINC001305839981 1069386852 /nfs/dbraw/zinc/38/68/52/1069386852.db2.gz DFCQWLPNDLFSDE-DEOSSOPVSA-N 1 1 475.641 3.062 20 0 JGADMO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305842542 1069391401 /nfs/dbraw/zinc/39/14/01/1069391401.db2.gz BVNKXHLGICJTGF-NJDAHSKKSA-N 1 1 486.665 3.116 20 0 JGADMO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001305850858 1069404117 /nfs/dbraw/zinc/40/41/17/1069404117.db2.gz UPZMLMKWKFJCGE-WCIQWLHISA-N 1 1 462.639 3.148 20 0 JGADMO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)O1 ZINC001305858209 1069413464 /nfs/dbraw/zinc/41/34/64/1069413464.db2.gz CIWRNAYOBSFGSC-QHWMMSMNSA-N 1 1 490.737 3.446 20 0 JGADMO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)O1 ZINC001305858210 1069413485 /nfs/dbraw/zinc/41/34/85/1069413485.db2.gz CIWRNAYOBSFGSC-QSEAXJEQSA-N 1 1 490.737 3.446 20 0 JGADMO CC[C@@]1(C)CC[C@H](Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)O1 ZINC001305861579 1069417902 /nfs/dbraw/zinc/41/79/02/1069417902.db2.gz VMZRGBVTXZEMOT-BWKNWUBXSA-N 1 1 456.635 3.482 20 0 JGADMO CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)O1 ZINC001305863401 1069420160 /nfs/dbraw/zinc/42/01/60/1069420160.db2.gz ZSVQIMYUYSGCOS-GJZUVCINSA-N 1 1 470.662 3.406 20 0 JGADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001305871245 1069425644 /nfs/dbraw/zinc/42/56/44/1069425644.db2.gz WDEZNRNKFBMQDY-XMMPIXPASA-N 1 1 475.037 3.398 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001305885870 1069441939 /nfs/dbraw/zinc/44/19/39/1069441939.db2.gz LNENMCOGHGDILW-SQJMNOBHSA-N 1 1 472.609 3.032 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3OC)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001305890395 1069447341 /nfs/dbraw/zinc/44/73/41/1069447341.db2.gz NLVLIGNUKZLCTE-GJZUVCINSA-N 1 1 471.646 3.240 20 0 JGADMO CC[C@]1(C)CN(c2nnc(Cc3ccccc3OC)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001305890393 1069447385 /nfs/dbraw/zinc/44/73/85/1069447385.db2.gz NLVLIGNUKZLCTE-ATIYNZHBSA-N 1 1 471.646 3.240 20 0 JGADMO CCc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001305915817 1069470278 /nfs/dbraw/zinc/47/02/78/1069470278.db2.gz APCCDFZYDPPLFT-LEWJYISDSA-N 1 1 459.660 3.251 20 0 JGADMO CCc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001305915820 1069470374 /nfs/dbraw/zinc/47/03/74/1069470374.db2.gz APCCDFZYDPPLFT-RTWAWAEBSA-N 1 1 459.660 3.251 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC001305919693 1069474753 /nfs/dbraw/zinc/47/47/53/1069474753.db2.gz PUIQGJSJFJYIBT-OSZJIOELSA-N 1 1 459.660 3.138 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(CC2CCCC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001298218488 1064132629 /nfs/dbraw/zinc/13/26/29/1064132629.db2.gz MUFMZVMPVLDNTQ-UHFFFAOYSA-N 1 1 482.673 3.242 20 0 JGADMO CN(CC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298230122 1064138749 /nfs/dbraw/zinc/13/87/49/1064138749.db2.gz LJLRCTXDAMBFLX-VXKWHMMOSA-N 1 1 473.687 3.227 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCc1ccccc1Cl ZINC001298234931 1064140779 /nfs/dbraw/zinc/14/07/79/1064140779.db2.gz BQBQADYSHTZAAS-UHFFFAOYSA-N 1 1 472.037 3.369 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CCCc1cnn(C)c1 ZINC001298235003 1064140826 /nfs/dbraw/zinc/14/08/26/1064140826.db2.gz DGRNBFZPIYRACP-UHFFFAOYSA-N 1 1 451.619 3.106 20 0 JGADMO CN(CC(C)(C)C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298235670 1064141509 /nfs/dbraw/zinc/14/15/09/1064141509.db2.gz XJPBZSDNJGEESO-DEOSSOPVSA-N 1 1 467.706 3.465 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@@H]1CC(F)(F)CO1 ZINC001298236305 1064142080 /nfs/dbraw/zinc/14/20/80/1064142080.db2.gz QMQNQAZZTUHOJJ-KRWDZBQOSA-N 1 1 467.536 3.303 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001298239145 1064143379 /nfs/dbraw/zinc/14/33/79/1064143379.db2.gz FEIHYPVKIYDKIE-UHFFFAOYSA-N 1 1 492.668 3.334 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1Cc1cc(C(C)(C)C)no1 ZINC001298240758 1064146033 /nfs/dbraw/zinc/14/60/33/1064146033.db2.gz VYXPQRCVLVKKLN-UHFFFAOYSA-N 1 1 481.645 3.392 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001298240526 1064146136 /nfs/dbraw/zinc/14/61/36/1064146136.db2.gz SJZNGGVICPRWHY-IRLDBZIGSA-N 1 1 489.636 3.342 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1Cc1ccncc1Cl ZINC001298240509 1064146168 /nfs/dbraw/zinc/14/61/68/1064146168.db2.gz RXUNGIJQRJFPCQ-FQEVSTJZSA-N 1 1 463.026 3.411 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298244262 1064148319 /nfs/dbraw/zinc/14/83/19/1064148319.db2.gz COXDXHKWFWSUNT-INIZCTEOSA-N 1 1 487.596 3.357 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CC=CCC1 ZINC001298260350 1064155561 /nfs/dbraw/zinc/15/55/61/1064155561.db2.gz XZSASCOWMUTOLU-UHFFFAOYSA-N 1 1 462.421 3.401 20 0 JGADMO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001298261864 1064156780 /nfs/dbraw/zinc/15/67/80/1064156780.db2.gz DJPOPAOKPQOCFC-GPINWOSQSA-N 1 1 453.377 3.251 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298271561 1064163134 /nfs/dbraw/zinc/16/31/34/1064163134.db2.gz QZGQNCCLORMSRP-GOSISDBHSA-N 1 1 481.613 3.217 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298271561 1064163136 /nfs/dbraw/zinc/16/31/36/1064163136.db2.gz QZGQNCCLORMSRP-GOSISDBHSA-N 1 1 481.613 3.217 20 0 JGADMO COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC001298317965 1064193582 /nfs/dbraw/zinc/19/35/82/1064193582.db2.gz GTHZTWSEWNKENY-GOSISDBHSA-N 1 1 457.596 3.442 20 0 JGADMO COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC001298317965 1064193590 /nfs/dbraw/zinc/19/35/90/1064193590.db2.gz GTHZTWSEWNKENY-GOSISDBHSA-N 1 1 457.596 3.442 20 0 JGADMO C[C@@H]1CN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CC[N@H+](C2CCC2)C1 ZINC001298318774 1064194079 /nfs/dbraw/zinc/19/40/79/1064194079.db2.gz ZDMQGBCDKKQKRW-SFHVURJKSA-N 1 1 455.603 3.394 20 0 JGADMO CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2C1 ZINC001298319965 1064195584 /nfs/dbraw/zinc/19/55/84/1064195584.db2.gz GAPMDUUOKIVRCQ-OAQYLSRUSA-N 1 1 451.567 3.086 20 0 JGADMO CN(Cc1cccc(Br)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCC1 ZINC001298324909 1064200023 /nfs/dbraw/zinc/20/00/23/1064200023.db2.gz DJERHOHDZFRQPN-SFHVURJKSA-N 1 1 496.475 3.065 20 0 JGADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001298327543 1064202923 /nfs/dbraw/zinc/20/29/23/1064202923.db2.gz CZUJHJBBCVHYFY-XMMPIXPASA-N 1 1 452.595 3.277 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298328943 1064204234 /nfs/dbraw/zinc/20/42/34/1064204234.db2.gz PYSMYVGYCKAIQE-UYAOXDASSA-N 1 1 467.536 3.284 20 0 JGADMO CN(Cc1cccc(C(N)=O)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001298330363 1064205542 /nfs/dbraw/zinc/20/55/42/1064205542.db2.gz CXOJFAXVZUGEAU-FGZHOGPDSA-N 1 1 466.630 3.194 20 0 JGADMO CN(Cc1ccccc1Br)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCOCC1 ZINC001298351538 1064215194 /nfs/dbraw/zinc/21/51/94/1064215194.db2.gz VHZSQUCCKSMQKY-IBGZPJMESA-N 1 1 478.435 3.293 20 0 JGADMO CN(Cc1ccccn1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+](C)C1CCCC1 ZINC001298376102 1064224522 /nfs/dbraw/zinc/22/45/22/1064224522.db2.gz XSKMBGCVIHDPQI-UHFFFAOYSA-N 1 1 453.616 3.175 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(C(C)(C)C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298399912 1064235610 /nfs/dbraw/zinc/23/56/10/1064235610.db2.gz PZYZMCOGMMBSPA-KRWDZBQOSA-N 1 1 471.572 3.201 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(C(C)(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298399913 1064235691 /nfs/dbraw/zinc/23/56/91/1064235691.db2.gz PZYZMCOGMMBSPA-QGZVFWFLSA-N 1 1 471.572 3.201 20 0 JGADMO CN(Cc1cnccn1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001298410194 1064239997 /nfs/dbraw/zinc/23/99/97/1064239997.db2.gz SNELVQIXSLJAJK-FQEVSTJZSA-N 1 1 482.633 3.081 20 0 JGADMO CN(Cc1cscn1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001298439935 1064252892 /nfs/dbraw/zinc/25/28/92/1064252892.db2.gz SIANKOOKAUPHGL-HDICACEKSA-N 1 1 473.647 3.404 20 0 JGADMO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2ccc[nH]2)n1CCC[NH+]1CCOCC1 ZINC001298440132 1064253229 /nfs/dbraw/zinc/25/32/29/1064253229.db2.gz AMMUCIGQJMAJSQ-UHFFFAOYSA-N 1 1 455.510 3.107 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298450881 1064258369 /nfs/dbraw/zinc/25/83/69/1064258369.db2.gz ZUEVNVXUNHOYFF-UHFFFAOYSA-N 1 1 464.039 3.065 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCOCC1(C)C ZINC001298450881 1064258373 /nfs/dbraw/zinc/25/83/73/1064258373.db2.gz ZUEVNVXUNHOYFF-UHFFFAOYSA-N 1 1 464.039 3.065 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc(CC(C)(C)C)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001298463058 1064264860 /nfs/dbraw/zinc/26/48/60/1064264860.db2.gz RPXHOTBXUKYLDA-QGZVFWFLSA-N 1 1 450.582 3.377 20 0 JGADMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c(c3)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N4)C2)C1 ZINC001298519443 1064288492 /nfs/dbraw/zinc/28/84/92/1064288492.db2.gz SRFDONLCCRIISC-CPJSRVTESA-N 1 1 456.587 3.023 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298538443 1064300326 /nfs/dbraw/zinc/30/03/26/1064300326.db2.gz ZPUUOPAPXODSLQ-MOPGFXCFSA-N 1 1 455.607 3.051 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001298557297 1064322013 /nfs/dbraw/zinc/32/20/13/1064322013.db2.gz FIBGLTKSDODQOU-SFHVURJKSA-N 1 1 463.573 3.121 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001298557297 1064322022 /nfs/dbraw/zinc/32/20/22/1064322022.db2.gz FIBGLTKSDODQOU-SFHVURJKSA-N 1 1 463.573 3.121 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298560328 1064326640 /nfs/dbraw/zinc/32/66/40/1064326640.db2.gz WTSVKZCKTCYQJB-KRWDZBQOSA-N 1 1 495.466 3.020 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001298560328 1064326653 /nfs/dbraw/zinc/32/66/53/1064326653.db2.gz WTSVKZCKTCYQJB-KRWDZBQOSA-N 1 1 495.466 3.020 20 0 JGADMO CN(C[C@H]1CCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)C1)C(=O)OC(C)(C)C ZINC001298563928 1064331387 /nfs/dbraw/zinc/33/13/87/1064331387.db2.gz CGGCZXBAMYESSL-LJQANCHMSA-N 1 1 476.666 3.350 20 0 JGADMO CN(C[C@H]1CCN(c2nnc(C3CCC3)n2CC[N@H+]2CCOCC2(C)C)C1)C(=O)OC(C)(C)C ZINC001298563928 1064331400 /nfs/dbraw/zinc/33/14/00/1064331400.db2.gz CGGCZXBAMYESSL-LJQANCHMSA-N 1 1 476.666 3.350 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCOC2)n1CCC(=O)NC(C)(C)C ZINC001298565352 1064335202 /nfs/dbraw/zinc/33/52/02/1064335202.db2.gz BPTMHMGSFWGMFT-FGZHOGPDSA-N 1 1 468.646 3.045 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1CCOCC1 ZINC001298570701 1064345513 /nfs/dbraw/zinc/34/55/13/1064345513.db2.gz IRFLPLOIPUGDOH-MRXNPFEDSA-N 1 1 482.398 3.042 20 0 JGADMO CN(CC1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001298579830 1064354067 /nfs/dbraw/zinc/35/40/67/1064354067.db2.gz JUGOSMOIYCDYGV-HSZRJFAPSA-N 1 1 455.647 3.344 20 0 JGADMO CN(CC1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298583866 1064357761 /nfs/dbraw/zinc/35/77/61/1064357761.db2.gz UWGBAGXUNNVECN-NHCUHLMSSA-N 1 1 463.667 3.170 20 0 JGADMO CN(CC1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001298583866 1064357770 /nfs/dbraw/zinc/35/77/70/1064357770.db2.gz UWGBAGXUNNVECN-NHCUHLMSSA-N 1 1 463.667 3.170 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001298595476 1064371170 /nfs/dbraw/zinc/37/11/70/1064371170.db2.gz GDVAYXQARKQGTK-ZWKOTPCHSA-N 1 1 450.509 3.282 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001298602049 1064377263 /nfs/dbraw/zinc/37/72/63/1064377263.db2.gz UATFEJCCPDYVRN-KRWDZBQOSA-N 1 1 490.571 3.461 20 0 JGADMO CN(CCc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298619832 1064391138 /nfs/dbraw/zinc/39/11/38/1064391138.db2.gz ZTJNPLNTNGRCEY-FQEVSTJZSA-N 1 1 477.650 3.263 20 0 JGADMO CN(CCc1cnccn1)c1nnc(-c2cccc(Cl)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298627004 1064399348 /nfs/dbraw/zinc/39/93/48/1064399348.db2.gz QBEYSCPSWSZMQK-UHFFFAOYSA-N 1 1 469.037 3.093 20 0 JGADMO CN(CCc1cnccn1)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298627004 1064399355 /nfs/dbraw/zinc/39/93/55/1064399355.db2.gz QBEYSCPSWSZMQK-UHFFFAOYSA-N 1 1 469.037 3.093 20 0 JGADMO CN(CCc1cnccn1)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298627004 1064399369 /nfs/dbraw/zinc/39/93/69/1064399369.db2.gz QBEYSCPSWSZMQK-UHFFFAOYSA-N 1 1 469.037 3.093 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298649107 1064423655 /nfs/dbraw/zinc/42/36/55/1064423655.db2.gz OGJADHJENTXGPS-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298649107 1064423662 /nfs/dbraw/zinc/42/36/62/1064423662.db2.gz OGJADHJENTXGPS-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298649107 1064423670 /nfs/dbraw/zinc/42/36/70/1064423670.db2.gz OGJADHJENTXGPS-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(C(C)(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001298655008 1064429928 /nfs/dbraw/zinc/42/99/28/1064429928.db2.gz QUBBTJNYFBZMLV-XMMPIXPASA-N 1 1 458.676 3.248 20 0 JGADMO C[N@@H+](CCCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)C1)C1CCCCC1 ZINC001298666982 1064446441 /nfs/dbraw/zinc/44/64/41/1064446441.db2.gz SGVKRBDPMNZJGR-UHFFFAOYSA-N 1 1 475.435 3.298 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC[N@@H+](C)C2CCCCC2)cn1 ZINC001298669771 1064451818 /nfs/dbraw/zinc/45/18/18/1064451818.db2.gz MJHPPUJNTWGLQZ-NRFANRHFSA-N 1 1 484.693 3.464 20 0 JGADMO C[N@@H+](CCCn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298674687 1064460923 /nfs/dbraw/zinc/46/09/23/1064460923.db2.gz TVBCQPUUMRZJEJ-HSZRJFAPSA-N 1 1 488.702 3.322 20 0 JGADMO C[N@@H+](CCCn1c(Cc2ccncc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298676179 1064465595 /nfs/dbraw/zinc/46/55/95/1064465595.db2.gz RIBPJCCVJVZXRS-QHCPKHFHSA-N 1 1 488.702 3.322 20 0 JGADMO C[N@@H+](CCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298679000 1064469334 /nfs/dbraw/zinc/46/93/34/1064469334.db2.gz IRVTYFZJQOQJND-AREMUKBSSA-N 1 1 454.663 3.399 20 0 JGADMO CN(CCCn1c(N(C)CC[N@@H+]2CCOC(C)(C)C2)nnc1C(C)(C)C)C(=O)OC(C)(C)C ZINC001298680410 1064471088 /nfs/dbraw/zinc/47/10/88/1064471088.db2.gz WORSHMNZRHOGTQ-UHFFFAOYSA-N 1 1 466.671 3.380 20 0 JGADMO CN(CCCn1c(N(C)CC[N@H+]2CCOC(C)(C)C2)nnc1C(C)(C)C)C(=O)OC(C)(C)C ZINC001298680410 1064471095 /nfs/dbraw/zinc/47/10/95/1064471095.db2.gz WORSHMNZRHOGTQ-UHFFFAOYSA-N 1 1 466.671 3.380 20 0 JGADMO CN(CCCNC(=O)C1CCC1)c1nnc(Cc2ccncc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298684065 1064479422 /nfs/dbraw/zinc/47/94/22/1064479422.db2.gz RWTJTSRWFSVQHB-QFIPXVFZSA-N 1 1 467.662 3.127 20 0 JGADMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001298698346 1064501037 /nfs/dbraw/zinc/50/10/37/1064501037.db2.gz DSIHAVGWYYBILY-BGWNEDDSSA-N 1 1 471.642 3.424 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)C1CCCC1 ZINC001298703996 1064505639 /nfs/dbraw/zinc/50/56/39/1064505639.db2.gz HKCUBERNPZOVPL-UHFFFAOYSA-N 1 1 467.540 3.043 20 0 JGADMO CN(C[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCCC2)C1)S(C)(=O)=O ZINC001298704048 1064505802 /nfs/dbraw/zinc/50/58/02/1064505802.db2.gz BKJRCGPEJPWYPG-OAQYLSRUSA-N 1 1 488.702 3.317 20 0 JGADMO Cn1cc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)cn1 ZINC001298704001 1064505950 /nfs/dbraw/zinc/50/59/50/1064505950.db2.gz HOFDQYXHMUQCGA-LJQANCHMSA-N 1 1 486.665 3.294 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)cn1 ZINC001298704820 1064508700 /nfs/dbraw/zinc/50/87/00/1064508700.db2.gz YOQKACYNZIHKFZ-HXUWFJFHSA-N 1 1 486.665 3.437 20 0 JGADMO CN(CCn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298704948 1064508842 /nfs/dbraw/zinc/50/88/42/1064508842.db2.gz OJPLOMMGVPFQPG-LJQANCHMSA-N 1 1 488.608 3.110 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)cn1 ZINC001298704819 1064508892 /nfs/dbraw/zinc/50/88/92/1064508892.db2.gz YOQKACYNZIHKFZ-FQEVSTJZSA-N 1 1 486.665 3.437 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298705630 1064511014 /nfs/dbraw/zinc/51/10/14/1064511014.db2.gz IKFRJYDTQBGZRG-CJFMBICVSA-N 1 1 472.609 3.142 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC001298706208 1064511717 /nfs/dbraw/zinc/51/17/17/1064511717.db2.gz QHYHLBSEPAUSMA-ZWKOTPCHSA-N 1 1 450.509 3.140 20 0 JGADMO CN(CCN1CCOC(C)(C)C1)c1nnc(C2CCC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298706063 1064511757 /nfs/dbraw/zinc/51/17/57/1064511757.db2.gz PFNPDDMBNNHSSM-UHFFFAOYSA-N 1 1 458.626 3.364 20 0 JGADMO C[N@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298708735 1064514285 /nfs/dbraw/zinc/51/42/85/1064514285.db2.gz NTCQVBKWARYJRC-YADHBBJMSA-N 1 1 475.659 3.055 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298708735 1064514298 /nfs/dbraw/zinc/51/42/98/1064514298.db2.gz NTCQVBKWARYJRC-YADHBBJMSA-N 1 1 475.659 3.055 20 0 JGADMO C[N@@H+](CCn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001298711713 1064517447 /nfs/dbraw/zinc/51/74/47/1064517447.db2.gz DIPYWPXUMOEHMT-JOCHJYFZSA-N 1 1 484.645 3.093 20 0 JGADMO C[N@H+](CCn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC001298711734 1064517760 /nfs/dbraw/zinc/51/77/60/1064517760.db2.gz DVHZXABZTFJTED-UHFFFAOYSA-N 1 1 473.668 3.076 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC001298711734 1064517775 /nfs/dbraw/zinc/51/77/75/1064517775.db2.gz DVHZXABZTFJTED-UHFFFAOYSA-N 1 1 473.668 3.076 20 0 JGADMO CN(CCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2ccsc2)CC1)CC(F)(F)F ZINC001298711640 1064517841 /nfs/dbraw/zinc/51/78/41/1064517841.db2.gz ANLWPKUVGIDERH-UHFFFAOYSA-N 1 1 479.576 3.142 20 0 JGADMO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1)C1CCCC1 ZINC001298712393 1064519220 /nfs/dbraw/zinc/51/92/20/1064519220.db2.gz BUUOTRVGUNHPSR-UHFFFAOYSA-N 1 1 474.679 3.448 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298712335 1064519497 /nfs/dbraw/zinc/51/94/97/1064519497.db2.gz BAZZMKBAMVYKCU-IRLDBZIGSA-N 1 1 486.636 3.184 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001298714812 1064524548 /nfs/dbraw/zinc/52/45/48/1064524548.db2.gz QMOGGWQNBKCVSR-FGZHOGPDSA-N 1 1 484.645 3.408 20 0 JGADMO CN(Cc1ccsc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001298715874 1064525079 /nfs/dbraw/zinc/52/50/79/1064525079.db2.gz XPUZERIHFFSOFC-FQEVSTJZSA-N 1 1 459.641 3.010 20 0 JGADMO CN(Cc1ccsc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001298715874 1064525093 /nfs/dbraw/zinc/52/50/93/1064525093.db2.gz XPUZERIHFFSOFC-FQEVSTJZSA-N 1 1 459.641 3.010 20 0 JGADMO C[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CC=C(C(F)(F)F)CC1)Cc1ccccc1 ZINC001298717099 1064526807 /nfs/dbraw/zinc/52/68/07/1064526807.db2.gz IQIJXMGOSAYOFF-UHFFFAOYSA-N 1 1 462.520 3.231 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc3c(c2)OCO3)n1CCSC(F)(F)F ZINC001298728083 1064538773 /nfs/dbraw/zinc/53/87/73/1064538773.db2.gz MPRQDJKLRSMPDK-UHFFFAOYSA-N 1 1 487.548 3.474 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc3c(c2)OCO3)n1CCSC(F)(F)F ZINC001298728083 1064538786 /nfs/dbraw/zinc/53/87/86/1064538786.db2.gz MPRQDJKLRSMPDK-UHFFFAOYSA-N 1 1 487.548 3.474 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccccc1F ZINC001298728366 1064540273 /nfs/dbraw/zinc/54/02/73/1064540273.db2.gz RHVHHOBGLZESOR-UHFFFAOYSA-N 1 1 486.636 3.178 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccccc1F ZINC001298728366 1064540286 /nfs/dbraw/zinc/54/02/86/1064540286.db2.gz RHVHHOBGLZESOR-UHFFFAOYSA-N 1 1 486.636 3.178 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 ZINC001298728901 1064542842 /nfs/dbraw/zinc/54/28/42/1064542842.db2.gz CILAKVNEPPVFET-UHFFFAOYSA-N 1 1 489.064 3.115 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 ZINC001298728901 1064542858 /nfs/dbraw/zinc/54/28/58/1064542858.db2.gz CILAKVNEPPVFET-UHFFFAOYSA-N 1 1 489.064 3.115 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001298729988 1064543906 /nfs/dbraw/zinc/54/39/06/1064543906.db2.gz OYIBJHWTFUHUDO-QFIPXVFZSA-N 1 1 471.646 3.342 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001298729988 1064543922 /nfs/dbraw/zinc/54/39/22/1064543922.db2.gz OYIBJHWTFUHUDO-QFIPXVFZSA-N 1 1 471.646 3.342 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1Cc1cscc1C(F)(F)F ZINC001298729732 1064544111 /nfs/dbraw/zinc/54/41/11/1064544111.db2.gz NLQUDIVSVCQBHQ-HNNXBMFYSA-N 1 1 473.565 3.458 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1Cc1cscc1C(F)(F)F ZINC001298729732 1064544126 /nfs/dbraw/zinc/54/41/26/1064544126.db2.gz NLQUDIVSVCQBHQ-HNNXBMFYSA-N 1 1 473.565 3.458 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001298734103 1064550061 /nfs/dbraw/zinc/55/00/61/1064550061.db2.gz YHDDCUBVCXZEOX-PZJWPPBQSA-N 1 1 475.609 3.094 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001298734103 1064550073 /nfs/dbraw/zinc/55/00/73/1064550073.db2.gz YHDDCUBVCXZEOX-PZJWPPBQSA-N 1 1 475.609 3.094 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001298734101 1064550098 /nfs/dbraw/zinc/55/00/98/1064550098.db2.gz YHDDCUBVCXZEOX-CTNGQTDRSA-N 1 1 475.609 3.094 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001298734101 1064550106 /nfs/dbraw/zinc/55/01/06/1064550106.db2.gz YHDDCUBVCXZEOX-CTNGQTDRSA-N 1 1 475.609 3.094 20 0 JGADMO Cc1ccc(Br)c(C(=O)N(C)CC[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC001298756958 1064566741 /nfs/dbraw/zinc/56/67/41/1064566741.db2.gz WPQDZNCTCSMZEG-UHFFFAOYSA-N 1 1 458.356 3.058 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1CCCn1cccn1 ZINC001298782391 1064587050 /nfs/dbraw/zinc/58/70/50/1064587050.db2.gz UDDMFAOIEXCSSY-NZQKXSOJSA-N 1 1 467.666 3.406 20 0 JGADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC001298799492 1064597249 /nfs/dbraw/zinc/59/72/49/1064597249.db2.gz BWYNZSHNKWYLHR-LPHOPBHVSA-N 1 1 453.425 3.360 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2cccc(C(C)(C)O)c2)cn1 ZINC001298816978 1064618228 /nfs/dbraw/zinc/61/82/28/1064618228.db2.gz ODXYFASYYRBMEC-UHFFFAOYSA-N 1 1 451.619 3.265 20 0 JGADMO COc1cccc(-n2c(C)nnc2SCC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC001298839598 1064642461 /nfs/dbraw/zinc/64/24/61/1064642461.db2.gz IZBTXDVFYPBWNN-UHFFFAOYSA-N 1 1 452.584 3.296 20 0 JGADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001298846868 1064650292 /nfs/dbraw/zinc/65/02/92/1064650292.db2.gz QFZCILFBLYWYMN-BVAGGSTKSA-N 1 1 450.583 3.411 20 0 JGADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC001298846701 1064650533 /nfs/dbraw/zinc/65/05/33/1064650533.db2.gz OWBFWRNGACECJS-SFHVURJKSA-N 1 1 459.388 3.178 20 0 JGADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cc(F)cc(I)c1N ZINC001298847679 1064651427 /nfs/dbraw/zinc/65/14/27/1064651427.db2.gz VYTBRRHOKQOZIS-UHFFFAOYSA-N 1 1 456.303 3.002 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001298852391 1064654878 /nfs/dbraw/zinc/65/48/78/1064654878.db2.gz IKJWIPGRCSQHLO-OAQYLSRUSA-N 1 1 452.525 3.075 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298853144 1064655578 /nfs/dbraw/zinc/65/55/78/1064655578.db2.gz XIEWPTZKEOBUMQ-OAHLLOKOSA-N 1 1 494.484 3.452 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298853747 1064656159 /nfs/dbraw/zinc/65/61/59/1064656159.db2.gz CTYQZJHFNUCDJY-HXUWFJFHSA-N 1 1 458.651 3.304 20 0 JGADMO CN(CCc1nccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298877471 1064682556 /nfs/dbraw/zinc/68/25/56/1064682556.db2.gz GBGWAPXDMDGPQF-DEOSSOPVSA-N 1 1 454.644 3.445 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(F)(F)CC2)C1 ZINC001298877561 1064682627 /nfs/dbraw/zinc/68/26/27/1064682627.db2.gz HDDRZIBDDBWMBF-SFHVURJKSA-N 1 1 456.335 3.010 20 0 JGADMO CN(Cc1ccc(OC(F)F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298878242 1064683290 /nfs/dbraw/zinc/68/32/90/1064683290.db2.gz KXBUBXITSLRUOP-QFIPXVFZSA-N 1 1 478.931 3.298 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298878110 1064683404 /nfs/dbraw/zinc/68/34/04/1064683404.db2.gz JLNNBSUQQSFNQE-FQEVSTJZSA-N 1 1 481.345 3.017 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(F)(F)CC2)C1 ZINC001298878737 1064684141 /nfs/dbraw/zinc/68/41/41/1064684141.db2.gz LSBKCZRXUZRFOT-SFHVURJKSA-N 1 1 474.325 3.149 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCCC2(C)C)C1 ZINC001298879284 1064685011 /nfs/dbraw/zinc/68/50/11/1064685011.db2.gz OOGFQGRYBQDMLF-FQEVSTJZSA-N 1 1 452.372 3.292 20 0 JGADMO CN(CC1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001298879953 1064685881 /nfs/dbraw/zinc/68/58/81/1064685881.db2.gz SSIAQFICAVBWCI-SANMLTNESA-N 1 1 484.645 3.095 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001298880716 1064685891 /nfs/dbraw/zinc/68/58/91/1064685891.db2.gz XHWQUGPEFZKTKF-OAQYLSRUSA-N 1 1 463.424 3.285 20 0 JGADMO CN(c1nnc(-c2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@H](CF)c1ccc(Br)cc1 ZINC001298881068 1064686874 /nfs/dbraw/zinc/68/68/74/1064686874.db2.gz ZOCIQAKTWLVZDV-KNQAVFIVSA-N 1 1 489.393 3.316 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298881224 1064687618 /nfs/dbraw/zinc/68/76/18/1064687618.db2.gz DIODNUFKUKXAAS-JTSKRJEESA-N 1 1 466.051 3.153 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001298881898 1064688634 /nfs/dbraw/zinc/68/86/34/1064688634.db2.gz MSTDTAYLYNPSHI-YKSBVNFPSA-N 1 1 462.038 3.373 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CCc2ccccc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001298885702 1064692048 /nfs/dbraw/zinc/69/20/48/1064692048.db2.gz AVLYSKVQGQFAMR-QFIPXVFZSA-N 1 1 473.687 3.197 20 0 JGADMO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298886106 1064693085 /nfs/dbraw/zinc/69/30/85/1064693085.db2.gz CULHILOGIHUYDA-QHAWAJNXSA-N 1 1 495.734 3.331 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298886106 1064693088 /nfs/dbraw/zinc/69/30/88/1064693088.db2.gz CULHILOGIHUYDA-QHAWAJNXSA-N 1 1 495.734 3.331 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886278 1064694142 /nfs/dbraw/zinc/69/41/42/1064694142.db2.gz DYHMMBUWVNZPIG-FQEVSTJZSA-N 1 1 475.037 3.156 20 0 JGADMO Cn1cccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298886687 1064694921 /nfs/dbraw/zinc/69/49/21/1064694921.db2.gz QTAHCSVFSBRBTQ-GOSISDBHSA-N 1 1 453.557 3.088 20 0 JGADMO CN(CCOc1ccccc1Cl)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298886748 1064695046 /nfs/dbraw/zinc/69/50/46/1064695046.db2.gz SEWHVTSTHJFCNJ-JYMRHQFYSA-N 1 1 492.064 3.432 20 0 JGADMO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001298887353 1064695786 /nfs/dbraw/zinc/69/57/86/1064695786.db2.gz ISMQRWDWJQZKJB-ROUUACIJSA-N 1 1 491.624 3.469 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001298887353 1064695791 /nfs/dbraw/zinc/69/57/91/1064695791.db2.gz ISMQRWDWJQZKJB-ROUUACIJSA-N 1 1 491.624 3.469 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001298889474 1064699508 /nfs/dbraw/zinc/69/95/08/1064699508.db2.gz UFLLRERSQGBSEQ-GOSISDBHSA-N 1 1 494.562 3.107 20 0 JGADMO C[N@H+]1CCN(CCn2c(-c3ccccc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1(C)C ZINC001298897080 1064703403 /nfs/dbraw/zinc/70/34/03/1064703403.db2.gz LCXOHTBMGQZRFG-QFIPXVFZSA-N 1 1 481.689 3.102 20 0 JGADMO CN1CC[N@H+](CCn2c(-c3ccccc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1(C)C ZINC001298897080 1064703415 /nfs/dbraw/zinc/70/34/15/1064703415.db2.gz LCXOHTBMGQZRFG-QFIPXVFZSA-N 1 1 481.689 3.102 20 0 JGADMO CN1CC[N@@H+](CCn2c(-c3ccccc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1(C)C ZINC001298897080 1064703429 /nfs/dbraw/zinc/70/34/29/1064703429.db2.gz LCXOHTBMGQZRFG-QFIPXVFZSA-N 1 1 481.689 3.102 20 0 JGADMO C[N@H+]1CCN(CCn2c(-c3ccccc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1(C)C ZINC001298897078 1064703743 /nfs/dbraw/zinc/70/37/43/1064703743.db2.gz LCXOHTBMGQZRFG-JOCHJYFZSA-N 1 1 481.689 3.102 20 0 JGADMO CN1CC[N@H+](CCn2c(-c3ccccc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1(C)C ZINC001298897078 1064703756 /nfs/dbraw/zinc/70/37/56/1064703756.db2.gz LCXOHTBMGQZRFG-JOCHJYFZSA-N 1 1 481.689 3.102 20 0 JGADMO CN1CC[N@@H+](CCn2c(-c3ccccc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1(C)C ZINC001298897078 1064703767 /nfs/dbraw/zinc/70/37/67/1064703767.db2.gz LCXOHTBMGQZRFG-JOCHJYFZSA-N 1 1 481.689 3.102 20 0 JGADMO C[N@H+]1CCN(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001298896869 1064703865 /nfs/dbraw/zinc/70/38/65/1064703865.db2.gz IRLVABCDDHSPSY-MSOLQXFVSA-N 1 1 458.573 3.324 20 0 JGADMO Cn1ncc(CCCn2c(Cc3ccccc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001298902817 1064706789 /nfs/dbraw/zinc/70/67/89/1064706789.db2.gz KIGHLVSBWKVEAJ-UHFFFAOYSA-N 1 1 454.598 3.080 20 0 JGADMO C[NH+](C)[C@H](C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 ZINC001298910764 1064711982 /nfs/dbraw/zinc/71/19/82/1064711982.db2.gz YJTDXJLDBWBZRZ-PMACEKPBSA-N 1 1 451.011 3.096 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001298918012 1064719817 /nfs/dbraw/zinc/71/98/17/1064719817.db2.gz ZDHPQWQJVQLTJR-QZTJIDSGSA-N 1 1 458.582 3.004 20 0 JGADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001298926629 1064726036 /nfs/dbraw/zinc/72/60/36/1064726036.db2.gz SRFMJTHWRHHWJB-LJQANCHMSA-N 1 1 459.587 3.299 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001298948549 1064739405 /nfs/dbraw/zinc/73/94/05/1064739405.db2.gz IPGZBRZJUZVCGO-RBUKOAKNSA-N 1 1 456.660 3.324 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CC=CCC1 ZINC001298952538 1064743776 /nfs/dbraw/zinc/74/37/76/1064743776.db2.gz DSCPUJXPPQWMOE-FPOVZHCZSA-N 1 1 454.619 3.115 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001298964410 1064751550 /nfs/dbraw/zinc/75/15/50/1064751550.db2.gz BJJNAWFHVLRBCO-LPHOPBHVSA-N 1 1 475.037 3.442 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001298965470 1064753682 /nfs/dbraw/zinc/75/36/82/1064753682.db2.gz GLSGREKTQJUYDB-ZACQAIPSSA-N 1 1 495.043 3.444 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001298967015 1064757005 /nfs/dbraw/zinc/75/70/05/1064757005.db2.gz OYKAFAXNIOUASX-ROUUACIJSA-N 1 1 462.042 3.180 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001298967408 1064757856 /nfs/dbraw/zinc/75/78/56/1064757856.db2.gz QPPJEIBNYOHIOM-RBUKOAKNSA-N 1 1 456.635 3.283 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001298973550 1064763534 /nfs/dbraw/zinc/76/35/34/1064763534.db2.gz ZLZZRCAISNYXEK-HBMCJLEFSA-N 1 1 498.672 3.293 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[N@@H+](C)C1CCCCC1 ZINC001298978964 1064765575 /nfs/dbraw/zinc/76/55/75/1064765575.db2.gz KKAHNCITOOZRIU-GOSISDBHSA-N 1 1 494.644 3.067 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299008483 1064793000 /nfs/dbraw/zinc/79/30/00/1064793000.db2.gz UIJHOACFZUXLKK-MHECFPHRSA-N 1 1 460.598 3.250 20 0 JGADMO CC[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC001299009001 1064793440 /nfs/dbraw/zinc/79/34/40/1064793440.db2.gz DAMQSZPVTXHCBK-RDPSFJRHSA-N 1 1 455.624 3.053 20 0 JGADMO CC[N@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)[C@@H](C)C1 ZINC001299010447 1064794271 /nfs/dbraw/zinc/79/42/71/1064794271.db2.gz UQBYKSSFGXKHJY-CMKODMSKSA-N 1 1 451.633 3.109 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299028337 1064812272 /nfs/dbraw/zinc/81/22/72/1064812272.db2.gz KJLAJXJSBUDBGA-NIYFSFCBSA-N 1 1 470.637 3.481 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299029027 1064814457 /nfs/dbraw/zinc/81/44/57/1064814457.db2.gz QTWZKYSKYYTCDI-ZBLYBZFDSA-N 1 1 482.673 3.373 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001299070516 1064867714 /nfs/dbraw/zinc/86/77/14/1064867714.db2.gz IKCRMAWNMCWZKL-IAGOWNOFSA-N 1 1 492.466 3.119 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+](C)C(C)C)C1 ZINC001299071425 1064871335 /nfs/dbraw/zinc/87/13/35/1064871335.db2.gz FDWKRQHBLFWCPM-AWEZNQCLSA-N 1 1 469.453 3.072 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299072044 1064872614 /nfs/dbraw/zinc/87/26/14/1064872614.db2.gz QMKABAOURSBDBH-HBMCJLEFSA-N 1 1 498.672 3.293 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299075193 1064879496 /nfs/dbraw/zinc/87/94/96/1064879496.db2.gz SOJOHLUHHQKLNO-NQIIRXRSSA-N 1 1 482.032 3.476 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299082791 1064885998 /nfs/dbraw/zinc/88/59/98/1064885998.db2.gz RLVWJUGYYLBHHK-RBBKRZOGSA-N 1 1 461.614 3.131 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299082790 1064886064 /nfs/dbraw/zinc/88/60/64/1064886064.db2.gz RLVWJUGYYLBHHK-IRLDBZIGSA-N 1 1 461.614 3.131 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299086283 1064891672 /nfs/dbraw/zinc/89/16/72/1064891672.db2.gz OWPINOSDDGNWCH-FCHUYYIVSA-N 1 1 470.637 3.338 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299086286 1064891705 /nfs/dbraw/zinc/89/17/05/1064891705.db2.gz OWPINOSDDGNWCH-VXKWHMMOSA-N 1 1 470.637 3.338 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001299098944 1064904134 /nfs/dbraw/zinc/90/41/34/1064904134.db2.gz VYGLYOOUEGGYIX-IFMALSPDSA-N 1 1 468.646 3.248 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299121889 1064931288 /nfs/dbraw/zinc/93/12/88/1064931288.db2.gz HABFAHWONFPHNA-UHFFFAOYSA-N 1 1 456.635 3.167 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001299124389 1064932692 /nfs/dbraw/zinc/93/26/92/1064932692.db2.gz RGVDSLAGDRHZRO-UHFFFAOYSA-N 1 1 472.609 3.081 20 0 JGADMO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001299125554 1064933427 /nfs/dbraw/zinc/93/34/27/1064933427.db2.gz AONIJJMLAQLMFT-QAPCUYQASA-N 1 1 456.450 3.149 20 0 JGADMO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299129465 1064937508 /nfs/dbraw/zinc/93/75/08/1064937508.db2.gz VZAISUCXVONFBC-ZJSXRUAMSA-N 1 1 498.672 3.251 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001299132803 1064940310 /nfs/dbraw/zinc/94/03/10/1064940310.db2.gz ADMPCPWMJLFGDH-MZKRTTBSSA-N 1 1 482.673 3.314 20 0 JGADMO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299133745 1064941610 /nfs/dbraw/zinc/94/16/10/1064941610.db2.gz KDFXCUGGWOFGTN-HSZRJFAPSA-N 1 1 482.673 3.458 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299766105 1064962938 /nfs/dbraw/zinc/96/29/38/1064962938.db2.gz VOGUJAXLUYKBRM-CPJSRVTESA-N 1 1 494.681 3.322 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001299767656 1064964598 /nfs/dbraw/zinc/96/45/98/1064964598.db2.gz GIDPENJVAXPDHP-NDEPHWFRSA-N 1 1 497.732 3.236 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001299771299 1064968862 /nfs/dbraw/zinc/96/88/62/1064968862.db2.gz IDIJMHWJXRUWAI-RUZDIDTESA-N 1 1 451.619 3.277 20 0 JGADMO COC1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001299774522 1064975451 /nfs/dbraw/zinc/97/54/51/1064975451.db2.gz FCTYUDRGDXXUEV-FCHUYYIVSA-N 1 1 498.672 3.203 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299779455 1064978458 /nfs/dbraw/zinc/97/84/58/1064978458.db2.gz KFTRBWHCLMMRLA-LJQANCHMSA-N 1 1 478.435 3.290 20 0 JGADMO COC1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299779272 1064978620 /nfs/dbraw/zinc/97/86/20/1064978620.db2.gz HBNPSXKOXHZBMG-GOSISDBHSA-N 1 1 475.659 3.084 20 0 JGADMO COC1(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299780891 1064979985 /nfs/dbraw/zinc/97/99/85/1064979985.db2.gz RUKPJPHLUVKVQM-LJQANCHMSA-N 1 1 464.655 3.348 20 0 JGADMO COC1(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299785926 1064982831 /nfs/dbraw/zinc/98/28/31/1064982831.db2.gz IDMGPXBQIBQTLV-HDICACEKSA-N 1 1 462.639 3.148 20 0 JGADMO COC1(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCC1 ZINC001299786780 1064984270 /nfs/dbraw/zinc/98/42/70/1064984270.db2.gz QRWZGPKIUNACNL-NRFANRHFSA-N 1 1 454.619 3.086 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299787166 1064984847 /nfs/dbraw/zinc/98/48/47/1064984847.db2.gz XQXZLAZVTBFNQM-HXUWFJFHSA-N 1 1 464.010 3.092 20 0 JGADMO COC1(CCn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC001299787291 1064985011 /nfs/dbraw/zinc/98/50/11/1064985011.db2.gz VCBCBJZDLKJGGN-UHFFFAOYSA-N 1 1 472.609 3.227 20 0 JGADMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)CC1 ZINC001299789850 1064986784 /nfs/dbraw/zinc/98/67/84/1064986784.db2.gz RWDZCIWXTRMVTF-UHFFFAOYSA-N 1 1 454.608 3.097 20 0 JGADMO COC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)CCCCC1 ZINC001299796414 1064993488 /nfs/dbraw/zinc/99/34/88/1064993488.db2.gz VWFVHFLVMUWWBV-UHFFFAOYSA-N 1 1 460.648 3.149 20 0 JGADMO CO[C@@]1(Cn2c(CCOc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCOC1 ZINC001299816317 1065010514 /nfs/dbraw/zinc/01/05/14/1065010514.db2.gz OGUHRVVEFHZYNL-RUZDIDTESA-N 1 1 457.619 3.016 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)cc1OC ZINC001299824454 1065017691 /nfs/dbraw/zinc/01/76/91/1065017691.db2.gz HNJAVFBOKFJWAQ-FQEVSTJZSA-N 1 1 484.645 3.313 20 0 JGADMO CCCN(C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001299833251 1065024533 /nfs/dbraw/zinc/02/45/33/1065024533.db2.gz NZLBAKOZGNQODC-CEXWTWQISA-N 1 1 457.644 3.278 20 0 JGADMO CCCN(C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC001299833252 1065024703 /nfs/dbraw/zinc/02/47/03/1065024703.db2.gz NZLBAKOZGNQODC-FHWLQOOXSA-N 1 1 457.644 3.278 20 0 JGADMO COc1cc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc(OC)c1OC ZINC001299836979 1065029685 /nfs/dbraw/zinc/02/96/85/1065029685.db2.gz OZGAPKIXXQIAMH-CRAIPNDOSA-N 1 1 461.632 3.395 20 0 JGADMO COc1cc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC(C)(C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299838026 1065032226 /nfs/dbraw/zinc/03/22/26/1065032226.db2.gz WACCGZZAPCTPEQ-HXUWFJFHSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(-c2nnc(N(C)Cc3cc(C)on3)n2CC[N@H+]2CCC[C@H]2C)cc(OC)c1OC ZINC001299840291 1065033736 /nfs/dbraw/zinc/03/37/36/1065033736.db2.gz KDXGNEKKGZZSRU-MRXNPFEDSA-N 1 1 470.574 3.388 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CC[N@@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299840925 1065036232 /nfs/dbraw/zinc/03/62/32/1065036232.db2.gz DYKWRWDKYSBISL-FQEVSTJZSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CC[N@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299840925 1065036244 /nfs/dbraw/zinc/03/62/44/1065036244.db2.gz DYKWRWDKYSBISL-FQEVSTJZSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2C[C@@H]2C)cc(OC)c1OC ZINC001299841512 1065037633 /nfs/dbraw/zinc/03/76/33/1065037633.db2.gz WLEWFSIIZYTXKP-GNBUJSLZSA-N 1 1 473.618 3.172 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2C[C@@H]2C)cc(OC)c1OC ZINC001299841512 1065037647 /nfs/dbraw/zinc/03/76/47/1065037647.db2.gz WLEWFSIIZYTXKP-GNBUJSLZSA-N 1 1 473.618 3.172 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299843298 1065040519 /nfs/dbraw/zinc/04/05/19/1065040519.db2.gz IOEWHDOEEYHCHE-OTWHNJEPSA-N 1 1 473.618 3.174 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299844464 1065043567 /nfs/dbraw/zinc/04/35/67/1065043567.db2.gz SCPYLWYTBYFQAD-ROUUACIJSA-N 1 1 461.607 3.315 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCCSC)cc(OC)c1OC ZINC001299846402 1065046902 /nfs/dbraw/zinc/04/69/02/1065046902.db2.gz JPDXPLFIEFZVMT-DEOSSOPVSA-N 1 1 491.658 3.025 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC[N@@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299847748 1065049503 /nfs/dbraw/zinc/04/95/03/1065049503.db2.gz COIVZNVFUHXGBT-MSOLQXFVSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC[N@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299847748 1065049519 /nfs/dbraw/zinc/04/95/19/1065049519.db2.gz COIVZNVFUHXGBT-MSOLQXFVSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc(OC)c1OC ZINC001299847832 1065049561 /nfs/dbraw/zinc/04/95/61/1065049561.db2.gz FOJFIBWMDYQFBE-JKSBSHDWSA-N 1 1 473.618 3.315 20 0 JGADMO C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@H](c2ccccc2)C1 ZINC001299849452 1065051872 /nfs/dbraw/zinc/05/18/72/1065051872.db2.gz UQFOMXCYUQYWNI-QMMLZNLJSA-N 1 1 456.384 3.264 20 0 JGADMO CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)cc(C(C)C)nc21 ZINC001299849621 1065052212 /nfs/dbraw/zinc/05/22/12/1065052212.db2.gz ZNHUTWFKSOSERW-QUCCMNQESA-N 1 1 463.582 3.106 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@H](OC)C3)n2CC[N@@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299849879 1065052860 /nfs/dbraw/zinc/05/28/60/1065052860.db2.gz ARGIXTULZMJRSI-NRFANRHFSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@H](OC)C3)n2CC[N@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299849879 1065052874 /nfs/dbraw/zinc/05/28/74/1065052874.db2.gz ARGIXTULZMJRSI-NRFANRHFSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(-c2nnc(N3CCCC[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299855185 1065063920 /nfs/dbraw/zinc/06/39/20/1065063920.db2.gz SDKMVMQPGVTXBV-TZIWHRDSSA-N 1 1 487.645 3.444 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@](C)(O)C2CC2)cc(OC)c1OC ZINC001299855859 1065064469 /nfs/dbraw/zinc/06/44/69/1065064469.db2.gz YKFVUUULYKBYKC-VWLOTQADSA-N 1 1 473.618 3.052 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299856900 1065065603 /nfs/dbraw/zinc/06/56/03/1065065603.db2.gz HPMOBMRVFUVZMR-GOSISDBHSA-N 1 1 487.523 3.079 20 0 JGADMO COc1cc(-c2nnc(N3CCn4nc(C)nc4C3)n2CCC[N@@H+](C)C(C)C)ccc1OC(C)C ZINC001299857559 1065066943 /nfs/dbraw/zinc/06/69/43/1065066943.db2.gz SACSNTKTTOLHPD-UHFFFAOYSA-N 1 1 482.633 3.391 20 0 JGADMO COc1cc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCn2cc[nH+]c2C)ccc1OC(C)C ZINC001299858869 1065071255 /nfs/dbraw/zinc/07/12/55/1065071255.db2.gz UOKWOQGXUYONDP-GOSISDBHSA-N 1 1 481.601 3.003 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1OC(C)C ZINC001299860742 1065076132 /nfs/dbraw/zinc/07/61/32/1065076132.db2.gz WKOWLWNXQHWKJR-IRLDBZIGSA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299860990 1065076727 /nfs/dbraw/zinc/07/67/27/1065076727.db2.gz ZXEACVHDWPNQCC-KRWDZBQOSA-N 1 1 491.658 3.023 20 0 JGADMO COc1cc(-c2nnc(N3CCSC(C)(C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc(OC)c1OC ZINC001299861302 1065077081 /nfs/dbraw/zinc/07/70/81/1065077081.db2.gz CXDJVEBIYNVYAO-KRWDZBQOSA-N 1 1 491.658 3.023 20 0 JGADMO COc1cc(-c2nnc(N3CCSC(C)(C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc(OC)c1OC ZINC001299861302 1065077094 /nfs/dbraw/zinc/07/70/94/1065077094.db2.gz CXDJVEBIYNVYAO-KRWDZBQOSA-N 1 1 491.658 3.023 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](OC)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)ccc1OC(C)C ZINC001299862350 1065079089 /nfs/dbraw/zinc/07/90/89/1065079089.db2.gz WYTHHVBAQWBVBL-IRLDBZIGSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(CCn2c(CC(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)ccc1C ZINC001299866630 1065084383 /nfs/dbraw/zinc/08/43/83/1065084383.db2.gz WTHYBNQLDNPFCQ-UHFFFAOYSA-N 1 1 465.646 3.482 20 0 JGADMO COc1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H]2C)ccc1SC ZINC001299870511 1065087838 /nfs/dbraw/zinc/08/78/38/1065087838.db2.gz ZMFLJBDRQVWSSB-GOSISDBHSA-N 1 1 472.659 3.365 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)cc(OC)c1 ZINC001299871624 1065090049 /nfs/dbraw/zinc/09/00/49/1065090049.db2.gz MMWIKFLRVAUTCR-UHFFFAOYSA-N 1 1 466.586 3.105 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3cccnc3)n2CC[N@H+]2CCOCC2(C)C)cc(OC)c1 ZINC001299871624 1065090063 /nfs/dbraw/zinc/09/00/63/1065090063.db2.gz MMWIKFLRVAUTCR-UHFFFAOYSA-N 1 1 466.586 3.105 20 0 JGADMO COc1cc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1C ZINC001299887143 1065111833 /nfs/dbraw/zinc/11/18/33/1065111833.db2.gz HGTZAZCQNDKHRQ-NRFANRHFSA-N 1 1 457.619 3.432 20 0 JGADMO COc1cc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1C ZINC001299887143 1065111839 /nfs/dbraw/zinc/11/18/39/1065111839.db2.gz HGTZAZCQNDKHRQ-NRFANRHFSA-N 1 1 457.619 3.432 20 0 JGADMO COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)ccc1Cl ZINC001299888399 1065113775 /nfs/dbraw/zinc/11/37/75/1065113775.db2.gz XCLVZWBEAGDGGW-GOSISDBHSA-N 1 1 496.077 3.201 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3cccnc3OC)CC2)cc(OC)c1 ZINC001299893397 1065123332 /nfs/dbraw/zinc/12/33/32/1065123332.db2.gz UEMJXBTYBVKTSO-UHFFFAOYSA-N 1 1 480.613 3.367 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001299895219 1065126403 /nfs/dbraw/zinc/12/64/03/1065126403.db2.gz NBUPQNKEOYPUFF-PKOBYXMFSA-N 1 1 496.077 3.351 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCNC(=O)C(C)C)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001299898892 1065133862 /nfs/dbraw/zinc/13/38/62/1065133862.db2.gz VFSIYODPJWIITF-QGZVFWFLSA-N 1 1 486.020 3.275 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001299903584 1065142433 /nfs/dbraw/zinc/14/24/33/1065142433.db2.gz GNYRGWDIAVKZIQ-SPLOXXLWSA-N 1 1 455.937 3.155 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001299903582 1065142457 /nfs/dbraw/zinc/14/24/57/1065142457.db2.gz GNYRGWDIAVKZIQ-LHSJRXKWSA-N 1 1 455.937 3.155 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)CN1CCOCC1 ZINC001299908682 1065153370 /nfs/dbraw/zinc/15/33/70/1065153370.db2.gz ZBMPQXZFTPTXCM-LJQANCHMSA-N 1 1 491.080 3.496 20 0 JGADMO COc1cc(N(C)c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@H]2C)cc(OC)c1OC ZINC001299924036 1065178592 /nfs/dbraw/zinc/17/85/92/1065178592.db2.gz PIULNNMGFYYPTR-QZTJIDSGSA-N 1 1 459.591 3.450 20 0 JGADMO COc1cc(N(C)c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCC[C@H]2C)cc(OC)c1OC ZINC001299924035 1065178656 /nfs/dbraw/zinc/17/86/56/1065178656.db2.gz PIULNNMGFYYPTR-MSOLQXFVSA-N 1 1 459.591 3.450 20 0 JGADMO COc1cc(OC)c(CCn2c(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)nnc2C(C)(C)C)c(OC)c1 ZINC001299925249 1065183412 /nfs/dbraw/zinc/18/34/12/1065183412.db2.gz OXEKVYBCVOQUFP-NQIIRXRSSA-N 1 1 487.645 3.001 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001299937435 1065205432 /nfs/dbraw/zinc/20/54/32/1065205432.db2.gz UMFUGQYUZYIGSO-QZTJIDSGSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001299938201 1065207111 /nfs/dbraw/zinc/20/71/11/1065207111.db2.gz XJXGPCSPPIUBCF-OKZBNKHCSA-N 1 1 461.632 3.013 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001299938201 1065207117 /nfs/dbraw/zinc/20/71/17/1065207117.db2.gz XJXGPCSPPIUBCF-OKZBNKHCSA-N 1 1 461.632 3.013 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001299945304 1065217726 /nfs/dbraw/zinc/21/77/26/1065217726.db2.gz RCHVFCRMGLVKFV-WOJBJXKFSA-N 1 1 484.645 3.319 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2C[C@@H](OC)C(C)C)c1 ZINC001299946721 1065222065 /nfs/dbraw/zinc/22/20/65/1065222065.db2.gz MPIXNXFHLYGRHM-XMMPIXPASA-N 1 1 497.644 3.079 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299950299 1065225245 /nfs/dbraw/zinc/22/52/45/1065225245.db2.gz MIAYIEVBVGJHDY-SFTDATJTSA-N 1 1 498.672 3.387 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299959557 1065240411 /nfs/dbraw/zinc/24/04/11/1065240411.db2.gz TULLJCQHSCJILE-RBUKOAKNSA-N 1 1 470.618 3.306 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001299967639 1065250530 /nfs/dbraw/zinc/25/05/30/1065250530.db2.gz UDEYWRAJKGQWEO-OAHLLOKOSA-N 1 1 493.450 3.291 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC[C@H](OC)C3)n2CCn2cc[nH+]c2C)c1 ZINC001299975418 1065269340 /nfs/dbraw/zinc/26/93/40/1065269340.db2.gz LZRQILKTTRLTAD-INIZCTEOSA-N 1 1 461.364 3.146 20 0 JGADMO COc1ccc([C@@H](C)N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001299987005 1065289375 /nfs/dbraw/zinc/28/93/75/1065289375.db2.gz NUYNNWHPRRFMRD-SMXKYELJSA-N 1 1 471.646 3.469 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(C)C)CC1 ZINC001299991199 1065295803 /nfs/dbraw/zinc/29/58/03/1065295803.db2.gz UYFXNWNRDNFIRI-NRFANRHFSA-N 1 1 486.686 3.258 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(C)C)CC1 ZINC001299991555 1065297508 /nfs/dbraw/zinc/29/75/08/1065297508.db2.gz YXNQMCDNOIZQFN-UHFFFAOYSA-N 1 1 454.619 3.199 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC001299992567 1065299574 /nfs/dbraw/zinc/29/95/74/1065299574.db2.gz PCSGCNIZEFIWOP-GHTZIAJQSA-N 1 1 484.645 3.460 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001299995605 1065303252 /nfs/dbraw/zinc/30/32/52/1065303252.db2.gz QUPWEJQMJSLNMJ-OALUTQOASA-N 1 1 477.675 3.334 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001299996351 1065305124 /nfs/dbraw/zinc/30/51/24/1065305124.db2.gz GDGRYGNKGOXRBG-SFHVURJKSA-N 1 1 472.634 3.045 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001492207933 1065321994 /nfs/dbraw/zinc/32/19/94/1065321994.db2.gz DBMFFZQBDIDIRC-QYZOEREBSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492211433 1065324426 /nfs/dbraw/zinc/32/44/26/1065324426.db2.gz NQYUDSJYWRCGCV-NFBKMPQASA-N 1 1 486.636 3.199 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001492238483 1065332350 /nfs/dbraw/zinc/33/23/50/1065332350.db2.gz RBJDJFDDJHDEMF-NRFANRHFSA-N 1 1 483.642 3.087 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001492234389 1065334911 /nfs/dbraw/zinc/33/49/11/1065334911.db2.gz DDVZYNWFBKXRPJ-PMACEKPBSA-N 1 1 452.559 3.268 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001492243986 1065342077 /nfs/dbraw/zinc/34/20/77/1065342077.db2.gz JFBJOTRSMJHVQO-ONTIZHBOSA-N 1 1 454.619 3.086 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCCOCC(F)F)cc1C ZINC001492246196 1065345252 /nfs/dbraw/zinc/34/52/52/1065345252.db2.gz CKSLVGRKHGWVFB-QUCCMNQESA-N 1 1 476.572 3.492 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001492248243 1065347208 /nfs/dbraw/zinc/34/72/08/1065347208.db2.gz QOHFSTMDTBYJOJ-SFTDATJTSA-N 1 1 481.645 3.113 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001492250717 1065350726 /nfs/dbraw/zinc/35/07/26/1065350726.db2.gz QAFPJQKRZMSDAS-VCOUNFBDSA-N 1 1 454.619 3.229 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001492254729 1065354433 /nfs/dbraw/zinc/35/44/33/1065354433.db2.gz NHARRQWOBBMQKL-STZQEDGTSA-N 1 1 495.672 3.359 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001492254731 1065355008 /nfs/dbraw/zinc/35/50/08/1065355008.db2.gz NHARRQWOBBMQKL-VLCRHTCISA-N 1 1 495.672 3.359 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001492264093 1065356991 /nfs/dbraw/zinc/35/69/91/1065356991.db2.gz DPJNVACLQHPRBU-GMAHTHKFSA-N 1 1 495.672 3.373 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)CN2CCOCC2)cc1C ZINC001492265808 1065358799 /nfs/dbraw/zinc/35/87/99/1065358799.db2.gz KEGXBTVZNIPNLX-OAQYLSRUSA-N 1 1 497.688 3.036 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(CC4CC4)CC3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492265852 1065359000 /nfs/dbraw/zinc/35/90/00/1065359000.db2.gz FREXPOGHPZZFJP-UHFFFAOYSA-N 1 1 467.662 3.410 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(CC4CC4)CC3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492265852 1065359005 /nfs/dbraw/zinc/35/90/05/1065359005.db2.gz FREXPOGHPZZFJP-UHFFFAOYSA-N 1 1 467.662 3.410 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCOCC(F)F)cc1C ZINC001492266094 1065360933 /nfs/dbraw/zinc/36/09/33/1065360933.db2.gz NSRHPFUDTIYLNY-UHFFFAOYSA-N 1 1 464.561 3.349 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2(C(N)=O)CCCC2)cc1C ZINC001492268896 1065364097 /nfs/dbraw/zinc/36/40/97/1065364097.db2.gz ZIKIKHBNJAQSHG-UHFFFAOYSA-N 1 1 481.645 3.113 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492268910 1065364182 /nfs/dbraw/zinc/36/41/82/1065364182.db2.gz ZMIMTSGNZNJBJL-IFMALSPDSA-N 1 1 481.645 3.079 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1C ZINC001492268144 1065364328 /nfs/dbraw/zinc/36/43/28/1065364328.db2.gz SVWOCDUXUOBZSZ-RXVVDRJESA-N 1 1 495.653 3.179 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)C2)nc1 ZINC001492277184 1065371921 /nfs/dbraw/zinc/37/19/21/1065371921.db2.gz VDPPJVKJIYAXHU-YADHBBJMSA-N 1 1 497.688 3.491 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)nc1 ZINC001492280288 1065373152 /nfs/dbraw/zinc/37/31/52/1065373152.db2.gz FFDQQXMRPPCPTL-PKTZIBPZSA-N 1 1 497.688 3.392 20 0 JGADMO Cc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001492282521 1065375776 /nfs/dbraw/zinc/37/57/76/1065375776.db2.gz YGKVVQUVYDJUIK-UHFFFAOYSA-N 1 1 465.577 3.416 20 0 JGADMO Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)nc1 ZINC001492283889 1065377020 /nfs/dbraw/zinc/37/70/20/1065377020.db2.gz NHMSGULMSWRZHB-HSZRJFAPSA-N 1 1 497.688 3.392 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492287807 1065381271 /nfs/dbraw/zinc/38/12/71/1065381271.db2.gz HXRHBDYNLCOBQB-FQEVSTJZSA-N 1 1 478.645 3.255 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492587862 1065383141 /nfs/dbraw/zinc/38/31/41/1065383141.db2.gz DGZNGVWTDCPENI-RPWUZVMVSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2ccn(C)n2)cc1C ZINC001492321131 1065395294 /nfs/dbraw/zinc/39/52/94/1065395294.db2.gz XHTVMGOVZHWOTC-UHFFFAOYSA-N 1 1 481.645 3.050 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001492323724 1065396904 /nfs/dbraw/zinc/39/69/04/1065396904.db2.gz WKPHMOPAVZDKAF-XMMPIXPASA-N 1 1 481.645 3.201 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001492329376 1065399670 /nfs/dbraw/zinc/39/96/70/1065399670.db2.gz KAIDVKHJYZCAAG-XMMPIXPASA-N 1 1 484.689 3.363 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001492329405 1065399758 /nfs/dbraw/zinc/39/97/58/1065399758.db2.gz GUXFNXUHQUHXRT-UHFFFAOYSA-N 1 1 458.626 3.376 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492330175 1065400972 /nfs/dbraw/zinc/40/09/72/1065400972.db2.gz QSKJLGZLNBHYSL-UHFFFAOYSA-N 1 1 486.661 3.017 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001492330175 1065400982 /nfs/dbraw/zinc/40/09/82/1065400982.db2.gz QSKJLGZLNBHYSL-UHFFFAOYSA-N 1 1 486.661 3.017 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001492338863 1065406970 /nfs/dbraw/zinc/40/69/70/1065406970.db2.gz RUVIIVYOVOAGRB-BDTNDASRSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001492340475 1065411292 /nfs/dbraw/zinc/41/12/92/1065411292.db2.gz SLMJXHQQVVQKTD-JOCHJYFZSA-N 1 1 484.689 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492353743 1065416407 /nfs/dbraw/zinc/41/64/07/1065416407.db2.gz KOZNSQYKIYENAM-RTWAWAEBSA-N 1 1 468.646 3.378 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492354148 1065418841 /nfs/dbraw/zinc/41/88/41/1065418841.db2.gz YPTXWMGYCQGKNZ-QFIPXVFZSA-N 1 1 498.672 3.067 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001492363467 1065424895 /nfs/dbraw/zinc/42/48/95/1065424895.db2.gz KGLCHEGFDHWUOD-HSZRJFAPSA-N 1 1 498.672 3.065 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1C ZINC001492383496 1065447714 /nfs/dbraw/zinc/44/77/14/1065447714.db2.gz UKPYXYNDWBECBM-UHFFFAOYSA-N 1 1 468.646 3.407 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@@H+](C)C(C)C)cc1 ZINC001492385250 1065452243 /nfs/dbraw/zinc/45/22/43/1065452243.db2.gz PAZZNOYNSUADGN-OAQYLSRUSA-N 1 1 456.635 3.199 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001492392760 1065465200 /nfs/dbraw/zinc/46/52/00/1065465200.db2.gz JKZLJYKWKZYWMB-YADHBBJMSA-N 1 1 471.646 3.324 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001492393359 1065465303 /nfs/dbraw/zinc/46/53/03/1065465303.db2.gz LOEJVYFYLWVSNM-DNQXCXABSA-N 1 1 471.646 3.384 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001492393130 1065465414 /nfs/dbraw/zinc/46/54/14/1065465414.db2.gz KYAHSPPPVSNDJP-PKOBYXMFSA-N 1 1 453.509 3.417 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492396087 1065467753 /nfs/dbraw/zinc/46/77/53/1065467753.db2.gz XQYUGPPMWBQTEU-QHCPKHFHSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492396087 1065467758 /nfs/dbraw/zinc/46/77/58/1065467758.db2.gz XQYUGPPMWBQTEU-QHCPKHFHSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492401282 1065470962 /nfs/dbraw/zinc/47/09/62/1065470962.db2.gz JBLGDFGFJLSRAW-QFIPXVFZSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492402344 1065472678 /nfs/dbraw/zinc/47/26/78/1065472678.db2.gz ROJMXJLXWNZVDS-WIYYLYMNSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(Cc3ccccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001492421239 1065482025 /nfs/dbraw/zinc/48/20/25/1065482025.db2.gz ONNNBDXDURTVFL-UHFFFAOYSA-N 1 1 477.657 3.114 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492421239 1065482036 /nfs/dbraw/zinc/48/20/36/1065482036.db2.gz ONNNBDXDURTVFL-UHFFFAOYSA-N 1 1 477.657 3.114 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492421239 1065482042 /nfs/dbraw/zinc/48/20/42/1065482042.db2.gz ONNNBDXDURTVFL-UHFFFAOYSA-N 1 1 477.657 3.114 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001492421469 1065482238 /nfs/dbraw/zinc/48/22/38/1065482238.db2.gz PODDQYHLLYZNTM-RBBKRZOGSA-N 1 1 454.619 3.317 20 0 JGADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492432265 1065489644 /nfs/dbraw/zinc/48/96/44/1065489644.db2.gz YQOPSSOXKOGKGO-NHCUHLMSSA-N 1 1 488.702 3.389 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492435766 1065489678 /nfs/dbraw/zinc/48/96/78/1065489678.db2.gz ALKWZDKFRDDWHB-IFMALSPDSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC4(CC3)NC(=O)N(C)C4=O)n2CCC[N@H+](C)C(C)C)cc1 ZINC001492460379 1065509170 /nfs/dbraw/zinc/50/91/70/1065509170.db2.gz WQPQMBWKESBLNL-UHFFFAOYSA-N 1 1 499.685 3.130 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001492462237 1065510648 /nfs/dbraw/zinc/51/06/48/1065510648.db2.gz NHYPGLDPJRAZHG-GCJKJVERSA-N 1 1 499.603 3.493 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001492462238 1065511044 /nfs/dbraw/zinc/51/10/44/1065511044.db2.gz NHYPGLDPJRAZHG-PGRDOPGGSA-N 1 1 499.603 3.493 20 0 JGADMO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@H+]1CCCC[C@H]1C ZINC001492470523 1065520663 /nfs/dbraw/zinc/52/06/63/1065520663.db2.gz RDVDSNZWOVZCBM-MOPGFXCFSA-N 1 1 460.648 3.155 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[C@H]1C ZINC001300803825 1065535556 /nfs/dbraw/zinc/53/55/56/1065535556.db2.gz KTGATRMHGPIKKN-CFCCAZDESA-N 1 1 498.853 3.289 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[C@@H]1C ZINC001300803826 1065535778 /nfs/dbraw/zinc/53/57/78/1065535778.db2.gz KTGATRMHGPIKKN-FIKMYACPSA-N 1 1 498.853 3.289 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)CC[C@@H]1C ZINC001300803827 1065535795 /nfs/dbraw/zinc/53/57/95/1065535795.db2.gz KTGATRMHGPIKKN-HLLQZAQXSA-N 1 1 498.853 3.289 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)CC[C@H]1C ZINC001300822879 1065550139 /nfs/dbraw/zinc/55/01/39/1065550139.db2.gz LEKIELQBDNFWMA-HLAWJBBLSA-N 1 1 487.649 3.459 20 0 JGADMO O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001300822303 1065550335 /nfs/dbraw/zinc/55/03/35/1065550335.db2.gz WFXBOTZYEMDDFP-VWNXMTODSA-N 1 1 455.624 3.374 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001300838896 1065574679 /nfs/dbraw/zinc/57/46/79/1065574679.db2.gz PPIXJOJIVSMBPR-GMAHTHKFSA-N 1 1 457.619 3.057 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1(C)C ZINC001300841226 1065579636 /nfs/dbraw/zinc/57/96/36/1065579636.db2.gz HLWQFMSWTAGGHC-GOTSBHOMSA-N 1 1 471.646 3.384 20 0 JGADMO CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1(C)C ZINC001300842211 1065580145 /nfs/dbraw/zinc/58/01/45/1065580145.db2.gz RHQSWWRZHJPODY-VQTJNVASSA-N 1 1 475.037 3.218 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC2CCN(CC[NH+](C)C)CC2)CC[C@@H]1C ZINC001300842927 1065580869 /nfs/dbraw/zinc/58/08/69/1065580869.db2.gz OIADFIXVQXJLLO-WIOPSUGQSA-N 1 1 484.689 3.300 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2CC2CCN(CC[NH+](C)C)CC2)CC[C@@H]1C ZINC001300842924 1065580907 /nfs/dbraw/zinc/58/09/07/1065580907.db2.gz OIADFIXVQXJLLO-DHLKQENFSA-N 1 1 484.689 3.300 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC[C@H]1C ZINC001300843320 1065581937 /nfs/dbraw/zinc/58/19/37/1065581937.db2.gz PUYRJRAVODZXSK-NJDAHSKKSA-N 1 1 488.702 3.499 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC[C@@H]1C ZINC001300843321 1065581963 /nfs/dbraw/zinc/58/19/63/1065581963.db2.gz PUYRJRAVODZXSK-PCCBWWKXSA-N 1 1 488.702 3.499 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001300844098 1065584215 /nfs/dbraw/zinc/58/42/15/1065584215.db2.gz QVKPOAZNPKUBCE-QWFCFKBJSA-N 1 1 474.675 3.251 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC[C@@H]1C ZINC001300851988 1065596935 /nfs/dbraw/zinc/59/69/35/1065596935.db2.gz ZDWZQIHVGGUQPQ-VJFDXUIRSA-N 1 1 477.694 3.415 20 0 JGADMO CO[C@@H]1COCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300855023 1065603325 /nfs/dbraw/zinc/60/33/25/1065603325.db2.gz BOUFRYIFCVMXHW-JTHBVZDNSA-N 1 1 471.646 3.100 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001300903734 1065701804 /nfs/dbraw/zinc/70/18/04/1065701804.db2.gz RHYXZHIHRAQDPJ-JOCHJYFZSA-N 1 1 468.646 3.105 20 0 JGADMO COCC(C)(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001300925691 1065723428 /nfs/dbraw/zinc/72/34/28/1065723428.db2.gz NHTLNVLASUKQID-FQEVSTJZSA-N 1 1 481.707 3.088 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300934104 1065734856 /nfs/dbraw/zinc/73/48/56/1065734856.db2.gz HLWDGXAUYCLTFZ-YLJYHZDGSA-N 1 1 478.037 3.437 20 0 JGADMO COCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001300942362 1065744626 /nfs/dbraw/zinc/74/46/26/1065744626.db2.gz LQBCTZLMABWQFB-FGZHOGPDSA-N 1 1 457.619 3.048 20 0 JGADMO COCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001300947030 1065751051 /nfs/dbraw/zinc/75/10/51/1065751051.db2.gz YUJLHYGYHXKJQA-UHFFFAOYSA-N 1 1 474.675 3.397 20 0 JGADMO COCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001300948422 1065751690 /nfs/dbraw/zinc/75/16/90/1065751690.db2.gz DNWIVPFCJCBQRY-XMMPIXPASA-N 1 1 478.037 3.484 20 0 JGADMO C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001300969443 1065778522 /nfs/dbraw/zinc/77/85/22/1065778522.db2.gz IWDJBEMXVYXHPZ-MOPGFXCFSA-N 1 1 468.639 3.081 20 0 JGADMO COC[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)OC ZINC001300998672 1065818660 /nfs/dbraw/zinc/81/86/60/1065818660.db2.gz LRMCWQWSGYYULZ-FQEVSTJZSA-N 1 1 491.702 3.484 20 0 JGADMO COC[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)OC ZINC001300998672 1065818670 /nfs/dbraw/zinc/81/86/70/1065818670.db2.gz LRMCWQWSGYYULZ-FQEVSTJZSA-N 1 1 491.702 3.484 20 0 JGADMO COC[C@H](Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001301009060 1065839446 /nfs/dbraw/zinc/83/94/46/1065839446.db2.gz BDFJECHXSXGSSZ-ODGPQVTHSA-N 1 1 481.645 3.168 20 0 JGADMO COC[C@H](Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC001301012639 1065844819 /nfs/dbraw/zinc/84/48/19/1065844819.db2.gz DZMZNBLNMNUHFQ-PKTZIBPZSA-N 1 1 450.587 3.102 20 0 JGADMO COC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC001301012632 1065845082 /nfs/dbraw/zinc/84/50/82/1065845082.db2.gz DZMZNBLNMNUHFQ-DHIUTWEWSA-N 1 1 450.587 3.102 20 0 JGADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1 ZINC001301028565 1065866864 /nfs/dbraw/zinc/86/68/64/1065866864.db2.gz UZWXFJVKKGSWDH-FQEVSTJZSA-N 1 1 452.580 3.372 20 0 JGADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1 ZINC001301028565 1065866871 /nfs/dbraw/zinc/86/68/71/1065866871.db2.gz UZWXFJVKKGSWDH-FQEVSTJZSA-N 1 1 452.580 3.372 20 0 JGADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001301031875 1065872702 /nfs/dbraw/zinc/87/27/02/1065872702.db2.gz NZDMWLSYCUGVGJ-WOJBJXKFSA-N 1 1 454.546 3.469 20 0 JGADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001301031875 1065872714 /nfs/dbraw/zinc/87/27/14/1065872714.db2.gz NZDMWLSYCUGVGJ-WOJBJXKFSA-N 1 1 454.546 3.469 20 0 JGADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001301031874 1065872913 /nfs/dbraw/zinc/87/29/13/1065872913.db2.gz NZDMWLSYCUGVGJ-VQTJNVASSA-N 1 1 454.546 3.469 20 0 JGADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001301031874 1065872930 /nfs/dbraw/zinc/87/29/30/1065872930.db2.gz NZDMWLSYCUGVGJ-VQTJNVASSA-N 1 1 454.546 3.469 20 0 JGADMO COC[C@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301043708 1065888710 /nfs/dbraw/zinc/88/87/10/1065888710.db2.gz LFBCYGKEDMRNBQ-GOSISDBHSA-N 1 1 479.597 3.266 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301045108 1065891303 /nfs/dbraw/zinc/89/13/03/1065891303.db2.gz QJRDQXRILXRZQC-ROUUACIJSA-N 1 1 452.372 3.367 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301047217 1065894495 /nfs/dbraw/zinc/89/44/95/1065894495.db2.gz HXJUQQOXIIQMLV-MRXNPFEDSA-N 1 1 457.953 3.269 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301047217 1065894517 /nfs/dbraw/zinc/89/45/17/1065894517.db2.gz HXJUQQOXIIQMLV-MRXNPFEDSA-N 1 1 457.953 3.269 20 0 JGADMO COC[C@H](F)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301056989 1065908896 /nfs/dbraw/zinc/90/88/96/1065908896.db2.gz PVLKNZXOPIDNFP-LJQANCHMSA-N 1 1 472.565 3.132 20 0 JGADMO COC[C@H](F)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301056989 1065908908 /nfs/dbraw/zinc/90/89/08/1065908908.db2.gz PVLKNZXOPIDNFP-LJQANCHMSA-N 1 1 472.565 3.132 20 0 JGADMO COC[C@@H](F)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001301070396 1065922574 /nfs/dbraw/zinc/92/25/74/1065922574.db2.gz UHJVWCNWQVOLQJ-IBGZPJMESA-N 1 1 494.606 3.126 20 0 JGADMO COC[C@H](F)Cn1c(N2CCC[C@]3(C2)C[N@H+](Cc2ccccc2)CCO3)nnc1C(C)(C)C ZINC001301083319 1065934437 /nfs/dbraw/zinc/93/44/37/1065934437.db2.gz USCAOFNRKJNFFK-PXDATVDWSA-N 1 1 459.610 3.432 20 0 JGADMO COC[C@H](F)Cn1c(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)nnc1C(C)(C)C ZINC001301083319 1065934443 /nfs/dbraw/zinc/93/44/43/1065934443.db2.gz USCAOFNRKJNFFK-PXDATVDWSA-N 1 1 459.610 3.432 20 0 JGADMO COCC1(C)CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001301098583 1065945746 /nfs/dbraw/zinc/94/57/46/1065945746.db2.gz HXZYRNIXKLVJLQ-OAQYLSRUSA-N 1 1 488.702 3.126 20 0 JGADMO CN(OCC(F)(F)F)C(=O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001301102070 1065949609 /nfs/dbraw/zinc/94/96/09/1065949609.db2.gz SRFBHHAMWTYOEI-IAGOWNOFSA-N 1 1 455.502 3.032 20 0 JGADMO C[C@@H]1OCCN(C(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)[C@@H]1C(F)(F)F ZINC001301104559 1065950813 /nfs/dbraw/zinc/95/08/13/1065950813.db2.gz RBHZSIGHTDSIGZ-SZMVWBNQSA-N 1 1 459.509 3.190 20 0 JGADMO COCc1ccc(Cn2c(N3C[C@H]([N@H+]4CCCN(C(C)=O)CC4)[C@@H](C)C3)nnc2C(C)(C)C)cc1 ZINC001301165458 1066001548 /nfs/dbraw/zinc/00/15/48/1066001548.db2.gz XBCONWFMJUMJHA-RDPSFJRHSA-N 1 1 482.673 3.149 20 0 JGADMO COCc1ccc(Cn2c(N3C[C@@H](C)[C@@H]([N@H+]4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)cc1 ZINC001301165460 1066001675 /nfs/dbraw/zinc/00/16/75/1066001675.db2.gz XBCONWFMJUMJHA-YKSBVNFPSA-N 1 1 482.673 3.149 20 0 JGADMO O=C(Nc1n[nH]cc1I)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001301170578 1066004651 /nfs/dbraw/zinc/00/46/51/1066004651.db2.gz FJDMCODVPQEWKY-ZIAGYGMSSA-N 1 1 479.347 3.325 20 0 JGADMO COCc1cccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001301172816 1066006729 /nfs/dbraw/zinc/00/67/29/1066006729.db2.gz NQXGZAZARVUNAQ-UHFFFAOYSA-N 1 1 464.614 3.006 20 0 JGADMO COCc1cccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001301172816 1066006735 /nfs/dbraw/zinc/00/67/35/1066006735.db2.gz NQXGZAZARVUNAQ-UHFFFAOYSA-N 1 1 464.614 3.006 20 0 JGADMO COCC1=CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301184139 1066013284 /nfs/dbraw/zinc/01/32/84/1066013284.db2.gz DOITXXGVOPBCEE-WIOPSUGQSA-N 1 1 461.651 3.222 20 0 JGADMO COCC1=CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001301203633 1066028083 /nfs/dbraw/zinc/02/80/83/1066028083.db2.gz IXCXSUZJPGQIPI-XPWALMASSA-N 1 1 475.678 3.336 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301239264 1066057056 /nfs/dbraw/zinc/05/70/56/1066057056.db2.gz UMDPGEFRYFTOMD-DLBZAZTESA-N 1 1 481.439 3.009 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301239268 1066057076 /nfs/dbraw/zinc/05/70/76/1066057076.db2.gz UMDPGEFRYFTOMD-IRXDYDNUSA-N 1 1 481.439 3.009 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001301240061 1066058046 /nfs/dbraw/zinc/05/80/46/1066058046.db2.gz ORWWYQORKDXWPY-UNMCSNQZSA-N 1 1 457.619 3.053 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301247424 1066064463 /nfs/dbraw/zinc/06/44/63/1066064463.db2.gz DROSRUQNPAPPES-JOCHJYFZSA-N 1 1 484.689 3.156 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301247424 1066064474 /nfs/dbraw/zinc/06/44/74/1066064474.db2.gz DROSRUQNPAPPES-JOCHJYFZSA-N 1 1 484.689 3.156 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301247424 1066064485 /nfs/dbraw/zinc/06/44/85/1066064485.db2.gz DROSRUQNPAPPES-JOCHJYFZSA-N 1 1 484.689 3.156 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301249743 1066066769 /nfs/dbraw/zinc/06/67/69/1066066769.db2.gz XOTJGGBTSPLCQG-BHIFYINESA-N 1 1 470.662 3.405 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301260764 1066075227 /nfs/dbraw/zinc/07/52/27/1066075227.db2.gz GAYSKLKYDYBCKI-QZTJIDSGSA-N 1 1 478.435 3.291 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001301262820 1066078091 /nfs/dbraw/zinc/07/80/91/1066078091.db2.gz IVSFEYPBOOFHOR-RTWAWAEBSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001301262820 1066078098 /nfs/dbraw/zinc/07/80/98/1066078098.db2.gz IVSFEYPBOOFHOR-RTWAWAEBSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001301264312 1066080235 /nfs/dbraw/zinc/08/02/35/1066080235.db2.gz GVKJAWFNAMTJJN-IAGOWNOFSA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001301264312 1066080244 /nfs/dbraw/zinc/08/02/44/1066080244.db2.gz GVKJAWFNAMTJJN-IAGOWNOFSA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301265152 1066080698 /nfs/dbraw/zinc/08/06/98/1066080698.db2.gz JOLUMDJOYUYPEH-KNQAVFIVSA-N 1 1 489.686 3.332 20 0 JGADMO COC[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301284978 1066093072 /nfs/dbraw/zinc/09/30/72/1066093072.db2.gz CHTIOWKVHKBPHS-NHCUHLMSSA-N 1 1 489.064 3.455 20 0 JGADMO COCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301287158 1066095141 /nfs/dbraw/zinc/09/51/41/1066095141.db2.gz QVBDBABIETXTBB-DEOSSOPVSA-N 1 1 498.672 3.367 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001301293260 1066098236 /nfs/dbraw/zinc/09/82/36/1066098236.db2.gz GJXUSDGEZOSFJI-WIYYLYMNSA-N 1 1 479.572 3.376 20 0 JGADMO COCC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301298708 1066105931 /nfs/dbraw/zinc/10/59/31/1066105931.db2.gz WBEHQNQPJVFIPN-OFVILXPXSA-N 1 1 463.667 3.446 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301304134 1066107658 /nfs/dbraw/zinc/10/76/58/1066107658.db2.gz JKGCHZFHTCHDLR-HOTGVXAUSA-N 1 1 454.402 3.445 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301306571 1066110311 /nfs/dbraw/zinc/11/03/11/1066110311.db2.gz GZTGFRKJTWRDRG-FQEVSTJZSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301306571 1066110319 /nfs/dbraw/zinc/11/03/19/1066110319.db2.gz GZTGFRKJTWRDRG-FQEVSTJZSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301309809 1066112431 /nfs/dbraw/zinc/11/24/31/1066112431.db2.gz VYLRKDGWUAVACV-ZCNNSNEGSA-N 1 1 487.645 3.323 20 0 JGADMO COC[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001301318413 1066116585 /nfs/dbraw/zinc/11/65/85/1066116585.db2.gz DJZXQXCDBUTBJA-PMACEKPBSA-N 1 1 464.655 3.206 20 0 JGADMO COC[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001301318416 1066116651 /nfs/dbraw/zinc/11/66/51/1066116651.db2.gz DJZXQXCDBUTBJA-WOJBJXKFSA-N 1 1 464.655 3.206 20 0 JGADMO COCC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301342860 1066133096 /nfs/dbraw/zinc/13/30/96/1066133096.db2.gz JFSCKGRMUJUKRT-BGYRXZFFSA-N 1 1 475.609 3.358 20 0 JGADMO COC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301345100 1066136001 /nfs/dbraw/zinc/13/60/01/1066136001.db2.gz FIUDSTJJSOCYJK-FGZHOGPDSA-N 1 1 484.645 3.119 20 0 JGADMO COC[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301345201 1066136643 /nfs/dbraw/zinc/13/66/43/1066136643.db2.gz VEGSGNLKAJSPRO-PMACEKPBSA-N 1 1 460.623 3.085 20 0 JGADMO COC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCO1 ZINC001301351966 1066141596 /nfs/dbraw/zinc/14/15/96/1066141596.db2.gz GGCBKNBLBJYBDO-OKZBNKHCSA-N 1 1 451.612 3.101 20 0 JGADMO COC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCO1 ZINC001301351966 1066141599 /nfs/dbraw/zinc/14/15/99/1066141599.db2.gz GGCBKNBLBJYBDO-OKZBNKHCSA-N 1 1 451.612 3.101 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301356765 1066146182 /nfs/dbraw/zinc/14/61/82/1066146182.db2.gz HNOQCATXEKIYNO-IEBWSBKVSA-N 1 1 495.466 3.399 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001301360409 1066153318 /nfs/dbraw/zinc/15/33/18/1066153318.db2.gz KBTGDIPZYZQBOH-VWLOTQADSA-N 1 1 498.716 3.368 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001301360460 1066153353 /nfs/dbraw/zinc/15/33/53/1066153353.db2.gz KWAGHBVITHQYLQ-JTAQYXEDSA-N 1 1 471.646 3.203 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001301360460 1066153356 /nfs/dbraw/zinc/15/33/56/1066153356.db2.gz KWAGHBVITHQYLQ-JTAQYXEDSA-N 1 1 471.646 3.203 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301371995 1066165966 /nfs/dbraw/zinc/16/59/66/1066165966.db2.gz DSIXGFXGSUASQT-CTNGQTDRSA-N 1 1 452.603 3.464 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2cc[nH+]c2C)CCO1 ZINC001301373114 1066167256 /nfs/dbraw/zinc/16/72/56/1066167256.db2.gz HPRQISTYBSHTCR-KRWDZBQOSA-N 1 1 493.381 3.294 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H](C)O1 ZINC001301373941 1066167702 /nfs/dbraw/zinc/16/77/02/1066167702.db2.gz HMYINVAXJOAZIZ-KSZLIROESA-N 1 1 478.435 3.432 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@@H]2C)C[C@H](C)O1 ZINC001301373939 1066167705 /nfs/dbraw/zinc/16/77/05/1066167705.db2.gz HMYINVAXJOAZIZ-BZSNNMDCSA-N 1 1 478.435 3.432 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC001301396078 1066177280 /nfs/dbraw/zinc/17/72/80/1066177280.db2.gz HICMTQXMWYRZHO-WIYYLYMNSA-N 1 1 456.566 3.233 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC001301396556 1066177719 /nfs/dbraw/zinc/17/77/19/1066177719.db2.gz LJWIEIXUOPVUEZ-IFMALSPDSA-N 1 1 471.646 3.240 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001301396892 1066177904 /nfs/dbraw/zinc/17/79/04/1066177904.db2.gz OFOZUTZGXCFQCC-FUDKSRODSA-N 1 1 456.635 3.159 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001301397711 1066178545 /nfs/dbraw/zinc/17/85/45/1066178545.db2.gz SZIMAVKZLIFBQD-OFVILXPXSA-N 1 1 478.641 3.393 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001301398006 1066179047 /nfs/dbraw/zinc/17/90/47/1066179047.db2.gz YFYSCYKDIDTWRB-IFMALSPDSA-N 1 1 459.610 3.228 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001301398365 1066179454 /nfs/dbraw/zinc/17/94/54/1066179454.db2.gz CYLYXQQLUIXNEI-GCJKJVERSA-N 1 1 473.618 3.442 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301404452 1066186420 /nfs/dbraw/zinc/18/64/20/1066186420.db2.gz FFHGRXBIDGOOJJ-VXKWHMMOSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001301408864 1066193459 /nfs/dbraw/zinc/19/34/59/1066193459.db2.gz BEFGEUCRZNYGNZ-KRWDZBQOSA-N 1 1 472.417 3.356 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001301414246 1066203589 /nfs/dbraw/zinc/20/35/89/1066203589.db2.gz MZADCVIMZVUJIW-FNAHDJPLSA-N 1 1 463.667 3.313 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301418169 1066210715 /nfs/dbraw/zinc/21/07/15/1066210715.db2.gz SHGUFTGBMUZWQF-GBXCKJPGSA-N 1 1 498.672 3.005 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301418171 1066210734 /nfs/dbraw/zinc/21/07/34/1066210734.db2.gz SHGUFTGBMUZWQF-RDPSFJRHSA-N 1 1 498.672 3.005 20 0 JGADMO COCCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301427939 1066225080 /nfs/dbraw/zinc/22/50/80/1066225080.db2.gz UOHCBXIEUMQYPC-JOCHJYFZSA-N 1 1 473.666 3.255 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001301948364 1066241883 /nfs/dbraw/zinc/24/18/83/1066241883.db2.gz QKAAOIIGMAIMSW-RBBKRZOGSA-N 1 1 474.675 3.454 20 0 JGADMO COCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301439202 1066243566 /nfs/dbraw/zinc/24/35/66/1066243566.db2.gz FXZQMUCAVLROQC-RUZDIDTESA-N 1 1 475.634 3.060 20 0 JGADMO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)C1 ZINC001301949086 1066243967 /nfs/dbraw/zinc/24/39/67/1066243967.db2.gz LFWNEQAYWLMEHR-OAQYLSRUSA-N 1 1 451.615 3.347 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301951083 1066249548 /nfs/dbraw/zinc/24/95/48/1066249548.db2.gz LUELRQRIORSFRI-BGYRXZFFSA-N 1 1 486.661 3.194 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301954713 1066258297 /nfs/dbraw/zinc/25/82/97/1066258297.db2.gz QJNAWXNDJRWNPB-VQTJNVASSA-N 1 1 488.702 3.030 20 0 JGADMO COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001301452200 1066267053 /nfs/dbraw/zinc/26/70/53/1066267053.db2.gz SJQCEXDXJQVVIF-SVBPBHIXSA-N 1 1 485.673 3.136 20 0 JGADMO COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001301452200 1066267068 /nfs/dbraw/zinc/26/70/68/1066267068.db2.gz SJQCEXDXJQVVIF-SVBPBHIXSA-N 1 1 485.673 3.136 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301453910 1066270300 /nfs/dbraw/zinc/27/03/00/1066270300.db2.gz XMNSKMXBAVBJDL-SANMLTNESA-N 1 1 481.645 3.229 20 0 JGADMO COCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301459420 1066279122 /nfs/dbraw/zinc/27/91/22/1066279122.db2.gz KNSZHQAEFSVTFF-QFQXNSOFSA-N 1 1 455.647 3.161 20 0 JGADMO COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001301460359 1066281495 /nfs/dbraw/zinc/28/14/95/1066281495.db2.gz DAMIPFFDKCTYSX-LEWJYISDSA-N 1 1 460.667 3.324 20 0 JGADMO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301982192 1066290372 /nfs/dbraw/zinc/29/03/72/1066290372.db2.gz PKTCCAYSVQLIDZ-JOCHJYFZSA-N 1 1 487.737 3.122 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001301985187 1066296680 /nfs/dbraw/zinc/29/66/80/1066296680.db2.gz YKFJYAGEMOXZOQ-ARFHVFGLSA-N 1 1 454.040 3.339 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CC=CCC1)S(C)(=O)=O ZINC001301985790 1066297692 /nfs/dbraw/zinc/29/76/92/1066297692.db2.gz BYNFAOIPCZVMEH-RBUKOAKNSA-N 1 1 468.627 3.013 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+]1CC=CCC1)S(C)(=O)=O ZINC001301985790 1066297705 /nfs/dbraw/zinc/29/77/05/1066297705.db2.gz BYNFAOIPCZVMEH-RBUKOAKNSA-N 1 1 468.627 3.013 20 0 JGADMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC001301493204 1066318178 /nfs/dbraw/zinc/31/81/78/1066318178.db2.gz BEYOOFRHJUJGOO-SFHVURJKSA-N 1 1 457.372 3.065 20 0 JGADMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC001301493204 1066318195 /nfs/dbraw/zinc/31/81/95/1066318195.db2.gz BEYOOFRHJUJGOO-SFHVURJKSA-N 1 1 457.372 3.065 20 0 JGADMO C[C@H](C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001301493731 1066318864 /nfs/dbraw/zinc/31/88/64/1066318864.db2.gz FLRVTZXSFHUKPZ-CEXWTWQISA-N 1 1 452.640 3.002 20 0 JGADMO COCCc1noc(CN(C)c2nnc(C(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)n1 ZINC001301495663 1066320661 /nfs/dbraw/zinc/32/06/61/1066320661.db2.gz NAHHTIQFUJUPMJ-UHFFFAOYSA-N 1 1 468.537 3.291 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001301997561 1066326933 /nfs/dbraw/zinc/32/69/33/1066326933.db2.gz DKGFOBOGNLDDCH-MBDNFAEBSA-N 1 1 457.619 3.451 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001301998171 1066328714 /nfs/dbraw/zinc/32/87/14/1066328714.db2.gz HOVQSPBGQHHUGV-RCCFBDPRSA-N 1 1 498.550 3.168 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001301503432 1066329259 /nfs/dbraw/zinc/32/92/59/1066329259.db2.gz LYWBDBFJUOJEMZ-NRFANRHFSA-N 1 1 455.651 3.046 20 0 JGADMO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC001301503892 1066330126 /nfs/dbraw/zinc/33/01/26/1066330126.db2.gz NFKFNLCBMVAQOU-MRXNPFEDSA-N 1 1 457.434 3.240 20 0 JGADMO COCC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301506799 1066335257 /nfs/dbraw/zinc/33/52/57/1066335257.db2.gz WLVAXARZUOIVHR-APDHKMKFSA-N 1 1 463.667 3.302 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301508283 1066337616 /nfs/dbraw/zinc/33/76/16/1066337616.db2.gz ZTMAIZGUSJJOKB-QHAWAJNXSA-N 1 1 457.619 3.316 20 0 JGADMO CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001302003874 1066339521 /nfs/dbraw/zinc/33/95/21/1066339521.db2.gz DBAOGQXFLHEEQK-FQEVSTJZSA-N 1 1 486.636 3.016 20 0 JGADMO CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302003877 1066339746 /nfs/dbraw/zinc/33/97/46/1066339746.db2.gz DBAOGQXFLHEEQK-HXUWFJFHSA-N 1 1 486.636 3.016 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301513288 1066341283 /nfs/dbraw/zinc/34/12/83/1066341283.db2.gz YCPFHFKDEGSRLC-FYYLOGMGSA-N 1 1 468.646 3.059 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302004556 1066341271 /nfs/dbraw/zinc/34/12/71/1066341271.db2.gz VFIVQXUPYYSONE-RZUBCFFCSA-N 1 1 491.702 3.278 20 0 JGADMO COCCCCCn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301537693 1066365663 /nfs/dbraw/zinc/36/56/63/1066365663.db2.gz VSVVPKDSUBKKTP-OYRHEFFESA-N 1 1 458.651 3.426 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302017246 1066367309 /nfs/dbraw/zinc/36/73/09/1066367309.db2.gz SCNYDQJNRWBCKQ-XZOQPEGZSA-N 1 1 484.689 3.330 20 0 JGADMO CC(C)(C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001302020521 1066372675 /nfs/dbraw/zinc/37/26/75/1066372675.db2.gz YBCGJYJSSKAYFT-UHFFFAOYSA-N 1 1 461.614 3.215 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1c(C)coc1C ZINC001302024580 1066381705 /nfs/dbraw/zinc/38/17/05/1066381705.db2.gz NJIGFZRQTPLSQD-JOCHJYFZSA-N 1 1 488.677 3.255 20 0 JGADMO COCCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001301564162 1066388498 /nfs/dbraw/zinc/38/84/98/1066388498.db2.gz IPYOUIRVZBTBGN-NZQKXSOJSA-N 1 1 466.634 3.328 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cccc(O)c1 ZINC001302027006 1066388894 /nfs/dbraw/zinc/38/88/94/1066388894.db2.gz XMXUTSSLTIPEGY-HBMCJLEFSA-N 1 1 487.645 3.082 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC3(C2)CCCCC3)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302034793 1066403870 /nfs/dbraw/zinc/40/38/70/1066403870.db2.gz CSMZVYPMVHEVOS-OAQYLSRUSA-N 1 1 462.683 3.189 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302040529 1066413506 /nfs/dbraw/zinc/41/35/06/1066413506.db2.gz BVDZYKVPMDHEKF-MOPGFXCFSA-N 1 1 478.037 3.187 20 0 JGADMO CC(C)(C)c1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CCC[NH+]1CCOCC1 ZINC001302043536 1066422500 /nfs/dbraw/zinc/42/25/00/1066422500.db2.gz ZAAWQRYWQCQADH-UHFFFAOYSA-N 1 1 498.441 3.198 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3ccccc3[C@@H]2C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302043642 1066423411 /nfs/dbraw/zinc/42/34/11/1066423411.db2.gz WTASTPRKWRUUDZ-QZNHQXDQSA-N 1 1 471.646 3.483 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302048142 1066431606 /nfs/dbraw/zinc/43/16/06/1066431606.db2.gz QSFXFKIJJDVPCO-FCGDIQPGSA-N 1 1 473.609 3.371 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302050638 1066435686 /nfs/dbraw/zinc/43/56/86/1066435686.db2.gz ANVJGGHDBJHZBJ-REWPJTCUSA-N 1 1 471.646 3.243 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302051246 1066437455 /nfs/dbraw/zinc/43/74/55/1066437455.db2.gz XNIVFXPMJDQBTR-RDJZCZTQSA-N 1 1 456.557 3.097 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302052315 1066440610 /nfs/dbraw/zinc/44/06/10/1066440610.db2.gz CPSBCAWVMOQVBL-NNWRFLSQSA-N 1 1 459.639 3.141 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302052953 1066443117 /nfs/dbraw/zinc/44/31/17/1066443117.db2.gz GQMLFAXGONEXHY-RZUBCFFCSA-N 1 1 490.693 3.150 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](c3nc(C)cs3)C2)n1CCn1cc[nH+]c1C ZINC001302053045 1066443720 /nfs/dbraw/zinc/44/37/20/1066443720.db2.gz HACUEBJVWPBKAW-PKOBYXMFSA-N 1 1 459.620 3.356 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001301606506 1066451508 /nfs/dbraw/zinc/45/15/08/1066451508.db2.gz BZUFBCNSZLIROV-UHFFFAOYSA-N 1 1 481.519 3.383 20 0 JGADMO COCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001301606317 1066451646 /nfs/dbraw/zinc/45/16/46/1066451646.db2.gz DLQVWIHCEYFKJC-RTWAWAEBSA-N 1 1 494.681 3.324 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001301606433 1066451769 /nfs/dbraw/zinc/45/17/69/1066451769.db2.gz AFTCBMHCXFZDCA-IBGZPJMESA-N 1 1 477.675 3.189 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001301606741 1066452333 /nfs/dbraw/zinc/45/23/33/1066452333.db2.gz DALMKSHBTDCPAM-SBUREZEXSA-N 1 1 482.000 3.090 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCCC2(CCOCC2)C1 ZINC001301607041 1066452815 /nfs/dbraw/zinc/45/28/15/1066452815.db2.gz HVCPUANRWBSQLN-UHFFFAOYSA-N 1 1 457.619 3.319 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001301607232 1066453748 /nfs/dbraw/zinc/45/37/48/1066453748.db2.gz KEXQNMAQAUFGEN-FQEVSTJZSA-N 1 1 478.519 3.229 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001301607095 1066453795 /nfs/dbraw/zinc/45/37/95/1066453795.db2.gz IWQPDCXAZVOMBJ-QFIPXVFZSA-N 1 1 478.435 3.293 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302056827 1066453764 /nfs/dbraw/zinc/45/37/64/1066453764.db2.gz VUNRAABQUPADKZ-IECBHUPTSA-N 1 1 492.690 3.033 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1Cc1cnn(C)c1C ZINC001302057278 1066454180 /nfs/dbraw/zinc/45/41/80/1066454180.db2.gz XTYLGALZNGAJCE-NNWRFLSQSA-N 1 1 473.666 3.183 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 ZINC001301607535 1066454350 /nfs/dbraw/zinc/45/43/50/1066454350.db2.gz OBWSYLFSSBUPHS-JOCHJYFZSA-N 1 1 497.644 3.480 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(F)(F)F)CC1 ZINC001301608641 1066455860 /nfs/dbraw/zinc/45/58/60/1066455860.db2.gz BMGPUWNIRJVVGQ-UHFFFAOYSA-N 1 1 493.534 3.341 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301609908 1066456871 /nfs/dbraw/zinc/45/68/71/1066456871.db2.gz KYDCJIFLLZYZRF-GOSISDBHSA-N 1 1 476.597 3.156 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001301609887 1066456945 /nfs/dbraw/zinc/45/69/45/1066456945.db2.gz KGBBMJNRHMNBJF-UHFFFAOYSA-N 1 1 480.613 3.086 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001301609891 1066456995 /nfs/dbraw/zinc/45/69/95/1066456995.db2.gz KKXOICVHUVGCIN-AUSIDOKSSA-N 1 1 468.577 3.414 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001301609487 1066457015 /nfs/dbraw/zinc/45/70/15/1066457015.db2.gz IBFHIPYGULRTDA-UHFFFAOYSA-N 1 1 467.593 3.076 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001301610771 1066458029 /nfs/dbraw/zinc/45/80/29/1066458029.db2.gz VMKXYXVRZJIWRZ-UHFFFAOYSA-N 1 1 475.037 3.016 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001301612401 1066459950 /nfs/dbraw/zinc/45/99/50/1066459950.db2.gz CEMCVNFDRBWUIR-GCJKJVERSA-N 1 1 463.573 3.121 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001301613860 1066463791 /nfs/dbraw/zinc/46/37/91/1066463791.db2.gz SFNRGBTWOAGPIE-HKBOAZHASA-N 1 1 494.681 3.180 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302066397 1066466871 /nfs/dbraw/zinc/46/68/71/1066466871.db2.gz TUQNOZXQBMLQMV-FBLLAGFSSA-N 1 1 461.651 3.297 20 0 JGADMO COCCC[N@@H+](C)CCn1c(N2CCN(c3nc4cc(C)ccc4o3)CC2)nnc1C(C)(C)C ZINC001301616919 1066466863 /nfs/dbraw/zinc/46/68/63/1066466863.db2.gz FMLJWJJKSRURDI-UHFFFAOYSA-N 1 1 469.634 3.320 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001301617530 1066468665 /nfs/dbraw/zinc/46/86/65/1066468665.db2.gz JQLJCUSRDBCTIH-WIYYLYMNSA-N 1 1 494.562 3.405 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(-n2cccn2)cc1 ZINC001302067378 1066470219 /nfs/dbraw/zinc/47/02/19/1066470219.db2.gz IHHLWNZHETWXGV-NRFANRHFSA-N 1 1 467.618 3.157 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001302069136 1066473322 /nfs/dbraw/zinc/47/33/22/1066473322.db2.gz SKEFGMFSGNVNIT-NRFANRHFSA-N 1 1 498.672 3.488 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001302069494 1066473782 /nfs/dbraw/zinc/47/37/82/1066473782.db2.gz WBTWJJWEUFMILK-IBGZPJMESA-N 1 1 472.634 3.319 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302071696 1066480532 /nfs/dbraw/zinc/48/05/32/1066480532.db2.gz PHYHXBGSEXQCPI-NHCUHLMSSA-N 1 1 492.709 3.207 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC1CCCCC1 ZINC001302071797 1066480831 /nfs/dbraw/zinc/48/08/31/1066480831.db2.gz KGDYMBXJQQTOKM-FQEVSTJZSA-N 1 1 459.639 3.028 20 0 JGADMO C/C(=C\c1ccccc1)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001301628896 1066488801 /nfs/dbraw/zinc/48/88/01/1066488801.db2.gz WKFAIFFHXNNCCE-WTKRLXQWSA-N 1 1 471.671 3.452 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@H]1CC=CCO1 ZINC001302077769 1066490025 /nfs/dbraw/zinc/49/00/25/1066490025.db2.gz CLDMZAAZURPLAQ-QKNQBKEWSA-N 1 1 461.632 3.292 20 0 JGADMO COCCCn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301630610 1066492170 /nfs/dbraw/zinc/49/21/70/1066492170.db2.gz MCCWTSPIIIMXCV-UHFFFAOYSA-N 1 1 472.453 3.353 20 0 JGADMO COCCCn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301630610 1066492178 /nfs/dbraw/zinc/49/21/78/1066492178.db2.gz MCCWTSPIIIMXCV-UHFFFAOYSA-N 1 1 472.453 3.353 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301635397 1066498704 /nfs/dbraw/zinc/49/87/04/1066498704.db2.gz PTKJGQXLYPTDCV-NRFANRHFSA-N 1 1 453.635 3.155 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301635376 1066498793 /nfs/dbraw/zinc/49/87/93/1066498793.db2.gz PFUOOYMQZBHPKI-FQEVSTJZSA-N 1 1 455.651 3.385 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001302088384 1066514090 /nfs/dbraw/zinc/51/40/90/1066514090.db2.gz DBDLYCFYOOJKJF-AQNXPRMDSA-N 1 1 463.648 3.201 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccn3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301648946 1066514491 /nfs/dbraw/zinc/51/44/91/1066514491.db2.gz GCKZPRPBRCPQAK-XJUOHMSHSA-N 1 1 469.678 3.346 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@]1(O)CCC[C@H]1C ZINC001302089175 1066515640 /nfs/dbraw/zinc/51/56/40/1066515640.db2.gz LGKZNGLUSVWRLO-UXGLMHHASA-N 1 1 471.646 3.264 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@]1(O)CCC[C@@H]1C ZINC001302089173 1066515674 /nfs/dbraw/zinc/51/56/74/1066515674.db2.gz LGKZNGLUSVWRLO-IFOBJOEFSA-N 1 1 471.646 3.264 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001302089720 1066516655 /nfs/dbraw/zinc/51/66/55/1066516655.db2.gz QNQXHECKBMKWTF-MJGOQNOKSA-N 1 1 482.000 3.144 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301650693 1066517278 /nfs/dbraw/zinc/51/72/78/1066517278.db2.gz PTFIMNKMTDRUEO-TZIWHRDSSA-N 1 1 489.064 3.404 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccc(F)c(COC)c1 ZINC001302093462 1066521227 /nfs/dbraw/zinc/52/12/27/1066521227.db2.gz VMGFRBCQBNLNQE-GHTZIAJQSA-N 1 1 461.582 3.010 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302093557 1066521701 /nfs/dbraw/zinc/52/17/01/1066521701.db2.gz WLZFPGXEAXULNC-QHAWAJNXSA-N 1 1 494.681 3.226 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001302094334 1066522816 /nfs/dbraw/zinc/52/28/16/1066522816.db2.gz AIWANZMERWXBCL-NRFANRHFSA-N 1 1 494.606 3.265 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001301656370 1066525321 /nfs/dbraw/zinc/52/53/21/1066525321.db2.gz ZISYLXITRYNRTP-GOSISDBHSA-N 1 1 495.455 3.279 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1(O)CCCCCC1 ZINC001302096145 1066526560 /nfs/dbraw/zinc/52/65/60/1066526560.db2.gz PECNAPQRQUNTTO-JOCHJYFZSA-N 1 1 485.673 3.223 20 0 JGADMO CC(C)(C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302096664 1066527671 /nfs/dbraw/zinc/52/76/71/1066527671.db2.gz MZNPYZKGNHPRDC-INIZCTEOSA-N 1 1 469.556 3.048 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CC=CCC1 ZINC001302096853 1066528051 /nfs/dbraw/zinc/52/80/51/1066528051.db2.gz WEXRVHCXUFUGGI-VXKWHMMOSA-N 1 1 453.631 3.494 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCc1ccsc1 ZINC001302097018 1066528704 /nfs/dbraw/zinc/52/87/04/1066528704.db2.gz YMALZBIIANVUNG-OAQYLSRUSA-N 1 1 469.655 3.442 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001301660984 1066531465 /nfs/dbraw/zinc/53/14/65/1066531465.db2.gz NVDPQBASKGXCMO-XMMPIXPASA-N 1 1 482.673 3.258 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302100245 1066533441 /nfs/dbraw/zinc/53/34/41/1066533441.db2.gz XKOTVOMLQVDSGD-NJYVYQBISA-N 1 1 451.656 3.374 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301663123 1066535799 /nfs/dbraw/zinc/53/57/99/1066535799.db2.gz ICMBPIMXGMBPKK-ICSRJNTNSA-N 1 1 474.600 3.184 20 0 JGADMO CC(=O)N1CCC(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001301664500 1066538637 /nfs/dbraw/zinc/53/86/37/1066538637.db2.gz NHAAKYWVGXCNEY-UHFFFAOYSA-N 1 1 495.672 3.326 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302105814 1066540984 /nfs/dbraw/zinc/54/09/84/1066540984.db2.gz QNFRGPUOTKTRHF-CEXWTWQISA-N 1 1 469.696 3.222 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301666510 1066543150 /nfs/dbraw/zinc/54/31/50/1066543150.db2.gz TYBMKVSZTMNZSU-ZJSXRUAMSA-N 1 1 475.641 3.089 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302110608 1066550073 /nfs/dbraw/zinc/55/00/73/1066550073.db2.gz FOZAICBHCJWVJC-VXKWHMMOSA-N 1 1 495.734 3.473 20 0 JGADMO COCCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301681379 1066564067 /nfs/dbraw/zinc/56/40/67/1066564067.db2.gz BLFUGZQJQMJOJH-UHFFFAOYSA-N 1 1 463.026 3.066 20 0 JGADMO CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001301686856 1066572094 /nfs/dbraw/zinc/57/20/94/1066572094.db2.gz NDNHECIBOKCOPO-AOHZBQACSA-N 1 1 487.737 3.120 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001301690908 1066578046 /nfs/dbraw/zinc/57/80/46/1066578046.db2.gz KGYFVPRJCQOMDB-UHFFFAOYSA-N 1 1 470.021 3.288 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001301696325 1066584392 /nfs/dbraw/zinc/58/43/92/1066584392.db2.gz MTQAJSHDUDCGAL-AWEZNQCLSA-N 1 1 481.464 3.310 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001301696646 1066585470 /nfs/dbraw/zinc/58/54/70/1066585470.db2.gz RFXNWPPHDNMTHN-MRXNPFEDSA-N 1 1 481.428 3.031 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001301696646 1066585481 /nfs/dbraw/zinc/58/54/81/1066585481.db2.gz RFXNWPPHDNMTHN-MRXNPFEDSA-N 1 1 481.428 3.031 20 0 JGADMO COCCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302140216 1066587945 /nfs/dbraw/zinc/58/79/45/1066587945.db2.gz HBICPOWZZJCXAP-OAQYLSRUSA-N 1 1 457.619 3.166 20 0 JGADMO COCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCCn1cc[nH+]c1C ZINC001301700211 1066589211 /nfs/dbraw/zinc/58/92/11/1066589211.db2.gz LWKFRDRCLZXAIW-UHFFFAOYSA-N 1 1 475.638 3.461 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301703842 1066592386 /nfs/dbraw/zinc/59/23/86/1066592386.db2.gz IGFYGMXQDSMLOQ-YADHBBJMSA-N 1 1 468.646 3.345 20 0 JGADMO CC(=O)N1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301705574 1066595181 /nfs/dbraw/zinc/59/51/81/1066595181.db2.gz KRRREPNRWHOTLW-QHCPKHFHSA-N 1 1 468.646 3.079 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1CCS(C)(=O)=O ZINC001302146882 1066596080 /nfs/dbraw/zinc/59/60/80/1066596080.db2.gz YAMMMXODMUHIOH-UHFFFAOYSA-N 1 1 473.687 3.404 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001301707325 1066597742 /nfs/dbraw/zinc/59/77/42/1066597742.db2.gz BWTMRDIGSNQRKL-AKIFATBCSA-N 1 1 474.694 3.304 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4ccsc4)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301707682 1066598147 /nfs/dbraw/zinc/59/81/47/1066598147.db2.gz FAHBHPJWSSKQIR-OFNKIYASSA-N 1 1 488.702 3.124 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001301708191 1066599105 /nfs/dbraw/zinc/59/91/05/1066599105.db2.gz JIXVPIISZWBDJJ-NFBKMPQASA-N 1 1 469.678 3.489 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001302149269 1066599683 /nfs/dbraw/zinc/59/96/83/1066599683.db2.gz ZOMZFTFBFAIOSC-LPHOPBHVSA-N 1 1 495.466 3.161 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCOc3ccccc3)C[C@@H]2C)CC1 ZINC001301708296 1066599905 /nfs/dbraw/zinc/59/99/05/1066599905.db2.gz KVVNWQHAKNDLJJ-XUZZJYLKSA-N 1 1 468.646 3.250 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)Oc3ccccc3F)C[C@@H]2C)CC1 ZINC001301708284 1066600126 /nfs/dbraw/zinc/60/01/26/1066600126.db2.gz KTWABRMWDZVYRF-MIZPHKNDSA-N 1 1 486.636 3.387 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302150087 1066600896 /nfs/dbraw/zinc/60/08/96/1066600896.db2.gz CSFFEUJNBKXRCB-IFMALSPDSA-N 1 1 456.635 3.482 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3CCCCS3)C[C@H]2C)CC1 ZINC001301709376 1066602723 /nfs/dbraw/zinc/60/27/23/1066602723.db2.gz UQTJDSIRTPBQSX-CEMLEFRQSA-N 1 1 462.708 3.141 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301709602 1066603515 /nfs/dbraw/zinc/60/35/15/1066603515.db2.gz UVHILTQHJRXZKH-FUHWJXTLSA-N 1 1 458.573 3.297 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001301710162 1066604084 /nfs/dbraw/zinc/60/40/84/1066604084.db2.gz DFVJRSXYHZEBBH-JTHBVZDNSA-N 1 1 484.645 3.121 20 0 JGADMO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301711500 1066606653 /nfs/dbraw/zinc/60/66/53/1066606653.db2.gz IOOCKLJJWUWTBD-NRFANRHFSA-N 1 1 481.645 3.080 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001301712337 1066608572 /nfs/dbraw/zinc/60/85/72/1066608572.db2.gz CMIKAAWGCSTXCV-WOJBJXKFSA-N 1 1 452.603 3.384 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301712553 1066608630 /nfs/dbraw/zinc/60/86/30/1066608630.db2.gz DGRJKDDRWDBNOP-SFHVURJKSA-N 1 1 494.040 3.065 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001301712965 1066609810 /nfs/dbraw/zinc/60/98/10/1066609810.db2.gz HMXDOWCJKVSHCV-IYBDPMFKSA-N 1 1 451.413 3.096 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C)C1 ZINC001301712996 1066610358 /nfs/dbraw/zinc/61/03/58/1066610358.db2.gz HYZVTJIEVCRZEM-OAHLLOKOSA-N 1 1 470.387 3.040 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001301713256 1066611133 /nfs/dbraw/zinc/61/11/33/1066611133.db2.gz JLRXFKMEYJNHBM-JOCHJYFZSA-N 1 1 495.466 3.021 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001301713292 1066611606 /nfs/dbraw/zinc/61/16/06/1066611606.db2.gz KGWCFGBNYAARAB-UGKGYDQZSA-N 1 1 475.659 3.086 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001301713381 1066612353 /nfs/dbraw/zinc/61/23/53/1066612353.db2.gz LBSWGGPKITXPPL-IFMALSPDSA-N 1 1 489.686 3.333 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302157638 1066613636 /nfs/dbraw/zinc/61/36/36/1066613636.db2.gz RWFOAUOOUKDRTA-IBGZPJMESA-N 1 1 461.557 3.041 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001301714815 1066616670 /nfs/dbraw/zinc/61/66/70/1066616670.db2.gz YURRPOBFXCXADQ-HXUWFJFHSA-N 1 1 483.480 3.337 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001301717557 1066619351 /nfs/dbraw/zinc/61/93/51/1066619351.db2.gz QARZJTDZTOILKT-UHFFFAOYSA-N 1 1 468.646 3.285 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001301717774 1066619460 /nfs/dbraw/zinc/61/94/60/1066619460.db2.gz UHPMFNAQQLMCNC-RUZDIDTESA-N 1 1 473.618 3.284 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C ZINC001301718114 1066619821 /nfs/dbraw/zinc/61/98/21/1066619821.db2.gz BOEYGENMWCSSIQ-NHCUHLMSSA-N 1 1 494.681 3.180 20 0 JGADMO COCC[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001301718225 1066620726 /nfs/dbraw/zinc/62/07/26/1066620726.db2.gz FFVYCXWRSJJSTK-UHFFFAOYSA-N 1 1 491.080 3.451 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)C(C)C)C1 ZINC001302162307 1066621685 /nfs/dbraw/zinc/62/16/85/1066621685.db2.gz JFGSTFLBWNQALQ-LJQANCHMSA-N 1 1 466.424 3.290 20 0 JGADMO COCC[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001301719641 1066621836 /nfs/dbraw/zinc/62/18/36/1066621836.db2.gz TYHFJBVGNWQNKF-UHFFFAOYSA-N 1 1 462.683 3.064 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301720229 1066622548 /nfs/dbraw/zinc/62/25/48/1066622548.db2.gz ALPUGIWQFNEJMR-UHFFFAOYSA-N 1 1 476.572 3.337 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001301720235 1066622591 /nfs/dbraw/zinc/62/25/91/1066622591.db2.gz BSUJPTCHMPIHRG-NQIIRXRSSA-N 1 1 467.445 3.252 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001301720204 1066622633 /nfs/dbraw/zinc/62/26/33/1066622633.db2.gz BKUMYVBBULCQHS-YTFSRNRJSA-N 1 1 477.694 3.418 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301720248 1066622650 /nfs/dbraw/zinc/62/26/50/1066622650.db2.gz ARKFUFDMTVWTPF-KRWDZBQOSA-N 1 1 475.435 3.108 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001302163790 1066624036 /nfs/dbraw/zinc/62/40/36/1066624036.db2.gz RBCCTQYJBAWCJM-VXKWHMMOSA-N 1 1 452.647 3.133 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001301720701 1066624174 /nfs/dbraw/zinc/62/41/74/1066624174.db2.gz BJHYWOYGWYYNCZ-UHFFFAOYSA-N 1 1 458.010 3.294 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001301721037 1066625511 /nfs/dbraw/zinc/62/55/11/1066625511.db2.gz FCHQIYJHMPKWPF-QUCCMNQESA-N 1 1 465.545 3.130 20 0 JGADMO COCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001301721056 1066625561 /nfs/dbraw/zinc/62/55/61/1066625561.db2.gz HTAVTDLDZIAVBA-OALUTQOASA-N 1 1 460.648 3.056 20 0 JGADMO COCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001301721512 1066626806 /nfs/dbraw/zinc/62/68/06/1066626806.db2.gz KYLGJZFZWOHPNW-HXUWFJFHSA-N 1 1 466.586 3.312 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cn2ccc3ccccc32)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001301721529 1066626849 /nfs/dbraw/zinc/62/68/49/1066626849.db2.gz LDOVFWLHWPARDT-FQEVSTJZSA-N 1 1 454.619 3.253 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301722391 1066630351 /nfs/dbraw/zinc/63/03/51/1066630351.db2.gz OUXCKUWGPUETCU-URKHTJIESA-N 1 1 471.646 3.210 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001301723072 1066631690 /nfs/dbraw/zinc/63/16/90/1066631690.db2.gz VCAWIAIIBPTWOG-NTKDMRAZSA-N 1 1 461.582 3.142 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(F)(F)F ZINC001301723164 1066633480 /nfs/dbraw/zinc/63/34/80/1066633480.db2.gz XOUYZRWQCXDESO-UHFFFAOYSA-N 1 1 468.293 3.423 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C2CCC1(C)CC2 ZINC001301723117 1066633624 /nfs/dbraw/zinc/63/36/24/1066633624.db2.gz WIISNBJNSMXXRK-UHFFFAOYSA-N 1 1 451.413 3.146 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001301723080 1066633682 /nfs/dbraw/zinc/63/36/82/1066633682.db2.gz VIVTYFXNPZRZQD-MSOLQXFVSA-N 1 1 495.466 3.257 20 0 JGADMO COCCOC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302169290 1066637708 /nfs/dbraw/zinc/63/77/08/1066637708.db2.gz NCQJEYBAQQOQPY-UHFFFAOYSA-N 1 1 496.027 3.480 20 0 JGADMO COCCOC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302169290 1066637711 /nfs/dbraw/zinc/63/77/11/1066637711.db2.gz NCQJEYBAQQOQPY-UHFFFAOYSA-N 1 1 496.027 3.480 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001301725417 1066639676 /nfs/dbraw/zinc/63/96/76/1066639676.db2.gz FXBCJVTYJGMLGF-UHFFFAOYSA-N 1 1 481.016 3.011 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCCC2)C1 ZINC001301725667 1066640212 /nfs/dbraw/zinc/64/02/12/1066640212.db2.gz IFYWKODXGLBHIR-UHFFFAOYSA-N 1 1 484.464 3.497 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001302171634 1066641100 /nfs/dbraw/zinc/64/11/00/1066641100.db2.gz AKEYQJGUKYQYPC-JOCHJYFZSA-N 1 1 457.619 3.317 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001301725783 1066641026 /nfs/dbraw/zinc/64/10/26/1066641026.db2.gz SEDJEMTYINFVGO-UHFFFAOYSA-N 1 1 468.646 3.022 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC001301726402 1066642884 /nfs/dbraw/zinc/64/28/84/1066642884.db2.gz RWDQPEOJXOHQDH-LJQANCHMSA-N 1 1 490.008 3.261 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001301726401 1066643014 /nfs/dbraw/zinc/64/30/14/1066643014.db2.gz RWDQPEOJXOHQDH-IBGZPJMESA-N 1 1 490.008 3.261 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001301726626 1066643786 /nfs/dbraw/zinc/64/37/86/1066643786.db2.gz WLDMDHPVJCGYHE-UHFFFAOYSA-N 1 1 476.622 3.260 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001301727907 1066646542 /nfs/dbraw/zinc/64/65/42/1066646542.db2.gz OGGGKODWHGBVIT-OAHLLOKOSA-N 1 1 484.414 3.429 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001301730495 1066649082 /nfs/dbraw/zinc/64/90/82/1066649082.db2.gz AUDHUHZHZZSUFI-AQNXPRMDSA-N 1 1 476.666 3.063 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(C)C)CC1 ZINC001301730472 1066649142 /nfs/dbraw/zinc/64/91/42/1066649142.db2.gz AAZJMYKHUFXVGX-UHFFFAOYSA-N 1 1 453.591 3.045 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001301730570 1066649236 /nfs/dbraw/zinc/64/92/36/1066649236.db2.gz CLUZYPDQIBHOLC-UHFFFAOYSA-N 1 1 460.667 3.133 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(OC)c(C)cc2C1 ZINC001301730609 1066649275 /nfs/dbraw/zinc/64/92/75/1066649275.db2.gz WRJQVLBGBZORCC-UHFFFAOYSA-N 1 1 450.587 3.106 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(c2nccs2)CC1 ZINC001301732692 1066652149 /nfs/dbraw/zinc/65/21/49/1066652149.db2.gz BUDZVOIHUKJQKU-UHFFFAOYSA-N 1 1 490.077 3.274 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001302177686 1066653119 /nfs/dbraw/zinc/65/31/19/1066653119.db2.gz YEZATVZQHKLTHR-HXUWFJFHSA-N 1 1 478.682 3.473 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001301732915 1066653335 /nfs/dbraw/zinc/65/33/35/1066653335.db2.gz XEWXRKUAONGHBZ-FQEVSTJZSA-N 1 1 451.974 3.494 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001301735334 1066657300 /nfs/dbraw/zinc/65/73/00/1066657300.db2.gz YPHBGNVSATXZNY-UHFFFAOYSA-N 1 1 463.070 3.421 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301736899 1066658657 /nfs/dbraw/zinc/65/86/57/1066658657.db2.gz QDNXMXPCUUQMMT-JOCHJYFZSA-N 1 1 471.005 3.073 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001301737125 1066659451 /nfs/dbraw/zinc/65/94/51/1066659451.db2.gz UTIIXEKMAVIPSB-KRWDZBQOSA-N 1 1 456.541 3.244 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001301739531 1066660003 /nfs/dbraw/zinc/66/00/03/1066660003.db2.gz AIRGGGAARSGGPU-OALUTQOASA-N 1 1 466.671 3.283 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C)o1 ZINC001301739619 1066660700 /nfs/dbraw/zinc/66/07/00/1066660700.db2.gz CBEZXVGBKSTXHB-FQEVSTJZSA-N 1 1 476.622 3.466 20 0 JGADMO COCCOC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001302184857 1066662699 /nfs/dbraw/zinc/66/26/99/1066662699.db2.gz PRRRMSNXEPQBNL-NRFANRHFSA-N 1 1 470.662 3.406 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)OC1CCCC1 ZINC001301741980 1066664369 /nfs/dbraw/zinc/66/43/69/1066664369.db2.gz SVXJHWNBAGDOAX-IBGZPJMESA-N 1 1 466.627 3.239 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001302190709 1066672125 /nfs/dbraw/zinc/67/21/25/1066672125.db2.gz AUIBKPRHZQMCHG-UHFFFAOYSA-N 1 1 481.066 3.129 20 0 JGADMO COCCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[C@H](C)C1 ZINC001301747832 1066675840 /nfs/dbraw/zinc/67/58/40/1066675840.db2.gz GNISTJZCSXETCB-KEZQHZCBSA-N 1 1 473.666 3.208 20 0 JGADMO COCCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)[NH+]1CCOCC1)[C@H]1CC[C@@H](C)C1 ZINC001301748251 1066676695 /nfs/dbraw/zinc/67/66/95/1066676695.db2.gz KCGDTQCXNPEJLE-HKBOAZHASA-N 1 1 457.619 3.316 20 0 JGADMO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001301748439 1066676754 /nfs/dbraw/zinc/67/67/54/1066676754.db2.gz FXYNSZZRHWEFPE-ZLNRFVROSA-N 1 1 496.700 3.398 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001301750006 1066679065 /nfs/dbraw/zinc/67/90/65/1066679065.db2.gz OBUOCCDERRMVEF-GGAORHGYSA-N 1 1 492.672 3.107 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001302194512 1066681483 /nfs/dbraw/zinc/68/14/83/1066681483.db2.gz FTYKIIJIKYIGQW-UHFFFAOYSA-N 1 1 494.575 3.014 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC001301751060 1066681711 /nfs/dbraw/zinc/68/17/11/1066681711.db2.gz WZIGRJDXCBQIBN-FDFHNCONSA-N 1 1 498.672 3.110 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC001301755839 1066686920 /nfs/dbraw/zinc/68/69/20/1066686920.db2.gz DWKMYFNGJLZXAH-AVRDEDQJSA-N 1 1 472.609 3.174 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CC1 ZINC001302200641 1066694652 /nfs/dbraw/zinc/69/46/52/1066694652.db2.gz QCFULBUBUVWFCV-FQEVSTJZSA-N 1 1 481.707 3.230 20 0 JGADMO COCCN(c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCOCC1(C)C)[C@H]1CC[C@H](C)C1 ZINC001301760056 1066697236 /nfs/dbraw/zinc/69/72/36/1066697236.db2.gz ZADSODGUXWEJLV-UNMCSNQZSA-N 1 1 456.635 3.016 20 0 JGADMO COCCN(c1nnc(Cc2ccncc2)n1CC[N@H+]1CCOCC1(C)C)[C@H]1CC[C@H](C)C1 ZINC001301760056 1066697239 /nfs/dbraw/zinc/69/72/39/1066697239.db2.gz ZADSODGUXWEJLV-UNMCSNQZSA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)(C)[NH+]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CC1 ZINC001302202941 1066698535 /nfs/dbraw/zinc/69/85/35/1066698535.db2.gz LOVQQXVWKTUCIN-UHFFFAOYSA-N 1 1 479.595 3.126 20 0 JGADMO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCOCC2)CC1 ZINC001302202906 1066698752 /nfs/dbraw/zinc/69/87/52/1066698752.db2.gz LACSUXHTCVTEDD-UHFFFAOYSA-N 1 1 458.626 3.041 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](C)c3nccs3)C[C@@H]2C)CC1 ZINC001301762620 1066701214 /nfs/dbraw/zinc/70/12/14/1066701214.db2.gz CGKGXOIFIHJRKD-NLWGTHIKSA-N 1 1 473.691 3.116 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)C(C)C)C[C@@H]2C)CC1 ZINC001301763156 1066702545 /nfs/dbraw/zinc/70/25/45/1066702545.db2.gz FMSITCRJLURZEX-CVDCTZTESA-N 1 1 467.662 3.320 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)c3nc(C)cs3)C[C@@H]2C)CC1 ZINC001301764674 1066705390 /nfs/dbraw/zinc/70/53/90/1066705390.db2.gz JUZWRHBNTWBKLR-BBTUJRGHSA-N 1 1 473.691 3.034 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccsc4)n3CCCC(C)C)C[C@@H]2C)CC1 ZINC001301764756 1066706163 /nfs/dbraw/zinc/70/61/63/1066706163.db2.gz KQAPEUKWZGPIIF-SIKLNZKXSA-N 1 1 458.676 3.355 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001301767258 1066709125 /nfs/dbraw/zinc/70/91/25/1066709125.db2.gz QBAOVFYSCPTBOA-YJBOKZPZSA-N 1 1 481.979 3.028 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCCO[C@@H]3C(C)(C)C)C[C@H]2C)CC1 ZINC001301767167 1066709219 /nfs/dbraw/zinc/70/92/19/1066709219.db2.gz PMMDCBNKMLTBEH-SJHORNLWSA-N 1 1 488.721 3.307 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCSCC(C)C)C[C@H]2C)CC1 ZINC001301767210 1066709319 /nfs/dbraw/zinc/70/93/19/1066709319.db2.gz PTEJLQTVOUEEDA-AUSIDOKSSA-N 1 1 485.702 3.027 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC(F)(F)C3)C[C@@H]2C)CC1 ZINC001301767561 1066709897 /nfs/dbraw/zinc/70/98/97/1066709897.db2.gz QVHRZOXHLNISBP-YSIASYRMSA-N 1 1 466.621 3.291 20 0 JGADMO CC(C)(C)NC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)CC1 ZINC001302211313 1066711629 /nfs/dbraw/zinc/71/16/29/1066711629.db2.gz NKSVKATWGZTYOT-UHFFFAOYSA-N 1 1 473.691 3.326 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccccc4C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301768608 1066711558 /nfs/dbraw/zinc/71/15/58/1066711558.db2.gz XQERNBOYQXITHS-OZXSUGGESA-N 1 1 496.700 3.229 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3c(C)cc(C)cc3C)C[C@H]2C)CC1 ZINC001301768594 1066711853 /nfs/dbraw/zinc/71/18/53/1066711853.db2.gz XPMLKUYREXJDOB-QPPBQGQZSA-N 1 1 452.647 3.364 20 0 JGADMO COCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001302219847 1066723357 /nfs/dbraw/zinc/72/33/57/1066723357.db2.gz HVACJBJJGOLJNL-KRWDZBQOSA-N 1 1 482.398 3.184 20 0 JGADMO CC(=O)Nc1ccc(CCn2c(-c3cnccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001301777286 1066723822 /nfs/dbraw/zinc/72/38/22/1066723822.db2.gz SURNZUHWQOOILG-UHFFFAOYSA-N 1 1 462.602 3.247 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC(F)(F)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302221573 1066728146 /nfs/dbraw/zinc/72/81/46/1066728146.db2.gz FLUHJVMFYHATCA-GOSISDBHSA-N 1 1 466.577 3.500 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC(F)(F)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302221574 1066728198 /nfs/dbraw/zinc/72/81/98/1066728198.db2.gz FLUHJVMFYHATCA-SFHVURJKSA-N 1 1 466.577 3.500 20 0 JGADMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 ZINC001301781491 1066731025 /nfs/dbraw/zinc/73/10/25/1066731025.db2.gz DXSZOUVQQVUYAJ-QHCPKHFHSA-N 1 1 455.624 3.103 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001301788807 1066738449 /nfs/dbraw/zinc/73/84/49/1066738449.db2.gz RTTWLMCQAVRVAS-UHFFFAOYSA-N 1 1 491.640 3.065 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301795215 1066745795 /nfs/dbraw/zinc/74/57/95/1066745795.db2.gz FXZKNWFYWORRBF-JSRJAPPDSA-N 1 1 496.660 3.073 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCC(F)(F)F ZINC001302230779 1066746042 /nfs/dbraw/zinc/74/60/42/1066746042.db2.gz BSUBNFDGCPKHTO-SJORKVTESA-N 1 1 488.555 3.213 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCC(F)(F)F ZINC001302230779 1066746049 /nfs/dbraw/zinc/74/60/49/1066746049.db2.gz BSUBNFDGCPKHTO-SJORKVTESA-N 1 1 488.555 3.213 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCOC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302233034 1066751158 /nfs/dbraw/zinc/75/11/58/1066751158.db2.gz QHAJMELPGUBGOS-IBGZPJMESA-N 1 1 492.665 3.076 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301807468 1066760991 /nfs/dbraw/zinc/76/09/91/1066760991.db2.gz HHYTUFRSVXJLGM-OVESXRPUSA-N 1 1 460.667 3.176 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001302241924 1066767929 /nfs/dbraw/zinc/76/79/29/1066767929.db2.gz ZBOIMKWXCUAEEJ-GOSISDBHSA-N 1 1 491.036 3.424 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@H]1CCCCS1 ZINC001302244689 1066773504 /nfs/dbraw/zinc/77/35/04/1066773504.db2.gz XVQQGHDUFMTBON-ACRUOGEOSA-N 1 1 481.707 3.082 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301819566 1066781134 /nfs/dbraw/zinc/78/11/34/1066781134.db2.gz VNGLYIOBVWEHSC-SVMVAKDDSA-N 1 1 475.037 3.203 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CCC[NH+]1CCOCC1 ZINC001302249462 1066783537 /nfs/dbraw/zinc/78/35/37/1066783537.db2.gz CFFQFCLYSNOBAX-FPOVZHCZSA-N 1 1 497.562 3.380 20 0 JGADMO COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001301822301 1066784055 /nfs/dbraw/zinc/78/40/55/1066784055.db2.gz GVIMCQDGXAXUFZ-MRXNPFEDSA-N 1 1 459.392 3.393 20 0 JGADMO COCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301825828 1066788774 /nfs/dbraw/zinc/78/87/74/1066788774.db2.gz VUCRGXFPPZZESU-CABCVRRESA-N 1 1 450.381 3.036 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301837022 1066808787 /nfs/dbraw/zinc/80/87/87/1066808787.db2.gz XDSBVLQKTUMKEJ-MRXNPFEDSA-N 1 1 492.466 3.405 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301839387 1066810496 /nfs/dbraw/zinc/81/04/96/1066810496.db2.gz NUKBPJJNNWNXAB-IAGOWNOFSA-N 1 1 460.026 3.219 20 0 JGADMO COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301841156 1066812513 /nfs/dbraw/zinc/81/25/13/1066812513.db2.gz HVBGTALNYNTCDM-SZPZYZBQSA-N 1 1 471.646 3.446 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302268570 1066826588 /nfs/dbraw/zinc/82/65/88/1066826588.db2.gz CTXKQLCDAKYUBY-LRSLUSHPSA-N 1 1 463.667 3.375 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302276220 1066842428 /nfs/dbraw/zinc/84/24/28/1066842428.db2.gz BZRWDFTWQFEPNF-UXHICEINSA-N 1 1 492.665 3.124 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302276220 1066842433 /nfs/dbraw/zinc/84/24/33/1066842433.db2.gz BZRWDFTWQFEPNF-UXHICEINSA-N 1 1 492.665 3.124 20 0 JGADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(I)cc1O ZINC001302280432 1066848760 /nfs/dbraw/zinc/84/87/60/1066848760.db2.gz DNNOKXUOMTYEQX-HOCLYGCPSA-N 1 1 450.320 3.495 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301862938 1066850314 /nfs/dbraw/zinc/85/03/14/1066850314.db2.gz DTJZXKVWCAWNMX-ACIOBRDBSA-N 1 1 460.667 3.037 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301863234 1066850818 /nfs/dbraw/zinc/85/08/18/1066850818.db2.gz GHOTZMIPTMABSL-HJNYFJLDSA-N 1 1 460.667 3.383 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001301863668 1066852044 /nfs/dbraw/zinc/85/20/44/1066852044.db2.gz AITLCLUZFDNMGI-DYCBMTEISA-N 1 1 457.615 3.287 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CCCO)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302285016 1066855709 /nfs/dbraw/zinc/85/57/09/1066855709.db2.gz XCLJOKWTYXKYPL-SQOUVECCSA-N 1 1 463.667 3.111 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCc2cn[nH]c2)C1 ZINC001302290878 1066870043 /nfs/dbraw/zinc/87/00/43/1066870043.db2.gz WNXHIJMHPAOCIP-BGYRXZFFSA-N 1 1 486.665 3.325 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2cc(Br)ccc2F)CC1 ZINC001301874405 1066874835 /nfs/dbraw/zinc/87/48/35/1066874835.db2.gz IFHCJUJLICDGPF-UHFFFAOYSA-N 1 1 468.415 3.488 20 0 JGADMO COCCN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001301874376 1066874912 /nfs/dbraw/zinc/87/49/12/1066874912.db2.gz HULPRYDOIHLMCL-ZJSXRUAMSA-N 1 1 470.662 3.404 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301874621 1066875792 /nfs/dbraw/zinc/87/57/92/1066875792.db2.gz KJOAZKUOGGZKMQ-MOPGFXCFSA-N 1 1 452.644 3.061 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001301877007 1066878702 /nfs/dbraw/zinc/87/87/02/1066878702.db2.gz JQPLPTJAAJQXKA-RBUKOAKNSA-N 1 1 484.576 3.166 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCOCC2)C[C@@H]1C ZINC001301876839 1066878829 /nfs/dbraw/zinc/87/88/29/1066878829.db2.gz IJNLXINEYGPMRV-OALUTQOASA-N 1 1 461.582 3.141 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001301877009 1066878854 /nfs/dbraw/zinc/87/88/54/1066878854.db2.gz JQPLPTJAAJQXKA-RTBURBONSA-N 1 1 484.576 3.166 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001301877005 1066878971 /nfs/dbraw/zinc/87/89/71/1066878971.db2.gz JQPLPTJAAJQXKA-OALUTQOASA-N 1 1 484.576 3.166 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001301877969 1066881050 /nfs/dbraw/zinc/88/10/50/1066881050.db2.gz UCMMHGJGERFOLN-REWPJTCUSA-N 1 1 485.620 3.303 20 0 JGADMO CC(C)(C)O[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302299204 1066883154 /nfs/dbraw/zinc/88/31/54/1066883154.db2.gz SVYCPTSFMXULCQ-IBGZPJMESA-N 1 1 472.659 3.315 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc[nH+]c2C)CC1 ZINC001301879485 1066884425 /nfs/dbraw/zinc/88/44/25/1066884425.db2.gz GJUCRDMLVDVJOF-UHFFFAOYSA-N 1 1 459.957 3.295 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)COC)C[C@@H]1C ZINC001301881689 1066888548 /nfs/dbraw/zinc/88/85/48/1066888548.db2.gz HGBLMLBHJPEWHP-SJORKVTESA-N 1 1 466.424 3.147 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1sc(C)nc1C ZINC001302302747 1066888703 /nfs/dbraw/zinc/88/87/03/1066888703.db2.gz PFEVDGGYPHPVQQ-ICSRJNTNSA-N 1 1 462.664 3.434 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001301882358 1066889808 /nfs/dbraw/zinc/88/98/08/1066889808.db2.gz ODGOOTLKQBCGSL-RBUKOAKNSA-N 1 1 475.037 3.014 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001301882341 1066889894 /nfs/dbraw/zinc/88/98/94/1066889894.db2.gz NTJAOAQKITWASZ-UYAOXDASSA-N 1 1 478.435 3.291 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001301883050 1066891157 /nfs/dbraw/zinc/89/11/57/1066891157.db2.gz VLBBROSSONZETI-JOCHJYFZSA-N 1 1 462.019 3.336 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)cc2)CC1 ZINC001301883428 1066891720 /nfs/dbraw/zinc/89/17/20/1066891720.db2.gz XBMGHAWDYWBMMJ-UHFFFAOYSA-N 1 1 477.382 3.002 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](Cc1ccccc1)OC ZINC001302304221 1066891693 /nfs/dbraw/zinc/89/16/93/1066891693.db2.gz STJPIPMYZLADDS-VXNXHJTFSA-N 1 1 471.646 3.180 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCS2)CC1 ZINC001301884823 1066893418 /nfs/dbraw/zinc/89/34/18/1066893418.db2.gz COVDNGJTMTUHOZ-CQSZACIVSA-N 1 1 472.478 3.433 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)OC)C[C@H]1C ZINC001301884868 1066893504 /nfs/dbraw/zinc/89/35/04/1066893504.db2.gz FDCRUAHWVVABGO-MRXNPFEDSA-N 1 1 466.424 3.290 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(F)(F)F)C[C@@H]1C ZINC001301885579 1066893999 /nfs/dbraw/zinc/89/39/99/1066893999.db2.gz KESPRARJKYNTIT-ZDUSSCGKSA-N 1 1 462.314 3.427 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(CCOC)CC2)CC1 ZINC001301885962 1066895446 /nfs/dbraw/zinc/89/54/46/1066895446.db2.gz OTQFPERGSOCRGH-UHFFFAOYSA-N 1 1 478.435 3.293 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301885870 1066895545 /nfs/dbraw/zinc/89/55/45/1066895545.db2.gz AQRYQJFMQLCFPB-OFNKIYASSA-N 1 1 460.667 3.179 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CC(F)(F)C2)C[C@H]1C ZINC001301886079 1066895927 /nfs/dbraw/zinc/89/59/27/1066895927.db2.gz REFPWELIAXXYLS-MRXNPFEDSA-N 1 1 465.545 3.165 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC2(O)CCC2)CC1 ZINC001301886340 1066897325 /nfs/dbraw/zinc/89/73/25/1066897325.db2.gz VRAGLQYCPCCJCJ-UHFFFAOYSA-N 1 1 498.853 3.435 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCCC2)C[C@H]1C ZINC001301886373 1066897343 /nfs/dbraw/zinc/89/73/43/1066897343.db2.gz WMONGNXXFLSMMU-LJQANCHMSA-N 1 1 473.643 3.006 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301886451 1066898039 /nfs/dbraw/zinc/89/80/39/1066898039.db2.gz XJVCDADLDQQXTK-SZPZYZBQSA-N 1 1 484.689 3.479 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001301886482 1066898050 /nfs/dbraw/zinc/89/80/50/1066898050.db2.gz ABFLBFNYYCGSFS-QGZVFWFLSA-N 1 1 495.455 3.279 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@](C)(O)CCOC)C[C@@H]1C ZINC001301887288 1066900133 /nfs/dbraw/zinc/90/01/33/1066900133.db2.gz ICIDJHWMLRLXMV-KSFYIVLOSA-N 1 1 486.444 3.196 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001301887294 1066900151 /nfs/dbraw/zinc/90/01/51/1066900151.db2.gz IHNKQVKDQXBBLV-OAHLLOKOSA-N 1 1 462.023 3.331 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(C)COC2)C[C@@H]1C ZINC001301887268 1066900446 /nfs/dbraw/zinc/90/04/46/1066900446.db2.gz HNPPOEYSXBAOEV-HNNXBMFYSA-N 1 1 454.402 3.445 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(C)COC2)C[C@H]1C ZINC001301887269 1066900498 /nfs/dbraw/zinc/90/04/98/1066900498.db2.gz HNPPOEYSXBAOEV-OAHLLOKOSA-N 1 1 454.402 3.445 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(OC)cc2)CC1 ZINC001301887270 1066900523 /nfs/dbraw/zinc/90/05/23/1066900523.db2.gz HPLQTVOBWAOEND-UHFFFAOYSA-N 1 1 456.978 3.013 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001301887481 1066900943 /nfs/dbraw/zinc/90/09/43/1066900943.db2.gz HWKYIMDZZQNEEE-UHFFFAOYSA-N 1 1 478.641 3.066 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)C)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001302309000 1066901154 /nfs/dbraw/zinc/90/11/54/1066901154.db2.gz QMRHAQFNBQNCTM-VABKMULXSA-N 1 1 462.683 3.187 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)C)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001302309000 1066901162 /nfs/dbraw/zinc/90/11/62/1066901162.db2.gz QMRHAQFNBQNCTM-VABKMULXSA-N 1 1 462.683 3.187 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(OC)CCOC2)C[C@@H]1C ZINC001301887775 1066901517 /nfs/dbraw/zinc/90/15/17/1066901517.db2.gz KZKPVOIHZFGRMA-KSFYIVLOSA-N 1 1 484.428 3.214 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001301888191 1066903013 /nfs/dbraw/zinc/90/30/13/1066903013.db2.gz NVAOQCIODFZJGZ-PXNSSMCTSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](COC)OC)C[C@H]1C ZINC001301888442 1066903562 /nfs/dbraw/zinc/90/35/62/1066903562.db2.gz PEULBHDPRZEXIU-WBVHZDCISA-N 1 1 472.417 3.070 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001301888403 1066903864 /nfs/dbraw/zinc/90/38/64/1066903864.db2.gz NYWSQMPFFBHMGZ-HNNXBMFYSA-N 1 1 462.501 3.048 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888783 1066904938 /nfs/dbraw/zinc/90/49/38/1066904938.db2.gz PHIGIMWNLZFYPZ-NZQKXSOJSA-N 1 1 491.080 3.112 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888783 1066904944 /nfs/dbraw/zinc/90/49/44/1066904944.db2.gz PHIGIMWNLZFYPZ-NZQKXSOJSA-N 1 1 491.080 3.112 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)OC)C[C@H]1C ZINC001301889008 1066905588 /nfs/dbraw/zinc/90/55/88/1066905588.db2.gz UNWDFWOOUHBNHX-CABCVRRESA-N 1 1 470.387 3.039 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](SC)C(C)(C)C ZINC001302311696 1066905858 /nfs/dbraw/zinc/90/58/58/1066905858.db2.gz PABYYYPBWDINPJ-HAGHYFMRSA-N 1 1 451.681 3.454 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001301889165 1066906049 /nfs/dbraw/zinc/90/60/49/1066906049.db2.gz VZLBSGXQQGHYPL-JOCHJYFZSA-N 1 1 480.009 3.475 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2snnc2C)CC1 ZINC001301889300 1066906122 /nfs/dbraw/zinc/90/61/22/1066906122.db2.gz VPVRJWFZYHVGLZ-UHFFFAOYSA-N 1 1 455.632 3.219 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCOCC2)C[C@H]1C ZINC001301889180 1066906376 /nfs/dbraw/zinc/90/63/76/1066906376.db2.gz WLWVPFGKQNUPMH-MRXNPFEDSA-N 1 1 496.425 3.430 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC001301889262 1066906793 /nfs/dbraw/zinc/90/67/93/1066906793.db2.gz YPYFNICTZHVGGO-SFHVURJKSA-N 1 1 484.004 3.179 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2(O)CCOCC2)C[C@@H]1C ZINC001301889407 1066907443 /nfs/dbraw/zinc/90/74/43/1066907443.db2.gz XKVWZELMPKGWAS-NRFANRHFSA-N 1 1 485.673 3.331 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302312266 1066907607 /nfs/dbraw/zinc/90/76/07/1066907607.db2.gz YECBMVYOQRAZEU-BFRACDOUSA-N 1 1 463.667 3.231 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001301890918 1066910820 /nfs/dbraw/zinc/91/08/20/1066910820.db2.gz MGPOTSMWZXQNTL-UXHICEINSA-N 1 1 472.634 3.263 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001301891588 1066912088 /nfs/dbraw/zinc/91/20/88/1066912088.db2.gz RCENAPZOVMXSFE-NRFANRHFSA-N 1 1 470.662 3.375 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001301891588 1066912095 /nfs/dbraw/zinc/91/20/95/1066912095.db2.gz RCENAPZOVMXSFE-NRFANRHFSA-N 1 1 470.662 3.375 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301891893 1066912777 /nfs/dbraw/zinc/91/27/77/1066912777.db2.gz RQKQHWNJSXEJER-YADHBBJMSA-N 1 1 470.662 3.233 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001301892970 1066913967 /nfs/dbraw/zinc/91/39/67/1066913967.db2.gz XZOTWXIHWZKCQA-DHIUTWEWSA-N 1 1 454.663 3.470 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001301892970 1066913980 /nfs/dbraw/zinc/91/39/80/1066913980.db2.gz XZOTWXIHWZKCQA-DHIUTWEWSA-N 1 1 454.663 3.470 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001301893057 1066914181 /nfs/dbraw/zinc/91/41/81/1066914181.db2.gz ZVTCPYMBDBOWMK-PZJWPPBQSA-N 1 1 454.644 3.466 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001301892749 1066914323 /nfs/dbraw/zinc/91/43/23/1066914323.db2.gz XAIMZBTWURFPQK-ROUUACIJSA-N 1 1 478.435 3.149 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(CSC)cc2)C[C@H]1C ZINC001301895142 1066915847 /nfs/dbraw/zinc/91/58/47/1066915847.db2.gz AWSLJWSZFGAXAI-LJQANCHMSA-N 1 1 452.628 3.408 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001301895857 1066917190 /nfs/dbraw/zinc/91/71/90/1066917190.db2.gz AWJGWALHGJBRJT-SFHVURJKSA-N 1 1 472.540 3.455 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)c2nccs2)C[C@H]1C ZINC001301896301 1066918574 /nfs/dbraw/zinc/91/85/74/1066918574.db2.gz IOWMZSCPQONOTQ-QZTJIDSGSA-N 1 1 456.616 3.371 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001301896503 1066919667 /nfs/dbraw/zinc/91/96/67/1066919667.db2.gz LTULGCBSAIGQOZ-IBGZPJMESA-N 1 1 472.609 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001301896712 1066920036 /nfs/dbraw/zinc/92/00/36/1066920036.db2.gz WTSPJFRUBLRVAE-HXUWFJFHSA-N 1 1 494.644 3.019 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OCC(F)F)C[C@H]1C ZINC001301896874 1066920586 /nfs/dbraw/zinc/92/05/86/1066920586.db2.gz QCZHDGVUOUPFAV-LJQANCHMSA-N 1 1 486.567 3.498 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001301896971 1066920706 /nfs/dbraw/zinc/92/07/06/1066920706.db2.gz SFQVWYODHWGTSE-UHFFFAOYSA-N 1 1 494.493 3.237 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001301896705 1066920774 /nfs/dbraw/zinc/92/07/74/1066920774.db2.gz PHOPYZXBMHDJAT-HXUWFJFHSA-N 1 1 481.645 3.320 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC001301898693 1066923229 /nfs/dbraw/zinc/92/32/29/1066923229.db2.gz NTSVJECRPBHGHM-HNNXBMFYSA-N 1 1 495.962 3.139 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001301898679 1066923358 /nfs/dbraw/zinc/92/33/58/1066923358.db2.gz NKMAPZOYYDCZME-SFHLNBCPSA-N 1 1 487.649 3.076 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCCS(C)(=O)=O ZINC001302330414 1066930954 /nfs/dbraw/zinc/93/09/54/1066930954.db2.gz PWEDHGAUPNVQED-NHCUHLMSSA-N 1 1 481.707 3.086 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301910467 1066934768 /nfs/dbraw/zinc/93/47/68/1066934768.db2.gz CNSCCGKWGHEVDS-MZKRTTBSSA-N 1 1 491.080 3.285 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+](C)C2CCCC2)CCO1 ZINC001301910616 1066935331 /nfs/dbraw/zinc/93/53/31/1066935331.db2.gz DVEJLRIVUUPYBK-QFIPXVFZSA-N 1 1 486.686 3.095 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OCC3CC3)c2)C[C@@H]1C ZINC001301910759 1066935746 /nfs/dbraw/zinc/93/57/46/1066935746.db2.gz WQWRBNYQCGWEPL-IBGZPJMESA-N 1 1 456.635 3.256 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C[C@@H]1C ZINC001301910834 1066935777 /nfs/dbraw/zinc/93/57/77/1066935777.db2.gz IZKPWTNCMZMKPP-VQTJNVASSA-N 1 1 466.671 3.183 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)C[C@@H]1C ZINC001301910839 1066935846 /nfs/dbraw/zinc/93/58/46/1066935846.db2.gz JDGHSKNBQKVUHB-IBGZPJMESA-N 1 1 455.582 3.007 20 0 JGADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302337902 1066936737 /nfs/dbraw/zinc/93/67/37/1066936737.db2.gz BKSIFNROACMKFO-GOSISDBHSA-N 1 1 462.639 3.007 20 0 JGADMO CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2)CC1)C(F)(F)F ZINC001302338078 1066937110 /nfs/dbraw/zinc/93/71/10/1066937110.db2.gz FQXNLAWIQGQCAN-SFHVURJKSA-N 1 1 480.535 3.019 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)cc2C(F)(F)F)C[C@@H]1C ZINC001301911626 1066937233 /nfs/dbraw/zinc/93/72/33/1066937233.db2.gz IJULDVOEIDVONN-HKUYNNGSSA-N 1 1 497.562 3.405 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001301911641 1066937421 /nfs/dbraw/zinc/93/74/21/1066937421.db2.gz ITBCVECZPJXQER-IBGZPJMESA-N 1 1 471.499 3.494 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001301911971 1066938265 /nfs/dbraw/zinc/93/82/65/1066938265.db2.gz JABYNOZOBJLWHK-PTUXOGIPSA-N 1 1 474.625 3.119 20 0 JGADMO Cc1[nH]nc(I)c1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001302340537 1066938795 /nfs/dbraw/zinc/93/87/95/1066938795.db2.gz SAHOKUXBDJRKFP-INIZCTEOSA-N 1 1 452.340 3.497 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOc2ccccc2C)C[C@H]1C ZINC001301912651 1066940073 /nfs/dbraw/zinc/94/00/73/1066940073.db2.gz LVDZEFPFDBZCSB-FGZHOGPDSA-N 1 1 457.619 3.107 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCOc2ccc(F)cc2)C[C@@H]1C ZINC001301912617 1066940105 /nfs/dbraw/zinc/94/01/05/1066940105.db2.gz LIFHUOACPPMQIV-SIKLNZKXSA-N 1 1 461.582 3.285 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOc2ccc(F)cc2)C[C@H]1C ZINC001301912614 1066940136 /nfs/dbraw/zinc/94/01/36/1066940136.db2.gz LIFHUOACPPMQIV-KNQAVFIVSA-N 1 1 461.582 3.285 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS2)C[C@H]1C ZINC001301913164 1066940784 /nfs/dbraw/zinc/94/07/84/1066940784.db2.gz UTAIOQLWRNOSOK-SJORKVTESA-N 1 1 451.587 3.200 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nc(C)c(C)s2)CC1 ZINC001301913035 1066941114 /nfs/dbraw/zinc/94/11/14/1066941114.db2.gz SFISPFNYTSEYTC-UHFFFAOYSA-N 1 1 461.035 3.412 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS2)C[C@@H]1C ZINC001301913161 1066941381 /nfs/dbraw/zinc/94/13/81/1066941381.db2.gz UTAIOQLWRNOSOK-DLBZAZTESA-N 1 1 451.587 3.200 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001301913653 1066942720 /nfs/dbraw/zinc/94/27/20/1066942720.db2.gz WPCMMMIASZPCKP-QGZVFWFLSA-N 1 1 470.540 3.018 20 0 JGADMO CON(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001302346041 1066943539 /nfs/dbraw/zinc/94/35/39/1066943539.db2.gz MUICNGZFJFNWBD-UHFFFAOYSA-N 1 1 482.589 3.328 20 0 JGADMO CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301914643 1066944067 /nfs/dbraw/zinc/94/40/67/1066944067.db2.gz QUBZEZWIOSZGLE-FUHIMQAGSA-N 1 1 461.010 3.271 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2ccccc2F)C[C@@H]1C ZINC001301914994 1066944364 /nfs/dbraw/zinc/94/43/64/1066944364.db2.gz RNJFYCKYBDPYBW-JQVVWYNYSA-N 1 1 461.582 3.283 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301915033 1066944934 /nfs/dbraw/zinc/94/49/34/1066944934.db2.gz RSXGDCMVPRCAHF-ZRBLBEILSA-N 1 1 462.683 3.046 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001301917985 1066947595 /nfs/dbraw/zinc/94/75/95/1066947595.db2.gz DGBDBAKPAAQKKH-UHFFFAOYSA-N 1 1 452.578 3.149 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC001301918902 1066950208 /nfs/dbraw/zinc/95/02/08/1066950208.db2.gz DYYYWUJPJGOSKD-GOSISDBHSA-N 1 1 471.005 3.131 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301919218 1066950810 /nfs/dbraw/zinc/95/08/10/1066950810.db2.gz GOYLYMWQNJXKEV-QFIPXVFZSA-N 1 1 472.653 3.144 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302363135 1066953321 /nfs/dbraw/zinc/95/33/21/1066953321.db2.gz BVHKTMOKPBIWOL-WOJBJXKFSA-N 1 1 465.545 3.128 20 0 JGADMO CC(C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001302363231 1066953599 /nfs/dbraw/zinc/95/35/99/1066953599.db2.gz WMSIDYKIJJELRB-UHFFFAOYSA-N 1 1 475.037 3.087 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CCc2sc(C)nc2C)C[C@H]1C ZINC001301920903 1066953923 /nfs/dbraw/zinc/95/39/23/1066953923.db2.gz DNQKQKDLLNAHCE-MRXNPFEDSA-N 1 1 460.673 3.403 20 0 JGADMO COCCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1=O ZINC001301920846 1066953968 /nfs/dbraw/zinc/95/39/68/1066953968.db2.gz DEPFTYSFRNVZOK-QFIPXVFZSA-N 1 1 489.064 3.262 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001301921257 1066955391 /nfs/dbraw/zinc/95/53/91/1066955391.db2.gz RYHSEVBWGGRERW-OAQYLSRUSA-N 1 1 486.661 3.201 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC001301922939 1066956520 /nfs/dbraw/zinc/95/65/20/1066956520.db2.gz NFUSUAYVYNNGEG-KRWDZBQOSA-N 1 1 459.591 3.283 20 0 JGADMO CC(C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001302370341 1066958431 /nfs/dbraw/zinc/95/84/31/1066958431.db2.gz MKQBMQNKWGGVNY-AREMUKBSSA-N 1 1 471.646 3.227 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001301926206 1066959636 /nfs/dbraw/zinc/95/96/36/1066959636.db2.gz BITPUOKAUJGWQN-RBUKOAKNSA-N 1 1 469.556 3.202 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001301927189 1066960505 /nfs/dbraw/zinc/96/05/05/1066960505.db2.gz YAIOQKVXCDLPLJ-UHFFFAOYSA-N 1 1 469.609 3.025 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001301926980 1066960819 /nfs/dbraw/zinc/96/08/19/1066960819.db2.gz RDJXPURBCGILBZ-OAQYLSRUSA-N 1 1 473.687 3.372 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC001301927327 1066961242 /nfs/dbraw/zinc/96/12/42/1066961242.db2.gz BWZWZGPYMFHVCR-AREMUKBSSA-N 1 1 483.613 3.051 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncccc2C)C[C@H]1C ZINC001301927262 1066961380 /nfs/dbraw/zinc/96/13/80/1066961380.db2.gz ALSDFLFYSPTOTN-LJQANCHMSA-N 1 1 471.005 3.419 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2OCCC2(C)C)C[C@@H]1C ZINC001301927301 1066961414 /nfs/dbraw/zinc/96/14/14/1066961414.db2.gz BHJQAUOVXOIBPA-RBBKRZOGSA-N 1 1 457.619 3.138 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCSC2)CC1 ZINC001301927251 1066961534 /nfs/dbraw/zinc/96/15/34/1066961534.db2.gz AIFXNVAQVXPLJZ-NRFANRHFSA-N 1 1 459.660 3.386 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302376534 1066961764 /nfs/dbraw/zinc/96/17/64/1066961764.db2.gz FMXACHZCNNHKEM-BHIFYINESA-N 1 1 457.619 3.198 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)OC)C[C@@H]1C ZINC001301927376 1066961917 /nfs/dbraw/zinc/96/19/17/1066961917.db2.gz DRDSRTNUQWSALX-KRWDZBQOSA-N 1 1 451.999 3.092 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001301927561 1066962711 /nfs/dbraw/zinc/96/27/11/1066962711.db2.gz JJUFJFUDEYPCML-DHLKQENFSA-N 1 1 471.646 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H]2CCOC2)C[C@H]1C ZINC001301927595 1066963244 /nfs/dbraw/zinc/96/32/44/1066963244.db2.gz KDYOASACKIHPHN-FGZHOGPDSA-N 1 1 457.619 3.057 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2OCCC2(C)C)C[C@H]1C ZINC001301927821 1066963813 /nfs/dbraw/zinc/96/38/13/1066963813.db2.gz OKKNGMNLVTZZAV-GGAORHGYSA-N 1 1 471.646 3.446 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ncccc2N(C)C)C[C@H]1C ZINC001301927732 1066963920 /nfs/dbraw/zinc/96/39/20/1066963920.db2.gz MSGAIEMMNHJBQA-JOCHJYFZSA-N 1 1 493.656 3.140 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928909 1066966320 /nfs/dbraw/zinc/96/63/20/1066966320.db2.gz YDJKPHBRWWMKRX-LADGPHEKSA-N 1 1 484.689 3.443 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928909 1066966329 /nfs/dbraw/zinc/96/63/29/1066966329.db2.gz YDJKPHBRWWMKRX-LADGPHEKSA-N 1 1 484.689 3.443 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ccc(OC)cc2)CC1 ZINC001301929477 1066967174 /nfs/dbraw/zinc/96/71/74/1066967174.db2.gz GVVNMSKRWZUTLO-DHIUTWEWSA-N 1 1 487.645 3.053 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccnc(SC)c2)CC1 ZINC001301931130 1066968599 /nfs/dbraw/zinc/96/85/99/1066968599.db2.gz BLGDOIVPYIGLIN-TZIWHRDSSA-N 1 1 474.675 3.130 20 0 JGADMO CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001302388778 1066969731 /nfs/dbraw/zinc/96/97/31/1066969731.db2.gz APCTZBCHUNOZPS-RXVVDRJESA-N 1 1 477.053 3.323 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001302391927 1066971427 /nfs/dbraw/zinc/97/14/27/1066971427.db2.gz FPWHZEZIWSYUNG-XLIONFOSSA-N 1 1 478.435 3.434 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2occc2C)C[C@@H]1C ZINC001301932766 1066971760 /nfs/dbraw/zinc/97/17/60/1066971760.db2.gz JNAAPZIBPOVXAQ-PMACEKPBSA-N 1 1 488.633 3.457 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302392932 1066972277 /nfs/dbraw/zinc/97/22/77/1066972277.db2.gz BLPLOYQDTFMQDR-INIZCTEOSA-N 1 1 482.398 3.183 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001301933523 1066973234 /nfs/dbraw/zinc/97/32/34/1066973234.db2.gz OSVJNUPHGZMUIP-RDPSFJRHSA-N 1 1 459.660 3.198 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001301933541 1066973324 /nfs/dbraw/zinc/97/33/24/1066973324.db2.gz PGLGXILLRKVLAW-DNQXCXABSA-N 1 1 484.689 3.097 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001301933680 1066973734 /nfs/dbraw/zinc/97/37/34/1066973734.db2.gz QLLKSDVUPBBBRD-VNTMZGSJSA-N 1 1 483.748 3.202 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCn2cc(Cl)cn2)CC1 ZINC001301934439 1066975055 /nfs/dbraw/zinc/97/50/55/1066975055.db2.gz YLINUWABXVJQNJ-UHFFFAOYSA-N 1 1 476.050 3.197 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1OC ZINC001302406348 1066988003 /nfs/dbraw/zinc/98/80/03/1066988003.db2.gz VBNAUJSHSITTOM-ACIOBRDBSA-N 1 1 484.645 3.262 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccc(C)n2)n1CC[N@@H+]1CC=CCC1 ZINC001301941446 1066989286 /nfs/dbraw/zinc/98/92/86/1066989286.db2.gz PPPCOFZASZDXDN-UHFFFAOYSA-N 1 1 479.654 3.423 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2cc[nH+]c2C)C[C@@H]1OC ZINC001302411181 1066995077 /nfs/dbraw/zinc/99/50/77/1066995077.db2.gz UYESFMJJTGTFNN-KDURUIRLSA-N 1 1 493.381 3.292 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302419467 1067004358 /nfs/dbraw/zinc/00/43/58/1067004358.db2.gz VWFNFZJWEBSPPT-VXKWHMMOSA-N 1 1 467.662 3.125 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1OC ZINC001302421222 1067006984 /nfs/dbraw/zinc/00/69/84/1067006984.db2.gz YWCFABATXNDQHQ-ZRZAMGCNSA-N 1 1 471.646 3.446 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302421558 1067007234 /nfs/dbraw/zinc/00/72/34/1067007234.db2.gz MDUOJUQAWBAYEG-FQEVSTJZSA-N 1 1 455.651 3.145 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001302421906 1067007981 /nfs/dbraw/zinc/00/79/81/1067007981.db2.gz DNZVGSOLAWTBFO-QFIPXVFZSA-N 1 1 468.646 3.045 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001302422538 1067009536 /nfs/dbraw/zinc/00/95/36/1067009536.db2.gz ORKVHPNBDZIHHQ-QHCPKHFHSA-N 1 1 484.645 3.262 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001302431285 1067018537 /nfs/dbraw/zinc/01/85/37/1067018537.db2.gz IKCKYTMWFBFPAX-RUZDIDTESA-N 1 1 495.716 3.208 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001302431268 1067018681 /nfs/dbraw/zinc/01/86/81/1067018681.db2.gz IFNRBAQMTYMJDS-NRFANRHFSA-N 1 1 482.677 3.378 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302431309 1067018972 /nfs/dbraw/zinc/01/89/72/1067018972.db2.gz ITCPVXOSKSNEBU-MOPGFXCFSA-N 1 1 474.053 3.466 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302432641 1067022485 /nfs/dbraw/zinc/02/24/85/1067022485.db2.gz CUGUQKPVQAWOSE-OAQYLSRUSA-N 1 1 488.702 3.030 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302432641 1067022494 /nfs/dbraw/zinc/02/24/94/1067022494.db2.gz CUGUQKPVQAWOSE-OAQYLSRUSA-N 1 1 488.702 3.030 20 0 JGADMO CC1(C)COCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC(N)=O)CC1 ZINC001303982395 1067030765 /nfs/dbraw/zinc/03/07/65/1067030765.db2.gz YHPMNZQFLODLKR-UHFFFAOYSA-N 1 1 495.455 3.455 20 0 JGADMO CC1(C)COCC[N@H+]1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC(N)=O)CC1 ZINC001303982395 1067030780 /nfs/dbraw/zinc/03/07/80/1067030780.db2.gz YHPMNZQFLODLKR-UHFFFAOYSA-N 1 1 495.455 3.455 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302451493 1067053068 /nfs/dbraw/zinc/05/30/68/1067053068.db2.gz IFZIFUPRWHNESX-MRXNPFEDSA-N 1 1 483.444 3.181 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304012899 1067056238 /nfs/dbraw/zinc/05/62/38/1067056238.db2.gz ICPMQJIFEAMCEO-GOTSBHOMSA-N 1 1 498.672 3.221 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001304014450 1067058052 /nfs/dbraw/zinc/05/80/52/1067058052.db2.gz SIZNLAOXGGHNHS-HXUWFJFHSA-N 1 1 461.614 3.440 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC001304017238 1067060622 /nfs/dbraw/zinc/06/06/22/1067060622.db2.gz DGAKHOKGZMAEDK-UWJYYQICSA-N 1 1 455.525 3.490 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001304017590 1067061163 /nfs/dbraw/zinc/06/11/63/1067061163.db2.gz AQWUWBKLVZTQCH-KCZVDYSFSA-N 1 1 457.619 3.371 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001304023342 1067068533 /nfs/dbraw/zinc/06/85/33/1067068533.db2.gz LZBNCOBKVKOONM-HFZDXXHNSA-N 1 1 468.646 3.482 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(N4CCNC4=O)CC3)n2CC[N@H+](C)C(C)C)c1C ZINC001304025899 1067072108 /nfs/dbraw/zinc/07/21/08/1067072108.db2.gz ZSJLWGHJWHFTTN-OAQYLSRUSA-N 1 1 483.661 3.369 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCN4CCCC[C@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030155 1067078577 /nfs/dbraw/zinc/07/85/77/1067078577.db2.gz NLFXJBRDTSSMTA-GOTSBHOMSA-N 1 1 470.662 3.288 20 0 JGADMO Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3CCCn3cc[nH+]c3C)CC2)oc1C ZINC001304042651 1067086263 /nfs/dbraw/zinc/08/62/63/1067086263.db2.gz YWGRTPIZZKWORY-UHFFFAOYSA-N 1 1 454.623 3.389 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302487996 1067087589 /nfs/dbraw/zinc/08/75/89/1067087589.db2.gz RPSRUEOJMDKRIP-UNVFRBQDSA-N 1 1 466.630 3.446 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302487996 1067087603 /nfs/dbraw/zinc/08/76/03/1067087603.db2.gz RPSRUEOJMDKRIP-UNVFRBQDSA-N 1 1 466.630 3.446 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001302490349 1067091292 /nfs/dbraw/zinc/09/12/92/1067091292.db2.gz ZDEIDMXAURDHCZ-MHZLTWQESA-N 1 1 477.657 3.001 20 0 JGADMO CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001302495004 1067093936 /nfs/dbraw/zinc/09/39/36/1067093936.db2.gz CAQGKIFNJZFCSP-SQJMNOBHSA-N 1 1 459.610 3.431 20 0 JGADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001304057277 1067097691 /nfs/dbraw/zinc/09/76/91/1067097691.db2.gz MAEQCFAGOBZYRB-KRWDZBQOSA-N 1 1 467.643 3.384 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001304077658 1067123019 /nfs/dbraw/zinc/12/30/19/1067123019.db2.gz GZMCCMBMESBYRV-CQSZACIVSA-N 1 1 494.463 3.168 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304077658 1067123023 /nfs/dbraw/zinc/12/30/23/1067123023.db2.gz GZMCCMBMESBYRV-CQSZACIVSA-N 1 1 494.463 3.168 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+](C)C2CC2)cnn1C ZINC001304079561 1067124371 /nfs/dbraw/zinc/12/43/71/1067124371.db2.gz OBSHSTMPICUAHN-ZDUSSCGKSA-N 1 1 461.412 3.197 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001304082961 1067130154 /nfs/dbraw/zinc/13/01/54/1067130154.db2.gz YVKVOUVBHAZCEJ-KRWDZBQOSA-N 1 1 462.023 3.242 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304091645 1067134548 /nfs/dbraw/zinc/13/45/48/1067134548.db2.gz FQZYQNJOGOVUQH-GOSISDBHSA-N 1 1 455.632 3.166 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@H+]1CCCO ZINC001304092373 1067135799 /nfs/dbraw/zinc/13/57/99/1067135799.db2.gz WRIHKHVOKUBGNM-LJQANCHMSA-N 1 1 458.607 3.256 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCOc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC001302523073 1067143240 /nfs/dbraw/zinc/14/32/40/1067143240.db2.gz HXNLYYHAVHCODK-DENIHFKCSA-N 1 1 478.037 3.307 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)N1CCOCC1 ZINC001302523376 1067144162 /nfs/dbraw/zinc/14/41/62/1067144162.db2.gz JENADBRDTQCUTM-BJKOFHAPSA-N 1 1 476.710 3.086 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCCOC1)[NH+]1CCOCC1 ZINC001302524000 1067145285 /nfs/dbraw/zinc/14/52/85/1067145285.db2.gz AZCDXJXMIRCRRD-REWPJTCUSA-N 1 1 459.610 3.228 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cscn1)[NH+]1CCOCC1 ZINC001302524304 1067146041 /nfs/dbraw/zinc/14/60/41/1067146041.db2.gz FHWHSRDBBBXESB-OAQYLSRUSA-N 1 1 458.607 3.458 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC1COC(C)(C)OC1)[NH+]1CCOCC1 ZINC001302524543 1067146603 /nfs/dbraw/zinc/14/66/03/1067146603.db2.gz GAQUMQBAWMZIHZ-QHCPKHFHSA-N 1 1 489.636 3.200 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302525195 1067147249 /nfs/dbraw/zinc/14/72/49/1067147249.db2.gz LPISIWFSPIJPQP-RTWAWAEBSA-N 1 1 476.666 3.081 20 0 JGADMO Cc1c(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cnn1C ZINC001304105743 1067147688 /nfs/dbraw/zinc/14/76/88/1067147688.db2.gz XBFFAFNCXAQMQK-UHFFFAOYSA-N 1 1 458.010 3.236 20 0 JGADMO Cc1c(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cnn1C ZINC001304105743 1067147693 /nfs/dbraw/zinc/14/76/93/1067147693.db2.gz XBFFAFNCXAQMQK-UHFFFAOYSA-N 1 1 458.010 3.236 20 0 JGADMO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001302525789 1067149328 /nfs/dbraw/zinc/14/93/28/1067149328.db2.gz GFNWDBNHSCOSPK-MOPGFXCFSA-N 1 1 494.706 3.403 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCOCC1 ZINC001302525918 1067149910 /nfs/dbraw/zinc/14/99/10/1067149910.db2.gz QDCNKQMKEFXZFO-QFIPXVFZSA-N 1 1 482.654 3.023 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1)[NH+]1CCOCC1 ZINC001302525941 1067149941 /nfs/dbraw/zinc/14/99/41/1067149941.db2.gz QNWJUIRRFPPQLN-KRWDZBQOSA-N 1 1 483.583 3.459 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302526435 1067151201 /nfs/dbraw/zinc/15/12/01/1067151201.db2.gz VFMBRPCGMKNYJK-PKTZIBPZSA-N 1 1 470.662 3.405 20 0 JGADMO CSC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001302530839 1067159562 /nfs/dbraw/zinc/15/95/62/1067159562.db2.gz FWSAKRVLRWBMMA-UHFFFAOYSA-N 1 1 488.677 3.284 20 0 JGADMO CSC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001302530839 1067159566 /nfs/dbraw/zinc/15/95/66/1067159566.db2.gz FWSAKRVLRWBMMA-UHFFFAOYSA-N 1 1 488.677 3.284 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302531639 1067160674 /nfs/dbraw/zinc/16/06/74/1067160674.db2.gz MYKAABCCIMWONF-GBESFXJTSA-N 1 1 475.556 3.034 20 0 JGADMO Cc1nnsc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304122347 1067162408 /nfs/dbraw/zinc/16/24/08/1067162408.db2.gz MTLATIVMRXCSCJ-UHFFFAOYSA-N 1 1 492.049 3.266 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001304133860 1067172549 /nfs/dbraw/zinc/17/25/49/1067172549.db2.gz OSIJEHNUFCRXLG-OAQYLSRUSA-N 1 1 483.661 3.228 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304136209 1067174953 /nfs/dbraw/zinc/17/49/53/1067174953.db2.gz LUHZJFACGPCWGJ-UHFFFAOYSA-N 1 1 491.640 3.066 20 0 JGADMO COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001304136446 1067175395 /nfs/dbraw/zinc/17/53/95/1067175395.db2.gz ZSLXKUWYRDBIMA-UQBPGWFLSA-N 1 1 452.530 3.136 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304136459 1067175477 /nfs/dbraw/zinc/17/54/77/1067175477.db2.gz OJLTYENZHDPFSJ-ZRBLBEILSA-N 1 1 498.672 3.363 20 0 JGADMO CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302545232 1067178929 /nfs/dbraw/zinc/17/89/29/1067178929.db2.gz HMIRPIRUIPHNGV-KNKQGSTJSA-N 1 1 456.660 3.076 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCNC(=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001304139088 1067179374 /nfs/dbraw/zinc/17/93/74/1067179374.db2.gz LFHHXYHCQPLNNX-IBGZPJMESA-N 1 1 473.021 3.277 20 0 JGADMO CS[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001302548074 1067184114 /nfs/dbraw/zinc/18/41/14/1067184114.db2.gz MLFFWXIRVYGBAU-QZTJIDSGSA-N 1 1 477.700 3.411 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCS(=O)(=O)CC2)n1CC[NH+]1CCCC1 ZINC001304143361 1067185395 /nfs/dbraw/zinc/18/53/95/1067185395.db2.gz GAPOBRMZBPZYFG-SFHVURJKSA-N 1 1 482.050 3.019 20 0 JGADMO CC(C)c1nc(CCn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001302551586 1067188339 /nfs/dbraw/zinc/18/83/39/1067188339.db2.gz FPYXIDWOZFDXEM-WSTZPKSXSA-N 1 1 462.664 3.498 20 0 JGADMO CC(C)c1nc(CCn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001302551586 1067188352 /nfs/dbraw/zinc/18/83/52/1067188352.db2.gz FPYXIDWOZFDXEM-WSTZPKSXSA-N 1 1 462.664 3.498 20 0 JGADMO Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c(C)o1 ZINC001304147188 1067192445 /nfs/dbraw/zinc/19/24/45/1067192445.db2.gz ONSNAHJIWPNKQI-CUNXSJBXSA-N 1 1 497.640 3.081 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@@H](C)C3)CC2)no1 ZINC001304147431 1067192972 /nfs/dbraw/zinc/19/29/72/1067192972.db2.gz SDOGCQHMICVREB-GOSISDBHSA-N 1 1 471.650 3.294 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC001302558277 1067198216 /nfs/dbraw/zinc/19/82/16/1067198216.db2.gz ZEUZCJWQTCCROJ-AREMUKBSSA-N 1 1 463.630 3.070 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302560525 1067201173 /nfs/dbraw/zinc/20/11/73/1067201173.db2.gz ADDXYBRCUJHYTA-PXNSSMCTSA-N 1 1 462.664 3.367 20 0 JGADMO CC(C)c1nnc([C@H]2CN(c3nnc(COc4ccccc4F)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001302562540 1067202441 /nfs/dbraw/zinc/20/24/41/1067202441.db2.gz MYCRYZVEFOUANR-HXUWFJFHSA-N 1 1 487.580 3.421 20 0 JGADMO Cc1cc([C@@](C)(O)Cn2c([C@H]3CCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304154636 1067202467 /nfs/dbraw/zinc/20/24/67/1067202467.db2.gz GCZUEZOZNHCVCZ-BWKNWUBXSA-N 1 1 475.634 3.042 20 0 JGADMO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302563023 1067202913 /nfs/dbraw/zinc/20/29/13/1067202913.db2.gz PXLBRPKYTSKHRJ-HXUWFJFHSA-N 1 1 490.718 3.276 20 0 JGADMO CC(C)c1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302566458 1067205778 /nfs/dbraw/zinc/20/57/78/1067205778.db2.gz ASSJUIRXDGHXOM-XLIONFOSSA-N 1 1 454.388 3.378 20 0 JGADMO Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)NC(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304159141 1067206597 /nfs/dbraw/zinc/20/65/97/1067206597.db2.gz MPOZELPBSPKFHK-UHFFFAOYSA-N 1 1 496.578 3.339 20 0 JGADMO Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)NC(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304159141 1067206600 /nfs/dbraw/zinc/20/66/00/1067206600.db2.gz MPOZELPBSPKFHK-UHFFFAOYSA-N 1 1 496.578 3.339 20 0 JGADMO CC(C)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302567936 1067207309 /nfs/dbraw/zinc/20/73/09/1067207309.db2.gz CIFLWSYVXIFGEW-BJKOFHAPSA-N 1 1 481.689 3.449 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302567941 1067207356 /nfs/dbraw/zinc/20/73/56/1067207356.db2.gz CIFLWSYVXIFGEW-RPWUZVMVSA-N 1 1 481.689 3.449 20 0 JGADMO Cc1cc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(C)c1 ZINC001304161069 1067208364 /nfs/dbraw/zinc/20/83/64/1067208364.db2.gz WRBFIJWHWPOBRQ-FQEVSTJZSA-N 1 1 476.691 3.172 20 0 JGADMO CS[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001302570848 1067210219 /nfs/dbraw/zinc/21/02/19/1067210219.db2.gz STKQAJQUFSSPPE-OMQSBVIBSA-N 1 1 451.681 3.105 20 0 JGADMO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302571310 1067210677 /nfs/dbraw/zinc/21/06/77/1067210677.db2.gz MVLYNXQAWNPAHB-HXUWFJFHSA-N 1 1 483.082 3.218 20 0 JGADMO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)C1 ZINC001304166471 1067213324 /nfs/dbraw/zinc/21/33/24/1067213324.db2.gz XTMFEMHSJDFTKQ-XMMPIXPASA-N 1 1 458.647 3.205 20 0 JGADMO CC(C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001302574117 1067213363 /nfs/dbraw/zinc/21/33/63/1067213363.db2.gz YHDCQDXYYGBLIG-UHFFFAOYSA-N 1 1 482.673 3.367 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001304168139 1067214770 /nfs/dbraw/zinc/21/47/70/1067214770.db2.gz DIPBOOHXYCYSGP-SANMLTNESA-N 1 1 479.629 3.090 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001304170509 1067218075 /nfs/dbraw/zinc/21/80/75/1067218075.db2.gz MQDWGGGHWPEJHX-FQEVSTJZSA-N 1 1 465.602 3.126 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CC(F)(F)F)c1 ZINC001304170476 1067218099 /nfs/dbraw/zinc/21/80/99/1067218099.db2.gz LYDUVFLJEFZRFA-PKOBYXMFSA-N 1 1 453.509 3.193 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CC(F)(F)F)c1 ZINC001304170475 1067218123 /nfs/dbraw/zinc/21/81/23/1067218123.db2.gz LYDUVFLJEFZRFA-MJGOQNOKSA-N 1 1 453.509 3.193 20 0 JGADMO CS[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C(C)(C)C ZINC001302581260 1067219617 /nfs/dbraw/zinc/21/96/17/1067219617.db2.gz RKNRTILHNXYMOD-FPOVZHCZSA-N 1 1 475.707 3.232 20 0 JGADMO CS[C@H](Cn1c(C2CCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302582301 1067220923 /nfs/dbraw/zinc/22/09/23/1067220923.db2.gz XWDAEUYTQKEFPI-HXUWFJFHSA-N 1 1 462.708 3.458 20 0 JGADMO CS[C@H](Cn1c(C2CCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302582301 1067220929 /nfs/dbraw/zinc/22/09/29/1067220929.db2.gz XWDAEUYTQKEFPI-HXUWFJFHSA-N 1 1 462.708 3.458 20 0 JGADMO CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)CCOCC1 ZINC001302590712 1067228000 /nfs/dbraw/zinc/22/80/00/1067228000.db2.gz KHJCSPWFBKHTNE-UHFFFAOYSA-N 1 1 486.686 3.041 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304183372 1067233930 /nfs/dbraw/zinc/23/39/30/1067233930.db2.gz JDUGUJWYXGIOPH-FQEVSTJZSA-N 1 1 489.686 3.221 20 0 JGADMO CSC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001302596962 1067233932 /nfs/dbraw/zinc/23/39/32/1067233932.db2.gz CFHVZFXBWHHOOQ-UHFFFAOYSA-N 1 1 492.715 3.012 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCCCCO)n2CC[N@H+]2CCOC[C@@H]2C)c2ccccc2n1 ZINC001304191839 1067242197 /nfs/dbraw/zinc/24/21/97/1067242197.db2.gz GUYQQFCDNPWVBS-FQEVSTJZSA-N 1 1 452.603 3.121 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCCCCO)n2CC[N@@H+]2CCOC[C@@H]2C)c2ccccc2n1 ZINC001304191839 1067242204 /nfs/dbraw/zinc/24/22/04/1067242204.db2.gz GUYQQFCDNPWVBS-FQEVSTJZSA-N 1 1 452.603 3.121 20 0 JGADMO Cc1cc(C)nc(N2CCN(c3nnc(CC(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001304191983 1067242693 /nfs/dbraw/zinc/24/26/93/1067242693.db2.gz VWTYOCQTGGRFDB-UHFFFAOYSA-N 1 1 480.636 3.481 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001304192252 1067243159 /nfs/dbraw/zinc/24/31/59/1067243159.db2.gz NZPYFMUGQRZKCB-UYAOXDASSA-N 1 1 484.670 3.403 20 0 JGADMO Cc1cc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304194720 1067244144 /nfs/dbraw/zinc/24/41/44/1067244144.db2.gz BLCRKDIYHAAMLY-LJQANCHMSA-N 1 1 470.643 3.155 20 0 JGADMO Cc1cc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)no1 ZINC001304198566 1067248601 /nfs/dbraw/zinc/24/86/01/1067248601.db2.gz HKPWHKKTLIOWKY-MJGOQNOKSA-N 1 1 472.565 3.458 20 0 JGADMO Cc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)no1 ZINC001304205122 1067251489 /nfs/dbraw/zinc/25/14/89/1067251489.db2.gz LJALFCNXJQYQSE-RBUKOAKNSA-N 1 1 457.966 3.118 20 0 JGADMO Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)no1 ZINC001304207567 1067252887 /nfs/dbraw/zinc/25/28/87/1067252887.db2.gz ADYCRLSHPIEGFH-HSZRJFAPSA-N 1 1 452.603 3.467 20 0 JGADMO CC(C)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001302628174 1067258353 /nfs/dbraw/zinc/25/83/53/1067258353.db2.gz KRMVKSNUFCLIRY-FCHUYYIVSA-N 1 1 476.616 3.468 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302628828 1067258948 /nfs/dbraw/zinc/25/89/48/1067258948.db2.gz JUMWPMOMTMAICW-SFTDATJTSA-N 1 1 478.682 3.332 20 0 JGADMO CC(C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001302634103 1067263001 /nfs/dbraw/zinc/26/30/01/1067263001.db2.gz SNIOJGSTHOGJQJ-UHFFFAOYSA-N 1 1 477.604 3.441 20 0 JGADMO CC(C)c1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302646847 1067275958 /nfs/dbraw/zinc/27/59/58/1067275958.db2.gz IEMPAOMUCZGHCE-SFHVURJKSA-N 1 1 467.540 3.130 20 0 JGADMO CSc1ccc(F)cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302652570 1067278978 /nfs/dbraw/zinc/27/89/78/1067278978.db2.gz CSIGUUVPQUWKOQ-SFHVURJKSA-N 1 1 460.623 3.449 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302654058 1067281341 /nfs/dbraw/zinc/28/13/41/1067281341.db2.gz AVGUBBCYIBEHNA-HXUWFJFHSA-N 1 1 477.698 3.169 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302654058 1067281349 /nfs/dbraw/zinc/28/13/49/1067281349.db2.gz AVGUBBCYIBEHNA-HXUWFJFHSA-N 1 1 477.698 3.169 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302654058 1067281361 /nfs/dbraw/zinc/28/13/61/1067281361.db2.gz AVGUBBCYIBEHNA-HXUWFJFHSA-N 1 1 477.698 3.169 20 0 JGADMO CSc1cccc(F)c1Cn1c(-c2cnccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302654492 1067282583 /nfs/dbraw/zinc/28/25/83/1067282583.db2.gz AALJZOHDDWPWFL-CALCHBBNSA-N 1 1 471.606 3.190 20 0 JGADMO CSc1cccc(F)c1Cn1c(-c2cnccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302654492 1067282591 /nfs/dbraw/zinc/28/25/91/1067282591.db2.gz AALJZOHDDWPWFL-CALCHBBNSA-N 1 1 471.606 3.190 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302660777 1067288054 /nfs/dbraw/zinc/28/80/54/1067288054.db2.gz NWXAJKYKOHJIHI-UHFFFAOYSA-N 1 1 453.616 3.204 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(-c2cnccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001302660777 1067288061 /nfs/dbraw/zinc/28/80/61/1067288061.db2.gz NWXAJKYKOHJIHI-UHFFFAOYSA-N 1 1 453.616 3.204 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(Cc2ccncc2)n1CCC[NH+]1CCOCC1 ZINC001302662622 1067289866 /nfs/dbraw/zinc/28/98/66/1067289866.db2.gz COVVOOZTCMRESK-UHFFFAOYSA-N 1 1 452.628 3.345 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302667360 1067294772 /nfs/dbraw/zinc/29/47/72/1067294772.db2.gz XVBHNRHXNZWXSY-TZBSWOFLSA-N 1 1 495.734 3.397 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001302667704 1067294793 /nfs/dbraw/zinc/29/47/93/1067294793.db2.gz YPTQANZKUVBKET-XUVXKRRUSA-N 1 1 486.752 3.122 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(-c3ccccn3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001302668137 1067295740 /nfs/dbraw/zinc/29/57/40/1067295740.db2.gz IYZBBJAYLHGHDQ-NRFANRHFSA-N 1 1 457.692 3.336 20 0 JGADMO CS[C@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302670747 1067296769 /nfs/dbraw/zinc/29/67/69/1067296769.db2.gz BGNIYMHFKRPCDT-VQTJNVASSA-N 1 1 460.623 3.222 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001302673172 1067298809 /nfs/dbraw/zinc/29/88/09/1067298809.db2.gz BSQBKCKPZGSEIK-LJQANCHMSA-N 1 1 464.536 3.211 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302673385 1067298934 /nfs/dbraw/zinc/29/89/34/1067298934.db2.gz BYCOSPZYVUQLJM-WOJBJXKFSA-N 1 1 464.655 3.084 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304266678 1067299193 /nfs/dbraw/zinc/29/91/93/1067299193.db2.gz HTGSPHJKRGRIAF-UHFFFAOYSA-N 1 1 470.662 3.152 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304266678 1067299201 /nfs/dbraw/zinc/29/92/01/1067299201.db2.gz HTGSPHJKRGRIAF-UHFFFAOYSA-N 1 1 470.662 3.152 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001302674155 1067299830 /nfs/dbraw/zinc/29/98/30/1067299830.db2.gz JSYHLGLVGHEYHI-LJQANCHMSA-N 1 1 494.562 3.134 20 0 JGADMO Cc1ccc([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001304269445 1067303888 /nfs/dbraw/zinc/30/38/88/1067303888.db2.gz BZOLXVAMTUSWPH-UNMCSNQZSA-N 1 1 468.646 3.136 20 0 JGADMO Cc1ccc([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001304269441 1067303983 /nfs/dbraw/zinc/30/39/83/1067303983.db2.gz BZOLXVAMTUSWPH-IRLDBZIGSA-N 1 1 468.646 3.136 20 0 JGADMO CSCc1cccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001302686198 1067311610 /nfs/dbraw/zinc/31/16/10/1067311610.db2.gz DZOSWOXKNRPKPD-OAQYLSRUSA-N 1 1 456.660 3.056 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001304275184 1067312901 /nfs/dbraw/zinc/31/29/01/1067312901.db2.gz UELUDNBTKZCLDJ-LJQANCHMSA-N 1 1 465.602 3.161 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302689353 1067313710 /nfs/dbraw/zinc/31/37/10/1067313710.db2.gz LPHHVRYHFYJMJU-JOCHJYFZSA-N 1 1 488.080 3.102 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691789 1067317250 /nfs/dbraw/zinc/31/72/50/1067317250.db2.gz FUDQYPOELDOPOR-ISKFKSNPSA-N 1 1 481.689 3.055 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691789 1067317260 /nfs/dbraw/zinc/31/72/60/1067317260.db2.gz FUDQYPOELDOPOR-ISKFKSNPSA-N 1 1 481.689 3.055 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001304280518 1067320852 /nfs/dbraw/zinc/32/08/52/1067320852.db2.gz ZITXFEMQFNZHOF-QFIPXVFZSA-N 1 1 479.629 3.401 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302696501 1067321950 /nfs/dbraw/zinc/32/19/50/1067321950.db2.gz PDMQTNSGZYTMNX-DLBZAZTESA-N 1 1 483.480 3.214 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302696502 1067322009 /nfs/dbraw/zinc/32/20/09/1067322009.db2.gz PDMQTNSGZYTMNX-IAGOWNOFSA-N 1 1 483.480 3.214 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302697859 1067323549 /nfs/dbraw/zinc/32/35/49/1067323549.db2.gz BJAYRMQFHGXEGZ-TZIWHRDSSA-N 1 1 479.572 3.428 20 0 JGADMO CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302698687 1067323757 /nfs/dbraw/zinc/32/37/57/1067323757.db2.gz MCVRFBFYOLHGMN-QNWVGRARSA-N 1 1 488.702 3.172 20 0 JGADMO CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302698685 1067323913 /nfs/dbraw/zinc/32/39/13/1067323913.db2.gz MCVRFBFYOLHGMN-FUPPJEDESA-N 1 1 488.702 3.172 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304283340 1067324346 /nfs/dbraw/zinc/32/43/46/1067324346.db2.gz SEHYIAUNDDGXBA-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO CC(C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001302701675 1067325793 /nfs/dbraw/zinc/32/57/93/1067325793.db2.gz WEASXNADFDQNNG-ROUUACIJSA-N 1 1 452.372 3.396 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001302701675 1067325805 /nfs/dbraw/zinc/32/58/05/1067325805.db2.gz WEASXNADFDQNNG-ROUUACIJSA-N 1 1 452.372 3.396 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCOC(C)(C)C)c1 ZINC001304284620 1067326494 /nfs/dbraw/zinc/32/64/94/1067326494.db2.gz AVJSMYJQBHPMMN-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302704765 1067327005 /nfs/dbraw/zinc/32/70/05/1067327005.db2.gz NNRBRLJARANMMM-NQIIRXRSSA-N 1 1 454.402 3.353 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302708181 1067329889 /nfs/dbraw/zinc/32/98/89/1067329889.db2.gz VRZUJCCRVFQIQA-NNWRFLSQSA-N 1 1 491.727 3.423 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001304287613 1067330253 /nfs/dbraw/zinc/33/02/53/1067330253.db2.gz TWYWLIBKSJGKLN-NRFANRHFSA-N 1 1 457.619 3.200 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302709180 1067331301 /nfs/dbraw/zinc/33/13/01/1067331301.db2.gz KWWKYPSNYJGZIN-CEXWTWQISA-N 1 1 492.715 3.101 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 ZINC001304289896 1067336208 /nfs/dbraw/zinc/33/62/08/1067336208.db2.gz ZUPWDGSTSRTROL-JOCHJYFZSA-N 1 1 489.686 3.219 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1 ZINC001302720741 1067336685 /nfs/dbraw/zinc/33/66/85/1067336685.db2.gz BFIJUCYPDOFYIF-FPOVZHCZSA-N 1 1 454.958 3.244 20 0 JGADMO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1S(=O)(=O)NC(C)(C)C ZINC001302721169 1067336744 /nfs/dbraw/zinc/33/67/44/1067336744.db2.gz BYLHLVCAYPVARH-FQEVSTJZSA-N 1 1 459.612 3.085 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302721971 1067337477 /nfs/dbraw/zinc/33/74/77/1067337477.db2.gz FFVJJUYDQRWUCT-GOSISDBHSA-N 1 1 498.701 3.198 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CC=CCC1 ZINC001302725171 1067341113 /nfs/dbraw/zinc/34/11/13/1067341113.db2.gz SVRWSBBFDBGSQE-SFHVURJKSA-N 1 1 467.643 3.032 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304292707 1067341498 /nfs/dbraw/zinc/34/14/98/1067341498.db2.gz VTMRIDGLKRAAFJ-UHFFFAOYSA-N 1 1 454.619 3.015 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304293549 1067342555 /nfs/dbraw/zinc/34/25/55/1067342555.db2.gz ILQDRMZKWTZVCS-PUHATCMVSA-N 1 1 471.646 3.038 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302728405 1067344538 /nfs/dbraw/zinc/34/45/38/1067344538.db2.gz ZSLNOPZKPVOXSE-UUOWRZLLSA-N 1 1 496.722 3.037 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001302732512 1067346398 /nfs/dbraw/zinc/34/63/98/1067346398.db2.gz VXZFMWIZFUBCJJ-NJDAHSKKSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304297592 1067346417 /nfs/dbraw/zinc/34/64/17/1067346417.db2.gz XZPOQRKRJMEYKY-HDICACEKSA-N 1 1 455.607 3.333 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC001304301522 1067350082 /nfs/dbraw/zinc/35/00/82/1067350082.db2.gz WOLWHVOAISEYFL-IBGZPJMESA-N 1 1 466.405 3.374 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302743240 1067352884 /nfs/dbraw/zinc/35/28/84/1067352884.db2.gz JYWFZUZWTXKPQH-SFTDATJTSA-N 1 1 458.676 3.498 20 0 JGADMO Cc1ccc(-c2nnc(N(CCO)Cc3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001304307479 1067355006 /nfs/dbraw/zinc/35/50/06/1067355006.db2.gz UEGTWEKAQXPOKJ-QFIPXVFZSA-N 1 1 453.587 3.202 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001304311199 1067358487 /nfs/dbraw/zinc/35/84/87/1067358487.db2.gz XLVSCLVSDNFTCR-QUCCMNQESA-N 1 1 488.633 3.308 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001304311197 1067358683 /nfs/dbraw/zinc/35/86/83/1067358683.db2.gz XLVSCLVSDNFTCR-AZUAARDMSA-N 1 1 488.633 3.308 20 0 JGADMO CSCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302754249 1067359156 /nfs/dbraw/zinc/35/91/56/1067359156.db2.gz SJSVZFAYYOBIAJ-CQSZACIVSA-N 1 1 472.478 3.433 20 0 JGADMO CSCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302754249 1067359167 /nfs/dbraw/zinc/35/91/67/1067359167.db2.gz SJSVZFAYYOBIAJ-CQSZACIVSA-N 1 1 472.478 3.433 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H]2C)o1 ZINC001304312649 1067359782 /nfs/dbraw/zinc/35/97/82/1067359782.db2.gz VMFUURJJMVLDEL-OAHLLOKOSA-N 1 1 468.524 3.226 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)o1 ZINC001304318779 1067366005 /nfs/dbraw/zinc/36/60/05/1067366005.db2.gz BAVXNKCQRCRQRZ-IBGZPJMESA-N 1 1 472.634 3.088 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)o1 ZINC001304318779 1067366018 /nfs/dbraw/zinc/36/60/18/1067366018.db2.gz BAVXNKCQRCRQRZ-IBGZPJMESA-N 1 1 472.634 3.088 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)o1 ZINC001304319386 1067366824 /nfs/dbraw/zinc/36/68/24/1067366824.db2.gz YSYSAMULUMBTKD-HXUWFJFHSA-N 1 1 484.567 3.420 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)o1 ZINC001304319662 1067367177 /nfs/dbraw/zinc/36/71/77/1067367177.db2.gz FPMNDIMYKPKUHA-NHCUHLMSSA-N 1 1 486.661 3.072 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302772119 1067369695 /nfs/dbraw/zinc/36/96/95/1067369695.db2.gz JVWRTJXNDOUAFG-GHTZIAJQSA-N 1 1 466.001 3.446 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@@H+](Cc4ccccc4)CC3)n2CCCC(=O)N(C)C)o1 ZINC001304322714 1067370369 /nfs/dbraw/zinc/37/03/69/1067370369.db2.gz KZNCSPJNNXTYNI-UHFFFAOYSA-N 1 1 450.587 3.427 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CC[S@](=O)C(C)(C)C)o1 ZINC001304326552 1067375735 /nfs/dbraw/zinc/37/57/35/1067375735.db2.gz VXIWIHNQLLQQJH-IQVDJAOASA-N 1 1 463.648 3.083 20 0 JGADMO Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001304327170 1067376054 /nfs/dbraw/zinc/37/60/54/1067376054.db2.gz FDSGBONUUNCWEN-HNNXBMFYSA-N 1 1 466.449 3.067 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCS1 ZINC001302783757 1067377091 /nfs/dbraw/zinc/37/70/91/1067377091.db2.gz QKRVRRVRLOSTAW-VXKWHMMOSA-N 1 1 458.676 3.079 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1Br ZINC001304329027 1067377330 /nfs/dbraw/zinc/37/73/30/1067377330.db2.gz ZXYRXGYRWXXNBS-MJGOQNOKSA-N 1 1 478.435 3.088 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Br ZINC001304328817 1067377350 /nfs/dbraw/zinc/37/73/50/1067377350.db2.gz XQTWBGGRJWUZEX-LJQANCHMSA-N 1 1 478.435 3.209 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001302789044 1067380591 /nfs/dbraw/zinc/38/05/91/1067380591.db2.gz OLKDMUKLMFLKPO-KNQAVFIVSA-N 1 1 484.428 3.092 20 0 JGADMO CSCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302792272 1067383573 /nfs/dbraw/zinc/38/35/73/1067383573.db2.gz DLXAECWRWZEFPN-VAMGGRTRSA-N 1 1 453.697 3.354 20 0 JGADMO CSCCCN(C)c1nnc(Cc2ccsc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302793817 1067384820 /nfs/dbraw/zinc/38/48/20/1067384820.db2.gz KLZIQIDKMGSYKS-NRFANRHFSA-N 1 1 467.730 3.328 20 0 JGADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001304351733 1067392892 /nfs/dbraw/zinc/39/28/92/1067392892.db2.gz QBOFOWNFDLJWEI-QUCCMNQESA-N 1 1 488.683 3.017 20 0 JGADMO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001302807362 1067394876 /nfs/dbraw/zinc/39/48/76/1067394876.db2.gz DTSWESUHQZANQY-RTWAWAEBSA-N 1 1 476.069 3.271 20 0 JGADMO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1)[NH+](C)C ZINC001302807361 1067395047 /nfs/dbraw/zinc/39/50/47/1067395047.db2.gz DTSWESUHQZANQY-NHCUHLMSSA-N 1 1 476.069 3.271 20 0 JGADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807548 1067395067 /nfs/dbraw/zinc/39/50/67/1067395067.db2.gz RIBXRQSODQYCRT-HJOGWXRNSA-N 1 1 490.737 3.258 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C)cc2)n1 ZINC001304362395 1067400574 /nfs/dbraw/zinc/40/05/74/1067400574.db2.gz XTBCZHIJZABUAT-SZPZYZBQSA-N 1 1 451.619 3.042 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C)cc2)n1 ZINC001304362395 1067400579 /nfs/dbraw/zinc/40/05/79/1067400579.db2.gz XTBCZHIJZABUAT-SZPZYZBQSA-N 1 1 451.619 3.042 20 0 JGADMO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001302814617 1067401360 /nfs/dbraw/zinc/40/13/60/1067401360.db2.gz XXSQTNOFCCFXSM-TYPHKJRUSA-N 1 1 456.660 3.472 20 0 JGADMO Cc1ccc(Cn2c(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001304363210 1067401499 /nfs/dbraw/zinc/40/14/99/1067401499.db2.gz ZPBKPRCVXHUKPK-VRUMLPLGSA-N 1 1 471.646 3.221 20 0 JGADMO Cc1ccc(Cn2c(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001304363210 1067401506 /nfs/dbraw/zinc/40/15/06/1067401506.db2.gz ZPBKPRCVXHUKPK-VRUMLPLGSA-N 1 1 471.646 3.221 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001304373419 1067411179 /nfs/dbraw/zinc/41/11/79/1067411179.db2.gz VCGTVTSVSFYTOV-QFIPXVFZSA-N 1 1 467.662 3.316 20 0 JGADMO CC(C)C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001302823792 1067412495 /nfs/dbraw/zinc/41/24/95/1067412495.db2.gz VANMNJMDQDXBEX-QHCPKHFHSA-N 1 1 489.659 3.465 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CC=CCO2)cc1C ZINC001304374533 1067413444 /nfs/dbraw/zinc/41/34/44/1067413444.db2.gz FLLVIPAICNQZLW-JOCHJYFZSA-N 1 1 482.629 3.039 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CC=CCO2)cc1C ZINC001304374533 1067413448 /nfs/dbraw/zinc/41/34/48/1067413448.db2.gz FLLVIPAICNQZLW-JOCHJYFZSA-N 1 1 482.629 3.039 20 0 JGADMO CSCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302825191 1067414736 /nfs/dbraw/zinc/41/47/36/1067414736.db2.gz GBDBGXBGISINAY-OAQYLSRUSA-N 1 1 459.660 3.386 20 0 JGADMO CSCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001302825688 1067415723 /nfs/dbraw/zinc/41/57/23/1067415723.db2.gz BYYXWSLFWSQQLJ-CYFREDJKSA-N 1 1 494.706 3.404 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304375869 1067416228 /nfs/dbraw/zinc/41/62/28/1067416228.db2.gz RADPNPJHDUSSIS-QFIPXVFZSA-N 1 1 497.688 3.476 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302827556 1067417694 /nfs/dbraw/zinc/41/76/94/1067417694.db2.gz BPINGNCEPHYSAZ-GHTZIAJQSA-N 1 1 474.675 3.338 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001304376835 1067418965 /nfs/dbraw/zinc/41/89/65/1067418965.db2.gz BFQXHPHIJDFHHL-NRFANRHFSA-N 1 1 478.645 3.290 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001304377648 1067420353 /nfs/dbraw/zinc/42/03/53/1067420353.db2.gz HLNZOLGJLQRJFB-HXUWFJFHSA-N 1 1 495.628 3.394 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302834699 1067421836 /nfs/dbraw/zinc/42/18/36/1067421836.db2.gz CTSPUJZIASZRLT-NHCUHLMSSA-N 1 1 454.667 3.492 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCN2CC=CCC2)cc1C ZINC001304380011 1067426846 /nfs/dbraw/zinc/42/68/46/1067426846.db2.gz OGSIMOYLJCWTGG-UHFFFAOYSA-N 1 1 465.646 3.376 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304383379 1067432424 /nfs/dbraw/zinc/43/24/24/1067432424.db2.gz KSCVMFQIKIQEJP-GOSISDBHSA-N 1 1 475.588 3.017 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001304383205 1067432458 /nfs/dbraw/zinc/43/24/58/1067432458.db2.gz IYEPSWOQYPYUHX-HSZRJFAPSA-N 1 1 497.688 3.179 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)C)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001304383205 1067432460 /nfs/dbraw/zinc/43/24/60/1067432460.db2.gz IYEPSWOQYPYUHX-HSZRJFAPSA-N 1 1 497.688 3.179 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302847964 1067433558 /nfs/dbraw/zinc/43/35/58/1067433558.db2.gz BIYCKEKIYCIDJV-UHFFFAOYSA-N 1 1 486.690 3.097 20 0 JGADMO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001302849459 1067434563 /nfs/dbraw/zinc/43/45/63/1067434563.db2.gz MZNYVWJKOHSKTJ-HSZRJFAPSA-N 1 1 457.640 3.485 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001304384910 1067436580 /nfs/dbraw/zinc/43/65/80/1067436580.db2.gz VSAYJWCZZNZMDJ-RTWAWAEBSA-N 1 1 481.645 3.113 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001304384908 1067436604 /nfs/dbraw/zinc/43/66/04/1067436604.db2.gz VSAYJWCZZNZMDJ-NHCUHLMSSA-N 1 1 481.645 3.113 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304385997 1067439102 /nfs/dbraw/zinc/43/91/02/1067439102.db2.gz CEKSPRUGKCMERN-CTNGQTDRSA-N 1 1 454.619 3.493 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001302856596 1067439484 /nfs/dbraw/zinc/43/94/84/1067439484.db2.gz TTYSRUVPMIYQJN-OLMNPRSZSA-N 1 1 468.499 3.135 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](C)N1CCc2ccccc21 ZINC001302857805 1067440567 /nfs/dbraw/zinc/44/05/67/1067440567.db2.gz ZMOZHYBQYYLOJY-OAQYLSRUSA-N 1 1 454.663 3.475 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](C)N1CCc2ccccc21 ZINC001302857805 1067440569 /nfs/dbraw/zinc/44/05/69/1067440569.db2.gz ZMOZHYBQYYLOJY-OAQYLSRUSA-N 1 1 454.663 3.475 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3CCOCC3)C2)nc1 ZINC001304387541 1067443487 /nfs/dbraw/zinc/44/34/87/1067443487.db2.gz RQEJXUSAGFFOBG-OAQYLSRUSA-N 1 1 483.661 3.146 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(F)F ZINC001302866367 1067447304 /nfs/dbraw/zinc/44/73/04/1067447304.db2.gz MGQHTCQJNQAAOK-QGZVFWFLSA-N 1 1 497.612 3.083 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001304391580 1067451442 /nfs/dbraw/zinc/45/14/42/1067451442.db2.gz BLISTXLBDJZYJG-XZOQPEGZSA-N 1 1 471.646 3.495 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302874835 1067457932 /nfs/dbraw/zinc/45/79/32/1067457932.db2.gz CQDIUOLDXVGMGV-DEOSSOPVSA-N 1 1 488.721 3.499 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001302881165 1067462505 /nfs/dbraw/zinc/46/25/05/1067462505.db2.gz AGINQULRDVHZQF-FQEVSTJZSA-N 1 1 489.974 3.232 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302881557 1067463108 /nfs/dbraw/zinc/46/31/08/1067463108.db2.gz HJQRQNITQPSWHU-FQEVSTJZSA-N 1 1 472.581 3.496 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304403414 1067465877 /nfs/dbraw/zinc/46/58/77/1067465877.db2.gz IGOSLGOEIQYKSV-UHFFFAOYSA-N 1 1 481.645 3.111 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304403414 1067465882 /nfs/dbraw/zinc/46/58/82/1067465882.db2.gz IGOSLGOEIQYKSV-UHFFFAOYSA-N 1 1 481.645 3.111 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CC(F)(F)CO2)cc1C ZINC001304403839 1067466198 /nfs/dbraw/zinc/46/61/98/1067466198.db2.gz MFKOTUPDIATHHG-OAQYLSRUSA-N 1 1 493.599 3.445 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CC(F)(F)CO2)cc1C ZINC001304403839 1067466203 /nfs/dbraw/zinc/46/62/03/1067466203.db2.gz MFKOTUPDIATHHG-OAQYLSRUSA-N 1 1 493.599 3.445 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304403808 1067466307 /nfs/dbraw/zinc/46/63/07/1067466307.db2.gz LRNJAIGIIBRQAE-FUPPJEDESA-N 1 1 457.619 3.280 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1C ZINC001304405758 1067469222 /nfs/dbraw/zinc/46/92/22/1067469222.db2.gz MSMVHUZCZRNPGZ-OAQYLSRUSA-N 1 1 468.646 3.263 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001304405794 1067469264 /nfs/dbraw/zinc/46/92/64/1067469264.db2.gz MWOYBLNWXVKBHF-FCHUYYIVSA-N 1 1 471.646 3.324 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001302892084 1067471657 /nfs/dbraw/zinc/47/16/57/1067471657.db2.gz AKTNGGYTHPPIOQ-SFTDATJTSA-N 1 1 476.666 3.035 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001304407224 1067472048 /nfs/dbraw/zinc/47/20/48/1067472048.db2.gz YYMRTCXOBYZVPR-FGZHOGPDSA-N 1 1 468.646 3.200 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001302892300 1067472530 /nfs/dbraw/zinc/47/25/30/1067472530.db2.gz FHKGOLGVODEMBM-HXUWFJFHSA-N 1 1 476.666 3.035 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCOCC2)C[C@H](C)C1(F)F ZINC001302895151 1067475841 /nfs/dbraw/zinc/47/58/41/1067475841.db2.gz VHTZRIBEHDFLTE-HDICACEKSA-N 1 1 451.537 3.458 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001304411026 1067478265 /nfs/dbraw/zinc/47/82/65/1067478265.db2.gz NYLWTEVPDWCTNL-OAQYLSRUSA-N 1 1 468.646 3.391 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001304411328 1067479205 /nfs/dbraw/zinc/47/92/05/1067479205.db2.gz BXKNTMLNFCKUOW-VWLOTQADSA-N 1 1 454.619 3.063 20 0 JGADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302899029 1067480808 /nfs/dbraw/zinc/48/08/08/1067480808.db2.gz FMVNZYZHMFAVEP-UHFFFAOYSA-N 1 1 474.675 3.048 20 0 JGADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302899029 1067480811 /nfs/dbraw/zinc/48/08/11/1067480811.db2.gz FMVNZYZHMFAVEP-UHFFFAOYSA-N 1 1 474.675 3.048 20 0 JGADMO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302900936 1067484073 /nfs/dbraw/zinc/48/40/73/1067484073.db2.gz JHEDKDJEGQLRNZ-DEOSSOPVSA-N 1 1 465.708 3.468 20 0 JGADMO C[C@@H]1CCO[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302901985 1067486520 /nfs/dbraw/zinc/48/65/20/1067486520.db2.gz VQNJSPPCFKWEMG-OAFZBRQQSA-N 1 1 481.439 3.006 20 0 JGADMO C[C@@H]1CCO[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302901985 1067486524 /nfs/dbraw/zinc/48/65/24/1067486524.db2.gz VQNJSPPCFKWEMG-OAFZBRQQSA-N 1 1 481.439 3.006 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@@H]4CCCOC4)n3CCCOC(F)(F)F)CC2)C[C@H](C)O1 ZINC001302902236 1067486993 /nfs/dbraw/zinc/48/69/93/1067486993.db2.gz ZMVIAIOAHAOWSN-WSTZPKSXSA-N 1 1 489.583 3.424 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCS2)C[C@H](C)O1 ZINC001302902244 1067487021 /nfs/dbraw/zinc/48/70/21/1067487021.db2.gz ZQZWGVLVXWCMJS-JZXOWHBKSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCS2)C[C@H](C)O1 ZINC001302902244 1067487024 /nfs/dbraw/zinc/48/70/24/1067487024.db2.gz ZQZWGVLVXWCMJS-JZXOWHBKSA-N 1 1 497.507 3.487 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2(C)COCCO2)cc1C ZINC001304417224 1067489697 /nfs/dbraw/zinc/48/96/97/1067489697.db2.gz WNFHNYYEOCYKQA-VWLOTQADSA-N 1 1 457.619 3.200 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCN(C)c2ccccc2)C[C@H](C)O1 ZINC001302905251 1067489831 /nfs/dbraw/zinc/48/98/31/1067489831.db2.gz INWUUPPYRSSHMM-FUPPJEDESA-N 1 1 456.635 3.202 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCN(C)c2ccccc2)C[C@H](C)O1 ZINC001302905251 1067489836 /nfs/dbraw/zinc/48/98/36/1067489836.db2.gz INWUUPPYRSSHMM-FUPPJEDESA-N 1 1 456.635 3.202 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3F)n2Cc2ncccc2N(C)C)C[C@H](C)O1 ZINC001302905375 1067490249 /nfs/dbraw/zinc/49/02/49/1067490249.db2.gz MVVFSWHMLWUHNK-KDURUIRLSA-N 1 1 467.593 3.139 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3F)n2Cc2ncccc2N(C)C)C[C@H](C)O1 ZINC001302905375 1067490254 /nfs/dbraw/zinc/49/02/54/1067490254.db2.gz MVVFSWHMLWUHNK-KDURUIRLSA-N 1 1 467.593 3.139 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC001302905309 1067490293 /nfs/dbraw/zinc/49/02/93/1067490293.db2.gz KOAQKKSXFQFHJH-NSHGMRRFSA-N 1 1 497.562 3.469 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC001302905309 1067490299 /nfs/dbraw/zinc/49/02/99/1067490299.db2.gz KOAQKKSXFQFHJH-NSHGMRRFSA-N 1 1 497.562 3.469 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCOC3)n2CCc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001302905352 1067490503 /nfs/dbraw/zinc/49/05/03/1067490503.db2.gz MAGRAANBNNYSKI-NSHGMRRFSA-N 1 1 463.573 3.238 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCOC3)n2CCc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001302905352 1067490506 /nfs/dbraw/zinc/49/05/06/1067490506.db2.gz MAGRAANBNNYSKI-NSHGMRRFSA-N 1 1 463.573 3.238 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304417893 1067490691 /nfs/dbraw/zinc/49/06/91/1067490691.db2.gz GLPGLKPVOYVTFK-GOSISDBHSA-N 1 1 494.562 3.155 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3F)n2CCOc2ncccc2F)C[C@H](C)O1 ZINC001302905688 1067490724 /nfs/dbraw/zinc/49/07/24/1067490724.db2.gz UUBZKVLXKYMJCK-HDICACEKSA-N 1 1 472.540 3.243 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3F)n2CCOc2ncccc2F)C[C@H](C)O1 ZINC001302905688 1067490730 /nfs/dbraw/zinc/49/07/30/1067490730.db2.gz UUBZKVLXKYMJCK-HDICACEKSA-N 1 1 472.540 3.243 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001304417877 1067490766 /nfs/dbraw/zinc/49/07/66/1067490766.db2.gz GGEUAPWYEQDFKN-DHIUTWEWSA-N 1 1 470.662 3.195 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302905951 1067490884 /nfs/dbraw/zinc/49/08/84/1067490884.db2.gz WJFXZFNDHFXKTE-FOTFPPMPSA-N 1 1 463.667 3.396 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302905951 1067490889 /nfs/dbraw/zinc/49/08/89/1067490889.db2.gz WJFXZFNDHFXKTE-FOTFPPMPSA-N 1 1 463.667 3.396 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC001302907020 1067491926 /nfs/dbraw/zinc/49/19/26/1067491926.db2.gz DTPGWMMPLPEGJZ-HSALFYBXSA-N 1 1 472.659 3.171 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC001302907020 1067491932 /nfs/dbraw/zinc/49/19/32/1067491932.db2.gz DTPGWMMPLPEGJZ-HSALFYBXSA-N 1 1 472.659 3.171 20 0 JGADMO Cc1nc([C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCC[N@H+](C)C(C)C)CCO2)no1 ZINC001304418520 1067492660 /nfs/dbraw/zinc/49/26/60/1067492660.db2.gz BYXLFMCKRQATPU-NRFANRHFSA-N 1 1 469.590 3.165 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@H](C)O1 ZINC001302908437 1067492883 /nfs/dbraw/zinc/49/28/83/1067492883.db2.gz LMZUDQJACUNYOP-FUHIMQAGSA-N 1 1 499.990 3.480 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@H](C)O1 ZINC001302908437 1067492887 /nfs/dbraw/zinc/49/28/87/1067492887.db2.gz LMZUDQJACUNYOP-FUHIMQAGSA-N 1 1 499.990 3.480 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccn3)n2CCC[C@@H]2CCCCO2)C[C@H](C)O1 ZINC001302908222 1067492929 /nfs/dbraw/zinc/49/29/29/1067492929.db2.gz IVKXCXUSATUXIP-XJUOHMSHSA-N 1 1 456.635 3.159 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccn3)n2CCC[C@@H]2CCCCO2)C[C@H](C)O1 ZINC001302908222 1067492931 /nfs/dbraw/zinc/49/29/31/1067492931.db2.gz IVKXCXUSATUXIP-XJUOHMSHSA-N 1 1 456.635 3.159 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC3CCCC3)n2CCC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC001302908988 1067494129 /nfs/dbraw/zinc/49/41/29/1067494129.db2.gz OPGFCHLWTWIOJO-OYRHEFFESA-N 1 1 474.694 3.395 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC3CCCC3)n2CCC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC001302908988 1067494133 /nfs/dbraw/zinc/49/41/33/1067494133.db2.gz OPGFCHLWTWIOJO-OYRHEFFESA-N 1 1 474.694 3.395 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccc3F)n2C[C@H]2CSCCS2)C[C@H](C)O1 ZINC001302909374 1067494611 /nfs/dbraw/zinc/49/46/11/1067494611.db2.gz QGVDGFYQMHNHEZ-NSHGMRRFSA-N 1 1 479.691 3.402 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccc3F)n2C[C@H]2CSCCS2)C[C@H](C)O1 ZINC001302909374 1067494616 /nfs/dbraw/zinc/49/46/16/1067494616.db2.gz QGVDGFYQMHNHEZ-NSHGMRRFSA-N 1 1 479.691 3.402 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2CCCN2CCCCCC2=O)C[C@H](C)O1 ZINC001302909614 1067495188 /nfs/dbraw/zinc/49/51/88/1067495188.db2.gz WNQWAPLCFRIDDM-OYRHEFFESA-N 1 1 488.702 3.269 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2CCCN2CCCCCC2=O)C[C@H](C)O1 ZINC001302909614 1067495192 /nfs/dbraw/zinc/49/51/92/1067495192.db2.gz WNQWAPLCFRIDDM-OYRHEFFESA-N 1 1 488.702 3.269 20 0 JGADMO Cc1ccc(OCCCn2c(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001304423112 1067499537 /nfs/dbraw/zinc/49/95/37/1067499537.db2.gz AKXOMARDLJNPLZ-UHFFFAOYSA-N 1 1 482.673 3.488 20 0 JGADMO Cc1ccc(OCCCn2c(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001304423112 1067499541 /nfs/dbraw/zinc/49/95/41/1067499541.db2.gz AKXOMARDLJNPLZ-UHFFFAOYSA-N 1 1 482.673 3.488 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302918947 1067501006 /nfs/dbraw/zinc/50/10/06/1067501006.db2.gz IEAKCAXWLWDEAJ-YPAWHYETSA-N 1 1 465.708 3.392 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302920318 1067501329 /nfs/dbraw/zinc/50/13/29/1067501329.db2.gz SJJHZUDYGICBRJ-HBMCJLEFSA-N 1 1 451.681 3.002 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302921110 1067502123 /nfs/dbraw/zinc/50/21/23/1067502123.db2.gz VXCUNOXRKASPNZ-PUHATCMVSA-N 1 1 452.647 3.479 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302923701 1067503840 /nfs/dbraw/zinc/50/38/40/1067503840.db2.gz UAAMHKHJKOBHON-HXUWFJFHSA-N 1 1 478.682 3.423 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302923701 1067503850 /nfs/dbraw/zinc/50/38/50/1067503850.db2.gz UAAMHKHJKOBHON-HXUWFJFHSA-N 1 1 478.682 3.423 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304427080 1067504111 /nfs/dbraw/zinc/50/41/11/1067504111.db2.gz BGUASPYNEMKVOU-UHFFFAOYSA-N 1 1 450.587 3.275 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304427080 1067504116 /nfs/dbraw/zinc/50/41/16/1067504116.db2.gz BGUASPYNEMKVOU-UHFFFAOYSA-N 1 1 450.587 3.275 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001302931835 1067507535 /nfs/dbraw/zinc/50/75/35/1067507535.db2.gz MLDLCTMGYFWNGJ-HSZRJFAPSA-N 1 1 496.700 3.440 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001302931835 1067507546 /nfs/dbraw/zinc/50/75/46/1067507546.db2.gz MLDLCTMGYFWNGJ-HSZRJFAPSA-N 1 1 496.700 3.440 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302936429 1067509902 /nfs/dbraw/zinc/50/99/02/1067509902.db2.gz DPWBVSVQFURQNP-UHFFFAOYSA-N 1 1 456.683 3.044 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304431743 1067510051 /nfs/dbraw/zinc/51/00/51/1067510051.db2.gz RYSJPCWYFHGLMN-UHFFFAOYSA-N 1 1 467.643 3.416 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304431743 1067510056 /nfs/dbraw/zinc/51/00/56/1067510056.db2.gz RYSJPCWYFHGLMN-UHFFFAOYSA-N 1 1 467.643 3.416 20 0 JGADMO CC(C)Cc1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302937063 1067510358 /nfs/dbraw/zinc/51/03/58/1067510358.db2.gz HYWREIKTLPNODG-ZEQRLZLVSA-N 1 1 482.673 3.387 20 0 JGADMO FC(F)(F)CN1CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302937416 1067510911 /nfs/dbraw/zinc/51/09/11/1067510911.db2.gz NHTPJYZQKBHUHY-UHFFFAOYSA-N 1 1 462.564 3.400 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001302937469 1067511036 /nfs/dbraw/zinc/51/10/36/1067511036.db2.gz KYIUDXMVSWGRPZ-UHFFFAOYSA-N 1 1 470.710 3.435 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302938595 1067512055 /nfs/dbraw/zinc/51/20/55/1067512055.db2.gz JESWKNFHSCEBIP-TZRRMPRUSA-N 1 1 460.711 3.393 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302938595 1067512062 /nfs/dbraw/zinc/51/20/62/1067512062.db2.gz JESWKNFHSCEBIP-TZRRMPRUSA-N 1 1 460.711 3.393 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302945147 1067518004 /nfs/dbraw/zinc/51/80/04/1067518004.db2.gz FCXNZCDFAVLTFE-XMMPIXPASA-N 1 1 498.672 3.292 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1OC(C)C ZINC001302945278 1067518171 /nfs/dbraw/zinc/51/81/71/1067518171.db2.gz ZLTCDARQTTZXFV-JOCHJYFZSA-N 1 1 468.646 3.055 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302946305 1067519444 /nfs/dbraw/zinc/51/94/44/1067519444.db2.gz BCPGDRAJXHEGJW-FQEVSTJZSA-N 1 1 456.639 3.128 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001304439146 1067519790 /nfs/dbraw/zinc/51/97/90/1067519790.db2.gz RVOJZAHSLKUZCQ-UHFFFAOYSA-N 1 1 494.731 3.127 20 0 JGADMO Cc1ccc(SCCn2c(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)nnc2C(C)(C)C)cc1 ZINC001304440319 1067520755 /nfs/dbraw/zinc/52/07/55/1067520755.db2.gz DDPWAHYCENCZSW-NRFANRHFSA-N 1 1 470.687 3.419 20 0 JGADMO FC(F)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302947965 1067521558 /nfs/dbraw/zinc/52/15/58/1067521558.db2.gz LZOIEPUQAUYUPQ-UHFFFAOYSA-N 1 1 450.965 3.171 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001304441442 1067522290 /nfs/dbraw/zinc/52/22/90/1067522290.db2.gz VFTTYGVZVLXIAK-OAQYLSRUSA-N 1 1 469.659 3.321 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCNc1nccc(C(F)(F)F)n1 ZINC001302956756 1067528512 /nfs/dbraw/zinc/52/85/12/1067528512.db2.gz IWWWCFXPKPPLTM-QGZVFWFLSA-N 1 1 496.582 3.087 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302959227 1067531031 /nfs/dbraw/zinc/53/10/31/1067531031.db2.gz RHWWPIMKFAIBOZ-QHCPKHFHSA-N 1 1 481.689 3.358 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCOC1CCCCCC1 ZINC001302964116 1067534474 /nfs/dbraw/zinc/53/44/74/1067534474.db2.gz BCYCJXLIEDECAM-VWLOTQADSA-N 1 1 490.737 3.447 20 0 JGADMO Cc1nnc(CCCn2c(-c3cccc(C)n3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC001304453844 1067535153 /nfs/dbraw/zinc/53/51/53/1067535153.db2.gz ZVXQIWOUNMZLME-UHFFFAOYSA-N 1 1 484.674 3.236 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001302965382 1067535435 /nfs/dbraw/zinc/53/54/35/1067535435.db2.gz SDIXNETUBXUNJO-UHFFFAOYSA-N 1 1 451.681 3.004 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001302966183 1067536216 /nfs/dbraw/zinc/53/62/16/1067536216.db2.gz OFIDFIOKQMORNC-ILBGXUMGSA-N 1 1 468.690 3.403 20 0 JGADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001302966285 1067536235 /nfs/dbraw/zinc/53/62/35/1067536235.db2.gz PSWNMEGRDORGAN-JQVVWYNYSA-N 1 1 494.731 3.091 20 0 JGADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001302966286 1067536853 /nfs/dbraw/zinc/53/68/53/1067536853.db2.gz PSWNMEGRDORGAN-NNMXDRDESA-N 1 1 494.731 3.091 20 0 JGADMO Cc1ncc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC001304457018 1067537364 /nfs/dbraw/zinc/53/73/64/1067537364.db2.gz RYTYQWBJFBAISQ-LJQANCHMSA-N 1 1 455.632 3.407 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3cscn3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001304456773 1067537456 /nfs/dbraw/zinc/53/74/56/1067537456.db2.gz MVHZVPKMVICIEB-UHFFFAOYSA-N 1 1 454.648 3.015 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302971677 1067539703 /nfs/dbraw/zinc/53/97/03/1067539703.db2.gz GMWAJCAJGNRMAW-NLFFAJNJSA-N 1 1 462.683 3.061 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302972540 1067540153 /nfs/dbraw/zinc/54/01/53/1067540153.db2.gz POANNPBLCZSFHF-CPJSRVTESA-N 1 1 457.667 3.473 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302975551 1067542038 /nfs/dbraw/zinc/54/20/38/1067542038.db2.gz LMLPSVJIQLHUGG-DEOSSOPVSA-N 1 1 472.653 3.467 20 0 JGADMO Fc1ccccc1OCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302976743 1067542633 /nfs/dbraw/zinc/54/26/33/1067542633.db2.gz FMSUFTRONYBUAL-SFHVURJKSA-N 1 1 455.456 3.026 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304465093 1067543163 /nfs/dbraw/zinc/54/31/63/1067543163.db2.gz MUBHTEHPZZEIBE-HFSMHLIXSA-N 1 1 469.634 3.482 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304465369 1067543595 /nfs/dbraw/zinc/54/35/95/1067543595.db2.gz LTIKSHHQPHWSOX-INIZCTEOSA-N 1 1 450.509 3.481 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304467185 1067545778 /nfs/dbraw/zinc/54/57/78/1067545778.db2.gz IDHYYGJCHDKARH-FQEVSTJZSA-N 1 1 499.660 3.205 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304467185 1067545788 /nfs/dbraw/zinc/54/57/88/1067545788.db2.gz IDHYYGJCHDKARH-FQEVSTJZSA-N 1 1 499.660 3.205 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC001304469860 1067549325 /nfs/dbraw/zinc/54/93/25/1067549325.db2.gz ZZNXLRWUSGAEBR-SANMLTNESA-N 1 1 461.614 3.239 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304472914 1067551220 /nfs/dbraw/zinc/55/12/20/1067551220.db2.gz AJGONGYQSRLDDC-FCHUYYIVSA-N 1 1 453.635 3.216 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001304474138 1067551957 /nfs/dbraw/zinc/55/19/57/1067551957.db2.gz HTVOIJUPMCJDFR-JOCHJYFZSA-N 1 1 486.617 3.104 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC001304473682 1067552020 /nfs/dbraw/zinc/55/20/20/1067552020.db2.gz SQPBDKSYRWFXNJ-YADHBBJMSA-N 1 1 497.688 3.281 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304477095 1067555194 /nfs/dbraw/zinc/55/51/94/1067555194.db2.gz FALOUWMCVZZOQQ-PKTZIBPZSA-N 1 1 469.678 3.173 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001302998805 1067556998 /nfs/dbraw/zinc/55/69/98/1067556998.db2.gz SCDIQUWWPXKZEL-UNMCSNQZSA-N 1 1 489.686 3.068 20 0 JGADMO CC(C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001302998803 1067557135 /nfs/dbraw/zinc/55/71/35/1067557135.db2.gz SCDIQUWWPXKZEL-IRLDBZIGSA-N 1 1 489.686 3.068 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC001304478817 1067557997 /nfs/dbraw/zinc/55/79/97/1067557997.db2.gz MIAPJYOFSHFISX-VXKWHMMOSA-N 1 1 469.678 3.314 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+](C)Cc2ccccc2)n1 ZINC001304479267 1067558221 /nfs/dbraw/zinc/55/82/21/1067558221.db2.gz VOPFJMPICAONSQ-UHFFFAOYSA-N 1 1 461.614 3.085 20 0 JGADMO Cc1cccc(-c2nnc(N3CCO[C@H](c4noc(C(C)C)n4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304481892 1067561207 /nfs/dbraw/zinc/56/12/07/1067561207.db2.gz HVSDBDQNDQVRQM-FQEVSTJZSA-N 1 1 468.606 3.463 20 0 JGADMO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)n1 ZINC001304482052 1067561637 /nfs/dbraw/zinc/56/16/37/1067561637.db2.gz JTLQAKLPRXIAJY-UHFFFAOYSA-N 1 1 467.643 3.136 20 0 JGADMO Cc1cccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001304484211 1067563684 /nfs/dbraw/zinc/56/36/84/1067563684.db2.gz UJVDZLCFZSVWHE-LQWHRVPQSA-N 1 1 460.648 3.021 20 0 JGADMO Cc1cccc(-c2nnc(N3CCO[C@@H](c4nnc(C(C)C)o4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304484506 1067563995 /nfs/dbraw/zinc/56/39/95/1067563995.db2.gz TYWAKZAPZBDOII-LJQANCHMSA-N 1 1 454.579 3.073 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304485555 1067564637 /nfs/dbraw/zinc/56/46/37/1067564637.db2.gz PQPGIODKKIAQPF-IBGZPJMESA-N 1 1 466.590 3.347 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303010212 1067564771 /nfs/dbraw/zinc/56/47/71/1067564771.db2.gz UDHIWNVDJFASOX-CPJSRVTESA-N 1 1 459.610 3.430 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001303015543 1067570012 /nfs/dbraw/zinc/57/00/12/1067570012.db2.gz HYTPMTHNWIAARX-MUUNZHRXSA-N 1 1 497.732 3.446 20 0 JGADMO Cc1cccc(CCn2c(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001304493182 1067570327 /nfs/dbraw/zinc/57/03/27/1067570327.db2.gz ARBSTSSFAHIGRD-UHFFFAOYSA-N 1 1 452.647 3.261 20 0 JGADMO Cc1cccc(CCn2c(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001304493182 1067570333 /nfs/dbraw/zinc/57/03/33/1067570333.db2.gz ARBSTSSFAHIGRD-UHFFFAOYSA-N 1 1 452.647 3.261 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001304498880 1067574144 /nfs/dbraw/zinc/57/41/44/1067574144.db2.gz ZUMSYIXXEWIXLY-PZJWPPBQSA-N 1 1 467.662 3.084 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303023347 1067575817 /nfs/dbraw/zinc/57/58/17/1067575817.db2.gz WCAJNPSIGVEPDG-QKYMMTCKSA-N 1 1 463.667 3.179 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001304502148 1067576377 /nfs/dbraw/zinc/57/63/77/1067576377.db2.gz DHOFQJPKJAYMOP-CTNGQTDRSA-N 1 1 475.659 3.052 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC001304502148 1067576386 /nfs/dbraw/zinc/57/63/86/1067576386.db2.gz DHOFQJPKJAYMOP-CTNGQTDRSA-N 1 1 475.659 3.052 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2nccnc2C)c1 ZINC001304503407 1067577492 /nfs/dbraw/zinc/57/74/92/1067577492.db2.gz DPXIWBCGTLLCBD-OYRHEFFESA-N 1 1 479.629 3.052 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2nccnc2C)c1 ZINC001304503407 1067577498 /nfs/dbraw/zinc/57/74/98/1067577498.db2.gz DPXIWBCGTLLCBD-OYRHEFFESA-N 1 1 479.629 3.052 20 0 JGADMO CC(C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001303028111 1067578685 /nfs/dbraw/zinc/57/86/85/1067578685.db2.gz WSUJRHSRSFFLFU-UHFFFAOYSA-N 1 1 481.645 3.175 20 0 JGADMO CC(C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001303028111 1067578690 /nfs/dbraw/zinc/57/86/90/1067578690.db2.gz WSUJRHSRSFFLFU-UHFFFAOYSA-N 1 1 481.645 3.175 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001304509317 1067583737 /nfs/dbraw/zinc/58/37/37/1067583737.db2.gz ORSIQIZPVYLFFH-QHCPKHFHSA-N 1 1 489.686 3.301 20 0 JGADMO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001303040490 1067585540 /nfs/dbraw/zinc/58/55/40/1067585540.db2.gz YRHKVTGSVBFTPZ-IBGZPJMESA-N 1 1 493.027 3.066 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001304512651 1067589663 /nfs/dbraw/zinc/58/96/63/1067589663.db2.gz RUHIHAZGAFBYEY-QFIPXVFZSA-N 1 1 468.646 3.202 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001304515046 1067591992 /nfs/dbraw/zinc/59/19/92/1067591992.db2.gz MOERYAVZUWWXEO-NRFANRHFSA-N 1 1 459.660 3.389 20 0 JGADMO Cc1cccc2c1CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC[N@H+]1CCC[C@@H](C)C1)C2 ZINC001304516926 1067592790 /nfs/dbraw/zinc/59/27/90/1067592790.db2.gz RLSIUWGLKVXFEV-CTNGQTDRSA-N 1 1 488.702 3.272 20 0 JGADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304519977 1067595586 /nfs/dbraw/zinc/59/55/86/1067595586.db2.gz OJNIHIKMPUZPSM-OAQYLSRUSA-N 1 1 464.662 3.458 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCCNC(=O)C1CCC1 ZINC001304525994 1067598939 /nfs/dbraw/zinc/59/89/39/1067598939.db2.gz NNSLNJJITKXQTO-UHFFFAOYSA-N 1 1 468.646 3.107 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCCNC(=O)C1CCC1 ZINC001304525994 1067598949 /nfs/dbraw/zinc/59/89/49/1067598949.db2.gz NNSLNJJITKXQTO-UHFFFAOYSA-N 1 1 468.646 3.107 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001304526538 1067599418 /nfs/dbraw/zinc/59/94/18/1067599418.db2.gz VQMGTXPMZMTCCF-UHFFFAOYSA-N 1 1 485.658 3.099 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1nccn1C(F)F ZINC001304527286 1067599704 /nfs/dbraw/zinc/59/97/04/1067599704.db2.gz ZWJIMWAXGUUAKZ-UHFFFAOYSA-N 1 1 459.545 3.440 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1nccn1C(F)F ZINC001304527286 1067599712 /nfs/dbraw/zinc/59/97/12/1067599712.db2.gz ZWJIMWAXGUUAKZ-UHFFFAOYSA-N 1 1 459.545 3.440 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001304530239 1067601822 /nfs/dbraw/zinc/60/18/22/1067601822.db2.gz NREJRBANKGSRSM-UHFFFAOYSA-N 1 1 468.646 3.105 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001304530239 1067601829 /nfs/dbraw/zinc/60/18/29/1067601829.db2.gz NREJRBANKGSRSM-UHFFFAOYSA-N 1 1 468.646 3.105 20 0 JGADMO CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303067933 1067602648 /nfs/dbraw/zinc/60/26/48/1067602648.db2.gz JTANDBWRUBDKCM-DENIHFKCSA-N 1 1 472.609 3.346 20 0 JGADMO CC(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303069477 1067603979 /nfs/dbraw/zinc/60/39/79/1067603979.db2.gz UERYWNPZHFFKTN-NRFANRHFSA-N 1 1 475.037 3.209 20 0 JGADMO CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303069808 1067604306 /nfs/dbraw/zinc/60/43/06/1067604306.db2.gz UNWCNVJYCQIKLX-QFBILLFUSA-N 1 1 465.440 3.249 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001304534941 1067605411 /nfs/dbraw/zinc/60/54/11/1067605411.db2.gz KGJKLEANZYCVIQ-HXUWFJFHSA-N 1 1 488.702 3.236 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001304535266 1067605800 /nfs/dbraw/zinc/60/58/00/1067605800.db2.gz OUFZBEAICORJLG-NRFANRHFSA-N 1 1 480.579 3.437 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304536913 1067608129 /nfs/dbraw/zinc/60/81/29/1067608129.db2.gz INDJCRGZDGTSGB-TZIWHRDSSA-N 1 1 484.645 3.277 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304536913 1067608137 /nfs/dbraw/zinc/60/81/37/1067608137.db2.gz INDJCRGZDGTSGB-TZIWHRDSSA-N 1 1 484.645 3.277 20 0 JGADMO O=C(C[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCCO)CC1)N1CCCC1 ZINC001303079364 1067613245 /nfs/dbraw/zinc/61/32/45/1067613245.db2.gz GRSYWPCXNRJZLS-UHFFFAOYSA-N 1 1 489.064 3.286 20 0 JGADMO O=C(C[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCCO)CC1)N1CCCC1 ZINC001303079364 1067613248 /nfs/dbraw/zinc/61/32/48/1067613248.db2.gz GRSYWPCXNRJZLS-UHFFFAOYSA-N 1 1 489.064 3.286 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC[N@@H+]1CC=CCC1 ZINC001304546959 1067615959 /nfs/dbraw/zinc/61/59/59/1067615959.db2.gz LDGAHHHLTFLRSK-UHFFFAOYSA-N 1 1 466.674 3.234 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCc2cnccn2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304548049 1067616750 /nfs/dbraw/zinc/61/67/50/1067616750.db2.gz LSNLRFBHNMFNJB-SZPZYZBQSA-N 1 1 463.630 3.146 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCC(=O)N1CCCCC1 ZINC001304547605 1067616887 /nfs/dbraw/zinc/61/68/87/1067616887.db2.gz JFSJVBNQAJZISV-ZRZAMGCNSA-N 1 1 482.673 3.125 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCC(=O)N1CCCCC1 ZINC001304547605 1067616892 /nfs/dbraw/zinc/61/68/92/1067616892.db2.gz JFSJVBNQAJZISV-ZRZAMGCNSA-N 1 1 482.673 3.125 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304556401 1067625222 /nfs/dbraw/zinc/62/52/22/1067625222.db2.gz LGGCBWMDWFVNDC-HSZRJFAPSA-N 1 1 496.700 3.277 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304556402 1067625230 /nfs/dbraw/zinc/62/52/30/1067625230.db2.gz LGGCBWMDWFVNDC-QHCPKHFHSA-N 1 1 496.700 3.277 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001304556877 1067625640 /nfs/dbraw/zinc/62/56/40/1067625640.db2.gz NNVUKJQPMVMAEU-RRPUWOKSSA-N 1 1 473.687 3.311 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001304556876 1067625688 /nfs/dbraw/zinc/62/56/88/1067625688.db2.gz NNVUKJQPMVMAEU-NWSQWKLXSA-N 1 1 473.687 3.311 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCNC(=O)C(C)C ZINC001304559347 1067628246 /nfs/dbraw/zinc/62/82/46/1067628246.db2.gz JUFOJDCHVONJAX-FQEVSTJZSA-N 1 1 452.647 3.260 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001304559107 1067628363 /nfs/dbraw/zinc/62/83/63/1067628363.db2.gz IDOOIROKXCIMKI-JOCHJYFZSA-N 1 1 473.687 3.455 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[S@](=O)C(C)(C)C ZINC001304560523 1067629917 /nfs/dbraw/zinc/62/99/17/1067629917.db2.gz SVLJBDMQDSWTBM-IFXFPORBSA-N 1 1 487.714 3.414 20 0 JGADMO Cc1ccccc1CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304567302 1067635657 /nfs/dbraw/zinc/63/56/57/1067635657.db2.gz HGDSLVIGRWWEQA-OYRHEFFESA-N 1 1 468.646 3.233 20 0 JGADMO Cc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304567938 1067636270 /nfs/dbraw/zinc/63/62/70/1067636270.db2.gz AWYRMMNLFGBBEK-UHFFFAOYSA-N 1 1 477.613 3.077 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001303099851 1067637808 /nfs/dbraw/zinc/63/78/08/1067637808.db2.gz BEGGZKNJGBVXAY-RTWAWAEBSA-N 1 1 468.646 3.427 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CC(=O)N(C)C)cc1 ZINC001303099901 1067637847 /nfs/dbraw/zinc/63/78/47/1067637847.db2.gz BRJOHZMYPVMHDR-NRFANRHFSA-N 1 1 454.619 3.133 20 0 JGADMO Cc1ccccc1O[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304572785 1067641057 /nfs/dbraw/zinc/64/10/57/1067641057.db2.gz JILDQQGXZSBGLK-ACESQOTJSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1ccccc1O[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304572785 1067641065 /nfs/dbraw/zinc/64/10/65/1067641065.db2.gz JILDQQGXZSBGLK-ACESQOTJSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304573305 1067641817 /nfs/dbraw/zinc/64/18/17/1067641817.db2.gz NKPADAQLOUMMPY-XMMPIXPASA-N 1 1 455.628 3.211 20 0 JGADMO Cc1ccccc1OCCCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001304575054 1067643848 /nfs/dbraw/zinc/64/38/48/1067643848.db2.gz MXKSSSYNACQQFY-UHFFFAOYSA-N 1 1 454.619 3.099 20 0 JGADMO Cc1ccccc1O[C@@H](C)Cn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C ZINC001304575273 1067643861 /nfs/dbraw/zinc/64/38/61/1067643861.db2.gz YUQSZCNTKFQEQR-LEWJYISDSA-N 1 1 468.646 3.094 20 0 JGADMO Cc1ccccc1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304581902 1067650794 /nfs/dbraw/zinc/65/07/94/1067650794.db2.gz WFVVAEYOJRJCBO-OAQYLSRUSA-N 1 1 489.686 3.126 20 0 JGADMO CC(C)CCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303113271 1067651357 /nfs/dbraw/zinc/65/13/57/1067651357.db2.gz LQGNISOOSAMPAO-LJQANCHMSA-N 1 1 465.545 3.130 20 0 JGADMO CC(C)CCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303113271 1067651360 /nfs/dbraw/zinc/65/13/60/1067651360.db2.gz LQGNISOOSAMPAO-LJQANCHMSA-N 1 1 465.545 3.130 20 0 JGADMO CCOC(=O)c1csc(CC2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001303115493 1067652668 /nfs/dbraw/zinc/65/26/68/1067652668.db2.gz MGWAIHGIOGMSKW-HXUWFJFHSA-N 1 1 456.612 3.408 20 0 JGADMO CC(C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001303119102 1067658034 /nfs/dbraw/zinc/65/80/34/1067658034.db2.gz HOTRJYVPOWQFND-XXBNENTESA-N 1 1 477.600 3.367 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC=C(C)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304596623 1067660175 /nfs/dbraw/zinc/66/01/75/1067660175.db2.gz FEHNXRWSSIAREQ-HSZRJFAPSA-N 1 1 450.631 3.276 20 0 JGADMO Cc1cnn(C[C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CCO2)c1 ZINC001304600339 1067664001 /nfs/dbraw/zinc/66/40/01/1067664001.db2.gz BGFRJHRKNJQELU-FGZHOGPDSA-N 1 1 457.667 3.397 20 0 JGADMO Cc1cnn(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CCO2)c1 ZINC001304600341 1067664038 /nfs/dbraw/zinc/66/40/38/1067664038.db2.gz BGFRJHRKNJQELU-YADHBBJMSA-N 1 1 457.667 3.397 20 0 JGADMO Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccccc4F)n3CCC[N@H+](C)C(C)C)CCO2)c1 ZINC001304604696 1067670961 /nfs/dbraw/zinc/67/09/61/1067670961.db2.gz WBVHNSIMMXAZNX-FQEVSTJZSA-N 1 1 455.582 3.225 20 0 JGADMO O[C@@H](C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC(F)(F)F)CC1)c1ccccc1 ZINC001303135472 1067675943 /nfs/dbraw/zinc/67/59/43/1067675943.db2.gz IAEAPDNKFLSNIB-VQTJNVASSA-N 1 1 483.535 3.302 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCSCC1 ZINC001303143526 1067682326 /nfs/dbraw/zinc/68/23/26/1067682326.db2.gz GGIKAMGDLACCAU-SFHVURJKSA-N 1 1 467.586 3.337 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001303144194 1067683297 /nfs/dbraw/zinc/68/32/97/1067683297.db2.gz NJIHEYZBRAKRCW-QUCCMNQESA-N 1 1 466.552 3.280 20 0 JGADMO CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC001303146930 1067685366 /nfs/dbraw/zinc/68/53/66/1067685366.db2.gz ZLDWYTHRHDWQTA-HXUWFJFHSA-N 1 1 469.634 3.299 20 0 JGADMO CC(C)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCCC(C)(C)C1)C1CCCC1 ZINC001303147139 1067685382 /nfs/dbraw/zinc/68/53/82/1067685382.db2.gz FXSUPPKVLDKJIS-LJQANCHMSA-N 1 1 468.712 3.415 20 0 JGADMO OCCCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303148837 1067687144 /nfs/dbraw/zinc/68/71/44/1067687144.db2.gz ASFKIQNXXNOFGB-KRWDZBQOSA-N 1 1 498.853 3.435 20 0 JGADMO OCCCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303148837 1067687151 /nfs/dbraw/zinc/68/71/51/1067687151.db2.gz ASFKIQNXXNOFGB-KRWDZBQOSA-N 1 1 498.853 3.435 20 0 JGADMO OCCCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303150405 1067688181 /nfs/dbraw/zinc/68/81/81/1067688181.db2.gz NVNYPIDQESFYBU-KRWDZBQOSA-N 1 1 498.491 3.480 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCSCC1 ZINC001303153084 1067690190 /nfs/dbraw/zinc/69/01/90/1067690190.db2.gz OZEYENCFDWZAMU-CQSZACIVSA-N 1 1 472.478 3.169 20 0 JGADMO CC(C)CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC001303160805 1067696947 /nfs/dbraw/zinc/69/69/47/1067696947.db2.gz YDPOJVASFHYDPS-WOJBJXKFSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304626403 1067696970 /nfs/dbraw/zinc/69/69/70/1067696970.db2.gz SRGQLOBNKBFRIA-RTBURBONSA-N 1 1 474.675 3.408 20 0 JGADMO CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303167699 1067702751 /nfs/dbraw/zinc/70/27/51/1067702751.db2.gz NVHHMPPMHDUDEG-PWRODBHTSA-N 1 1 476.666 3.206 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303172396 1067704948 /nfs/dbraw/zinc/70/49/48/1067704948.db2.gz FWBZCHIHWVQHKG-GOSISDBHSA-N 1 1 489.462 3.354 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)CC2)C1 ZINC001303172444 1067705468 /nfs/dbraw/zinc/70/54/68/1067705468.db2.gz GUVIUSLUPTVPHV-INIZCTEOSA-N 1 1 495.491 3.463 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3ccccc3)C2)C1 ZINC001303172547 1067705873 /nfs/dbraw/zinc/70/58/73/1067705873.db2.gz IVKVBUXPPXBPSE-JTHBVZDNSA-N 1 1 468.646 3.362 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3cccs3)CC2)C1 ZINC001303172780 1067706465 /nfs/dbraw/zinc/70/64/65/1067706465.db2.gz NBQHAJQKEQPDOB-NRFANRHFSA-N 1 1 487.718 3.168 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001303173499 1067706988 /nfs/dbraw/zinc/70/69/88/1067706988.db2.gz RKDOYWHLMGJKJL-IAGOWNOFSA-N 1 1 494.482 3.114 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCCC3)C2)C1 ZINC001303174364 1067707881 /nfs/dbraw/zinc/70/78/81/1067707881.db2.gz XTOHRPFNGXIUMK-RTWAWAEBSA-N 1 1 480.723 3.417 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCCC3)C2)C1 ZINC001303174365 1067708050 /nfs/dbraw/zinc/70/80/50/1067708050.db2.gz XTOHRPFNGXIUMK-SFTDATJTSA-N 1 1 480.723 3.417 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001303175244 1067708799 /nfs/dbraw/zinc/70/87/99/1067708799.db2.gz JFFJMIYXBKLPQH-HXUWFJFHSA-N 1 1 460.667 3.276 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(CO)CC2)C1 ZINC001303177722 1067710606 /nfs/dbraw/zinc/71/06/06/1067710606.db2.gz HWYYYIZCQXVASO-HSZRJFAPSA-N 1 1 455.647 3.476 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001303178449 1067711137 /nfs/dbraw/zinc/71/11/37/1067711137.db2.gz LDBRWHRWJKHNMG-YADHBBJMSA-N 1 1 460.667 3.370 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001303179082 1067712843 /nfs/dbraw/zinc/71/28/43/1067712843.db2.gz QBTKEQGVZBGSMP-BHDDXSALSA-N 1 1 497.750 3.436 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001303179447 1067713230 /nfs/dbraw/zinc/71/32/30/1067713230.db2.gz WBIRAULTEMACPG-ZEQRLZLVSA-N 1 1 470.662 3.262 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](COC(C)C)C2)C1 ZINC001303179445 1067713299 /nfs/dbraw/zinc/71/32/99/1067713299.db2.gz WBIRAULTEMACPG-DNQXCXABSA-N 1 1 470.662 3.262 20 0 JGADMO Cc1nc([C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CCC[N@H+](C)C(C)C)CCO2)no1 ZINC001304647185 1067715056 /nfs/dbraw/zinc/71/50/56/1067715056.db2.gz XTOXQJNBXLFOQL-KRWDZBQOSA-N 1 1 493.410 3.035 20 0 JGADMO Cc1nc([C@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CCC[N@H+](C)C(C)C)CCO2)no1 ZINC001304647186 1067715105 /nfs/dbraw/zinc/71/51/05/1067715105.db2.gz XTOXQJNBXLFOQL-QGZVFWFLSA-N 1 1 493.410 3.035 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CC=CCC2)CC1=O ZINC001303183221 1067715866 /nfs/dbraw/zinc/71/58/66/1067715866.db2.gz BCBDDZRSVPOEBA-UHFFFAOYSA-N 1 1 487.446 3.274 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+](C)Cc2ccccc2)cs1 ZINC001304648698 1067716445 /nfs/dbraw/zinc/71/64/45/1067716445.db2.gz OHTZQCRTQKVGGP-UHFFFAOYSA-N 1 1 469.659 3.117 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1=O ZINC001303184762 1067718611 /nfs/dbraw/zinc/71/86/11/1067718611.db2.gz ORHPYIRRDFFICX-OALUTQOASA-N 1 1 475.037 3.012 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1=O ZINC001303184762 1067718621 /nfs/dbraw/zinc/71/86/21/1067718621.db2.gz ORHPYIRRDFFICX-OALUTQOASA-N 1 1 475.037 3.012 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001303185958 1067721584 /nfs/dbraw/zinc/72/15/84/1067721584.db2.gz RTDGXEFIZNQGNN-GOSISDBHSA-N 1 1 466.051 3.344 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304656041 1067724296 /nfs/dbraw/zinc/72/42/96/1067724296.db2.gz FLJUNFUDKGETOD-PMACEKPBSA-N 1 1 489.734 3.301 20 0 JGADMO CC(C)CN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1=O ZINC001303190893 1067724987 /nfs/dbraw/zinc/72/49/87/1067724987.db2.gz PTPFKWLZQMHGOH-ZCNNSNEGSA-N 1 1 460.667 3.127 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1=O ZINC001303191678 1067725741 /nfs/dbraw/zinc/72/57/41/1067725741.db2.gz GMDQNZJXTNDCCU-ISKFKSNPSA-N 1 1 482.673 3.387 20 0 JGADMO Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001304658814 1067726951 /nfs/dbraw/zinc/72/69/51/1067726951.db2.gz LGVQAXCBSKTSCK-OKZBNKHCSA-N 1 1 462.664 3.137 20 0 JGADMO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1=O ZINC001303197058 1067731589 /nfs/dbraw/zinc/73/15/89/1067731589.db2.gz NDMMSMJBRPHCQO-JOCHJYFZSA-N 1 1 496.700 3.440 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1=O ZINC001303197605 1067732410 /nfs/dbraw/zinc/73/24/10/1067732410.db2.gz XDKDQVCLBLBASY-GGAORHGYSA-N 1 1 467.662 3.077 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(COc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001303198487 1067733379 /nfs/dbraw/zinc/73/33/79/1067733379.db2.gz CCDIXXWVNUFTDL-QFIPXVFZSA-N 1 1 488.652 3.131 20 0 JGADMO Cc1nc(Cc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304667862 1067735829 /nfs/dbraw/zinc/73/58/29/1067735829.db2.gz JVLOAHKYGVCASB-WOJBJXKFSA-N 1 1 487.718 3.449 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC[C@H]2C)C1 ZINC001303200861 1067736578 /nfs/dbraw/zinc/73/65/78/1067736578.db2.gz GDQMHCKHXBMSTI-XLIONFOSSA-N 1 1 465.545 3.128 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@H]3CCCO3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001303201312 1067737165 /nfs/dbraw/zinc/73/71/65/1067737165.db2.gz KTRGFFXKQINJCT-BHIFYINESA-N 1 1 460.667 3.192 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCOC[C@H]2C)C1 ZINC001303201582 1067737208 /nfs/dbraw/zinc/73/72/08/1067737208.db2.gz MFBQEROVPHASEZ-HZPDHXFCSA-N 1 1 484.464 3.351 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCOC[C@@H]2C)C1 ZINC001303201581 1067737325 /nfs/dbraw/zinc/73/73/25/1067737325.db2.gz MFBQEROVPHASEZ-HOTGVXAUSA-N 1 1 484.464 3.351 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C2CCC2)C1 ZINC001303201288 1067737377 /nfs/dbraw/zinc/73/73/77/1067737377.db2.gz KGLFRUPLDXWOBJ-KRWDZBQOSA-N 1 1 451.413 3.381 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2ccsc2)C1 ZINC001303201838 1067737735 /nfs/dbraw/zinc/73/77/35/1067737735.db2.gz PZGAVVRJNHTEMQ-UXHICEINSA-N 1 1 460.648 3.176 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C)C2)C1 ZINC001303201882 1067737831 /nfs/dbraw/zinc/73/78/31/1067737831.db2.gz QWSDSGFJYNXOSR-ZCNNSNEGSA-N 1 1 461.582 3.139 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)C1 ZINC001303202480 1067738617 /nfs/dbraw/zinc/73/86/17/1067738617.db2.gz ZDGUOPZQNKUHSE-IBGZPJMESA-N 1 1 496.990 3.064 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)cs1 ZINC001304670080 1067738855 /nfs/dbraw/zinc/73/88/55/1067738855.db2.gz NCVWLATUTWVEKE-INIZCTEOSA-N 1 1 454.591 3.226 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304670145 1067738946 /nfs/dbraw/zinc/73/89/46/1067738946.db2.gz NRODYARQRFCJQF-PKOBYXMFSA-N 1 1 473.691 3.236 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001303203865 1067739402 /nfs/dbraw/zinc/73/94/02/1067739402.db2.gz CIWKEOWAPASAIZ-AEFFLSMTSA-N 1 1 495.455 3.276 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCC(C)(F)F)cs1 ZINC001304670705 1067739726 /nfs/dbraw/zinc/73/97/26/1067739726.db2.gz RLTJVBPHTWDCSD-HNNXBMFYSA-N 1 1 454.591 3.369 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N(C)Cc3ccc(F)cc3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303204220 1067740507 /nfs/dbraw/zinc/74/05/07/1067740507.db2.gz LPARCQSCNDRJAM-OZXSUGGESA-N 1 1 489.636 3.451 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001304672141 1067741430 /nfs/dbraw/zinc/74/14/30/1067741430.db2.gz AASBFDLIQGUMIT-FQEVSTJZSA-N 1 1 487.718 3.449 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001304672235 1067741455 /nfs/dbraw/zinc/74/14/55/1067741455.db2.gz AUTMQQZYVVRPDZ-OAQYLSRUSA-N 1 1 487.718 3.306 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C3CCC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303205026 1067742287 /nfs/dbraw/zinc/74/22/87/1067742287.db2.gz OLBQGWHYPSYCJZ-HLAWJBBLSA-N 1 1 476.666 3.252 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304673278 1067742893 /nfs/dbraw/zinc/74/28/93/1067742893.db2.gz PEKYURPZNSTJGJ-IAGOWNOFSA-N 1 1 485.624 3.439 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC3CC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC001303205600 1067743369 /nfs/dbraw/zinc/74/33/69/1067743369.db2.gz RXUGYFSIXRXLBZ-OAQYLSRUSA-N 1 1 475.037 3.316 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2C[C@@](C)(O)CCC(C)C)cs1 ZINC001304673875 1067743757 /nfs/dbraw/zinc/74/37/57/1067743757.db2.gz FDJIBDWNDBQALU-URXFXBBRSA-N 1 1 476.691 3.122 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001303206549 1067744154 /nfs/dbraw/zinc/74/41/54/1067744154.db2.gz TYNBYDDSSNZYRG-OAQYLSRUSA-N 1 1 456.635 3.015 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001303206585 1067744199 /nfs/dbraw/zinc/74/41/99/1067744199.db2.gz UFQXUNNLYPNWNG-NZSAHSFTSA-N 1 1 487.592 3.443 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001303206488 1067744252 /nfs/dbraw/zinc/74/42/52/1067744252.db2.gz SYJDKPRXYRKLTO-NRFANRHFSA-N 1 1 462.038 3.494 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001303206584 1067744294 /nfs/dbraw/zinc/74/42/94/1067744294.db2.gz UFQXUNNLYPNWNG-NEWSRXKRSA-N 1 1 487.592 3.443 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303206933 1067744686 /nfs/dbraw/zinc/74/46/86/1067744686.db2.gz WWNQIFIKMMMOID-NHCUHLMSSA-N 1 1 499.660 3.048 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001304674668 1067745359 /nfs/dbraw/zinc/74/53/59/1067745359.db2.gz UMPPHGFCSUUATG-HNNXBMFYSA-N 1 1 489.587 3.141 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001304676225 1067747722 /nfs/dbraw/zinc/74/77/22/1067747722.db2.gz BFYFWYCXPWQORB-GOSISDBHSA-N 1 1 477.679 3.468 20 0 JGADMO CC(C)COC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001303210554 1067748248 /nfs/dbraw/zinc/74/82/48/1067748248.db2.gz NOCDQOSECUZHNM-JOCHJYFZSA-N 1 1 483.661 3.301 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cs1 ZINC001304676541 1067748638 /nfs/dbraw/zinc/74/86/38/1067748638.db2.gz YFRKQTKWKOXDCT-HYBUGGRVSA-N 1 1 476.691 3.122 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001303213865 1067751404 /nfs/dbraw/zinc/75/14/04/1067751404.db2.gz WOWOTOBOWQMHQB-NRFANRHFSA-N 1 1 486.665 3.248 20 0 JGADMO Cc1nc(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)C2)no1 ZINC001304680103 1067753014 /nfs/dbraw/zinc/75/30/14/1067753014.db2.gz VOKMCQOYMLDDAC-VQTJNVASSA-N 1 1 459.639 3.083 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303216797 1067754074 /nfs/dbraw/zinc/75/40/74/1067754074.db2.gz YUTDPBBFPHVWGG-QFIPXVFZSA-N 1 1 476.666 3.207 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001304691355 1067764707 /nfs/dbraw/zinc/76/47/07/1067764707.db2.gz WRIHKGMWXXQBCX-IVZQSRNASA-N 1 1 460.579 3.025 20 0 JGADMO CC(C)COCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001303236732 1067768299 /nfs/dbraw/zinc/76/82/99/1067768299.db2.gz YBPZCHPIMHJECU-UHFFFAOYSA-N 1 1 486.636 3.428 20 0 JGADMO Cc1ncc(Cn2c(CCc3ccccc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001304699173 1067769539 /nfs/dbraw/zinc/76/95/39/1067769539.db2.gz GTBSFVJLUGQQJU-UHFFFAOYSA-N 1 1 454.644 3.424 20 0 JGADMO Cc1ncc(Cn2c(CCc3ccccc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001304699173 1067769549 /nfs/dbraw/zinc/76/95/49/1067769549.db2.gz GTBSFVJLUGQQJU-UHFFFAOYSA-N 1 1 454.644 3.424 20 0 JGADMO Cc1ncc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304700249 1067770684 /nfs/dbraw/zinc/77/06/84/1067770684.db2.gz VAMOMOJXTAYVBY-CALCHBBNSA-N 1 1 458.607 3.367 20 0 JGADMO Cc1ncc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304700249 1067770694 /nfs/dbraw/zinc/77/06/94/1067770694.db2.gz VAMOMOJXTAYVBY-CALCHBBNSA-N 1 1 458.607 3.367 20 0 JGADMO CC(C)CSCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303243732 1067771861 /nfs/dbraw/zinc/77/18/61/1067771861.db2.gz QTDJKVSHCNVIHO-IFMALSPDSA-N 1 1 458.676 3.200 20 0 JGADMO CC(C)CSCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303243734 1067772055 /nfs/dbraw/zinc/77/20/55/1067772055.db2.gz QTDJKVSHCNVIHO-RBBKRZOGSA-N 1 1 458.676 3.200 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(OC(C)(C)C)CC2)cn1 ZINC001304701241 1067772110 /nfs/dbraw/zinc/77/21/10/1067772110.db2.gz BRTLMBVJRRATQS-UHFFFAOYSA-N 1 1 480.617 3.138 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@@H](C)CC(N)=O)cn1 ZINC001304701784 1067772668 /nfs/dbraw/zinc/77/26/68/1067772668.db2.gz NLOBKPXAFAXONK-AWEZNQCLSA-N 1 1 482.951 3.375 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1F ZINC001304701851 1067773019 /nfs/dbraw/zinc/77/30/19/1067773019.db2.gz PXMIEWSDOBHKOI-GCKMJXCFSA-N 1 1 490.605 3.069 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)Cc2cccc(C(N)=O)c2)cn1 ZINC001304701811 1067773042 /nfs/dbraw/zinc/77/30/42/1067773042.db2.gz ODWAWNPWDDNZEJ-UHFFFAOYSA-N 1 1 458.570 3.149 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC(N)=O)cn1 ZINC001304701821 1067773170 /nfs/dbraw/zinc/77/31/70/1067773170.db2.gz ORONXINJZAYZOT-INIZCTEOSA-N 1 1 478.988 3.160 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1F ZINC001304701852 1067773243 /nfs/dbraw/zinc/77/32/43/1067773243.db2.gz PXMIEWSDOBHKOI-VWKPWSFCSA-N 1 1 490.605 3.069 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(CC2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001304702825 1067775137 /nfs/dbraw/zinc/77/51/37/1067775137.db2.gz IZYKUJUCSKBUKY-UHFFFAOYSA-N 1 1 467.540 3.111 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001304703405 1067775848 /nfs/dbraw/zinc/77/58/48/1067775848.db2.gz GHAUODPVXJJXGM-HKUYNNGSSA-N 1 1 490.605 3.166 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001304703628 1067776005 /nfs/dbraw/zinc/77/60/05/1067776005.db2.gz RUYCCFIGTWIXEK-HKUYNNGSSA-N 1 1 469.556 3.230 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001304703648 1067776090 /nfs/dbraw/zinc/77/60/90/1067776090.db2.gz SIPNUDUGCAXNLY-SFHVURJKSA-N 1 1 476.551 3.322 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccnc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001304705405 1067777698 /nfs/dbraw/zinc/77/76/98/1067777698.db2.gz PKTQWUZLZTYNFE-PXNSSMCTSA-N 1 1 466.590 3.285 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001304704856 1067777711 /nfs/dbraw/zinc/77/77/11/1067777711.db2.gz JUOSBYCEMVCGMK-ZWKOTPCHSA-N 1 1 456.616 3.426 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001304705802 1067778748 /nfs/dbraw/zinc/77/87/48/1067778748.db2.gz VEYSYFBOLMAKLK-MJGOQNOKSA-N 1 1 468.606 3.228 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001304708759 1067780332 /nfs/dbraw/zinc/78/03/32/1067780332.db2.gz DUEKUTRHKFDAIZ-UHFFFAOYSA-N 1 1 480.523 3.212 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001303254936 1067780374 /nfs/dbraw/zinc/78/03/74/1067780374.db2.gz PXPDSSVSJXYIFT-FQEVSTJZSA-N 1 1 468.646 3.293 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCOC(C)(C)[C@H]1C ZINC001303254937 1067780431 /nfs/dbraw/zinc/78/04/31/1067780431.db2.gz PXPDSSVSJXYIFT-HXUWFJFHSA-N 1 1 468.646 3.293 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001303255066 1067780829 /nfs/dbraw/zinc/78/08/29/1067780829.db2.gz ULRHUTDCOSFCSB-UUWRZZSWSA-N 1 1 489.690 3.029 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC1 ZINC001303255119 1067780897 /nfs/dbraw/zinc/78/08/97/1067780897.db2.gz WEJITORUFMCETO-UHFFFAOYSA-N 1 1 499.063 3.200 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001304710112 1067781148 /nfs/dbraw/zinc/78/11/48/1067781148.db2.gz DCKZLMFCZGQWKK-INIZCTEOSA-N 1 1 454.556 3.344 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001303255179 1067781257 /nfs/dbraw/zinc/78/12/57/1067781257.db2.gz YDAGFMFSTDPMME-XZOQPEGZSA-N 1 1 489.686 3.074 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001304710464 1067781579 /nfs/dbraw/zinc/78/15/79/1067781579.db2.gz IYKLTOFSCISPAV-SCTDSRPQSA-N 1 1 491.662 3.122 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001304711093 1067782087 /nfs/dbraw/zinc/78/20/87/1067782087.db2.gz PJLNMDZYLAADHS-IYBDPMFKSA-N 1 1 474.034 3.397 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303255648 1067782314 /nfs/dbraw/zinc/78/23/14/1067782314.db2.gz NEKMFXLUKUAILD-JOCHJYFZSA-N 1 1 486.636 3.136 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001303255913 1067782631 /nfs/dbraw/zinc/78/26/31/1067782631.db2.gz SMCAUMNJPZDYIM-UHFFFAOYSA-N 1 1 489.668 3.479 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCS(C)(=O)=O)CC1 ZINC001303255976 1067783013 /nfs/dbraw/zinc/78/30/13/1067783013.db2.gz GJQRPMNIGORVKJ-UHFFFAOYSA-N 1 1 486.686 3.428 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001303256449 1067783401 /nfs/dbraw/zinc/78/34/01/1067783401.db2.gz KSUUBCVVXYWWLG-LJQANCHMSA-N 1 1 482.599 3.119 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001304712458 1067783607 /nfs/dbraw/zinc/78/36/07/1067783607.db2.gz JZEMZNDYESUIDZ-UHFFFAOYSA-N 1 1 472.981 3.256 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001304712920 1067784077 /nfs/dbraw/zinc/78/40/77/1067784077.db2.gz BVLDLFNLRGGGDY-FQEVSTJZSA-N 1 1 483.592 3.190 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)NCC(F)F)CC1 ZINC001303257179 1067784118 /nfs/dbraw/zinc/78/41/18/1067784118.db2.gz TVNZVZJQKUOOLP-UHFFFAOYSA-N 1 1 487.599 3.375 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001304713338 1067784761 /nfs/dbraw/zinc/78/47/61/1067784761.db2.gz UXSXFILJJZRYET-HXUWFJFHSA-N 1 1 469.565 3.317 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CC(=O)NC2CCCCC2)CC1 ZINC001303257643 1067784710 /nfs/dbraw/zinc/78/47/10/1067784710.db2.gz XDYVGYMKFWTDML-UHFFFAOYSA-N 1 1 453.635 3.346 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001303258287 1067784956 /nfs/dbraw/zinc/78/49/56/1067784956.db2.gz LNWORHWKXVIPCZ-OAQYLSRUSA-N 1 1 469.634 3.268 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001303259791 1067786314 /nfs/dbraw/zinc/78/63/14/1067786314.db2.gz ZIUQQUFWYFFDJR-UHFFFAOYSA-N 1 1 496.681 3.294 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001304715401 1067786857 /nfs/dbraw/zinc/78/68/57/1067786857.db2.gz SGKBBIONXHVQAB-AREMUKBSSA-N 1 1 487.693 3.427 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCO1 ZINC001303261449 1067787702 /nfs/dbraw/zinc/78/77/02/1067787702.db2.gz ISTRDIMWLAWUDG-QGZVFWFLSA-N 1 1 453.429 3.392 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304716319 1067787867 /nfs/dbraw/zinc/78/78/67/1067787867.db2.gz WYXOEUHBJUZVBV-BKMJKUGQSA-N 1 1 487.693 3.426 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001303261599 1067787951 /nfs/dbraw/zinc/78/79/51/1067787951.db2.gz OTWXXPCGSKQJJM-UHFFFAOYSA-N 1 1 498.035 3.031 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001304716650 1067788549 /nfs/dbraw/zinc/78/85/49/1067788549.db2.gz WOWRYQWWDNWVIX-BRWVUGGUSA-N 1 1 456.513 3.169 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnccn2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001304718914 1067790411 /nfs/dbraw/zinc/79/04/11/1067790411.db2.gz GDKNGHJTANAIBQ-SFHVURJKSA-N 1 1 451.623 3.234 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 ZINC001303263442 1067790643 /nfs/dbraw/zinc/79/06/43/1067790643.db2.gz CSVJLAHMNHGPML-SFHVURJKSA-N 1 1 463.424 3.358 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304720181 1067791489 /nfs/dbraw/zinc/79/14/89/1067791489.db2.gz RRVQZTVSVPYJIJ-SVMVAKDDSA-N 1 1 473.666 3.394 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001303264063 1067791577 /nfs/dbraw/zinc/79/15/77/1067791577.db2.gz AHYFQSJQLTXJFP-HYBUGGRVSA-N 1 1 462.038 3.350 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001303264772 1067791953 /nfs/dbraw/zinc/79/19/53/1067791953.db2.gz XMYGDOQQBCAWSL-UHFFFAOYSA-N 1 1 463.630 3.037 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001303264473 1067792021 /nfs/dbraw/zinc/79/20/21/1067792021.db2.gz BVKBECQSMMSACU-MRXNPFEDSA-N 1 1 459.620 3.249 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001303266473 1067793668 /nfs/dbraw/zinc/79/36/68/1067793668.db2.gz QRWLTFXSEFRVSH-RBUKOAKNSA-N 1 1 450.628 3.353 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001303267002 1067794193 /nfs/dbraw/zinc/79/41/93/1067794193.db2.gz XJMBVLBJEMMUHI-RXVVDRJESA-N 1 1 478.663 3.095 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001303266609 1067794291 /nfs/dbraw/zinc/79/42/91/1067794291.db2.gz RVKLKRTXTNWOLS-QHCPKHFHSA-N 1 1 480.078 3.268 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001303267566 1067794651 /nfs/dbraw/zinc/79/46/51/1067794651.db2.gz DNCGIMNQDIHIIR-HXUWFJFHSA-N 1 1 492.690 3.391 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCc2cccc(Br)c2C1 ZINC001303267758 1067794700 /nfs/dbraw/zinc/79/47/00/1067794700.db2.gz HYYTWKCKDHXWLN-UHFFFAOYSA-N 1 1 489.462 3.456 20 0 JGADMO CC(C)[N@H+](C)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001303267749 1067794825 /nfs/dbraw/zinc/79/48/25/1067794825.db2.gz HOOJFCFZOIEUSZ-VWNXMTODSA-N 1 1 471.669 3.167 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001303267749 1067794832 /nfs/dbraw/zinc/79/48/32/1067794832.db2.gz HOOJFCFZOIEUSZ-VWNXMTODSA-N 1 1 471.669 3.167 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001303267776 1067794910 /nfs/dbraw/zinc/79/49/10/1067794910.db2.gz IQODSBQQHOJYNO-INIZCTEOSA-N 1 1 454.591 3.481 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(Br)o1 ZINC001303268109 1067795797 /nfs/dbraw/zinc/79/57/97/1067795797.db2.gz ANCJTLRESNOXLO-UHFFFAOYSA-N 1 1 476.379 3.258 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(COc2ccccc2)CC1 ZINC001303268206 1067795918 /nfs/dbraw/zinc/79/59/18/1067795918.db2.gz CJYDSLBURWBKSW-UHFFFAOYSA-N 1 1 454.619 3.150 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(Cc2cccnc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001304724788 1067796563 /nfs/dbraw/zinc/79/65/63/1067796563.db2.gz OPDLEDMBXVUFKP-UHFFFAOYSA-N 1 1 450.635 3.219 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001303268642 1067796751 /nfs/dbraw/zinc/79/67/51/1067796751.db2.gz RNAQOWZDAGOYJR-JOCHJYFZSA-N 1 1 454.619 3.099 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001303268643 1067796796 /nfs/dbraw/zinc/79/67/96/1067796796.db2.gz RNAQOWZDAGOYJR-QFIPXVFZSA-N 1 1 454.619 3.099 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303268756 1067796824 /nfs/dbraw/zinc/79/68/24/1067796824.db2.gz LZOFWSSXSPYMTR-RUZDIDTESA-N 1 1 485.608 3.212 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303268928 1067797278 /nfs/dbraw/zinc/79/72/78/1067797278.db2.gz UKXAOLLSDGTLOA-UHFFFAOYSA-N 1 1 457.623 3.051 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cccc(Br)c2C1 ZINC001303268883 1067797432 /nfs/dbraw/zinc/79/74/32/1067797432.db2.gz OSYVMFDTMPSYOA-UHFFFAOYSA-N 1 1 475.435 3.180 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1COc2ccccc2O1 ZINC001303268885 1067797478 /nfs/dbraw/zinc/79/74/78/1067797478.db2.gz SCJFHJXQCKAAFX-NRFANRHFSA-N 1 1 450.587 3.270 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001303269277 1067797798 /nfs/dbraw/zinc/79/77/98/1067797798.db2.gz WOCABPZJMQRSQV-GHTZIAJQSA-N 1 1 463.648 3.461 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001303269446 1067798371 /nfs/dbraw/zinc/79/83/71/1067798371.db2.gz YSJNHWKFTZMOKY-HSZRJFAPSA-N 1 1 486.636 3.280 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cccnn2)CC1 ZINC001303269988 1067798681 /nfs/dbraw/zinc/79/86/81/1067798681.db2.gz DFTFMNGCQVEDBB-UHFFFAOYSA-N 1 1 491.463 3.226 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001304726271 1067798844 /nfs/dbraw/zinc/79/88/44/1067798844.db2.gz SWNZZHZXFNZBEU-UHFFFAOYSA-N 1 1 488.681 3.064 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001303270400 1067799189 /nfs/dbraw/zinc/79/91/89/1067799189.db2.gz KAYWXSSNRGRWIB-QGZVFWFLSA-N 1 1 456.591 3.465 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001303271651 1067800797 /nfs/dbraw/zinc/80/07/97/1067800797.db2.gz QLVLQKYBRUGUEY-NRFANRHFSA-N 1 1 464.408 3.044 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001303272038 1067801021 /nfs/dbraw/zinc/80/10/21/1067801021.db2.gz XTCKYHWZJKCPNT-ROUUACIJSA-N 1 1 460.648 3.035 20 0 JGADMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273179 1067801770 /nfs/dbraw/zinc/80/17/70/1067801770.db2.gz IDBQNHGEBMCLKG-HOTGVXAUSA-N 1 1 458.282 3.357 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001303275601 1067802838 /nfs/dbraw/zinc/80/28/38/1067802838.db2.gz FESQXXUGPBXBJK-GOSISDBHSA-N 1 1 459.982 3.154 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001303275441 1067802960 /nfs/dbraw/zinc/80/29/60/1067802960.db2.gz WUCQJEGXJYFJAD-FQEVSTJZSA-N 1 1 461.973 3.389 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cnccn1 ZINC001303276039 1067803309 /nfs/dbraw/zinc/80/33/09/1067803309.db2.gz IMFDINQQYGVXJW-UHFFFAOYSA-N 1 1 472.638 3.159 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001303277603 1067805146 /nfs/dbraw/zinc/80/51/46/1067805146.db2.gz SDBSGVGWLREGOX-UHFFFAOYSA-N 1 1 467.662 3.269 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 ZINC001303277943 1067805241 /nfs/dbraw/zinc/80/52/41/1067805241.db2.gz XCBJFAOZTBXDOY-YLJYHZDGSA-N 1 1 478.435 3.463 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001303278424 1067806300 /nfs/dbraw/zinc/80/63/00/1067806300.db2.gz DCBTYMBVWUJQCC-VQTJNVASSA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303278477 1067806654 /nfs/dbraw/zinc/80/66/54/1067806654.db2.gz GJCCIIKKZCDKFP-INIZCTEOSA-N 1 1 451.040 3.266 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001303278904 1067807799 /nfs/dbraw/zinc/80/77/99/1067807799.db2.gz UPSBHFMLIWOEHT-UHFFFAOYSA-N 1 1 490.052 3.189 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CCC[NH+]2CCOCC2)n1 ZINC001304734078 1067807734 /nfs/dbraw/zinc/80/77/34/1067807734.db2.gz BXMFOYQZQOUCCE-FQEVSTJZSA-N 1 1 455.582 3.199 20 0 JGADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CCOc4ccccc4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001304734883 1067809183 /nfs/dbraw/zinc/80/91/83/1067809183.db2.gz DXRFLHJRUBEJQV-JOCHJYFZSA-N 1 1 466.634 3.290 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001304739529 1067813627 /nfs/dbraw/zinc/81/36/27/1067813627.db2.gz FINPFTSBDKPMNN-UHFFFAOYSA-N 1 1 491.562 3.304 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC001304741066 1067816619 /nfs/dbraw/zinc/81/66/19/1067816619.db2.gz PCZHAODVDQSJQR-NRFANRHFSA-N 1 1 491.562 3.143 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCN(C)c3ccccc3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304745402 1067824747 /nfs/dbraw/zinc/82/47/47/1067824747.db2.gz PWDNPLKBYGZGSC-OAQYLSRUSA-N 1 1 450.635 3.197 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCC(F)(F)F)C1 ZINC001303303049 1067828173 /nfs/dbraw/zinc/82/81/73/1067828173.db2.gz RNQFSTDRMATARP-MRXNPFEDSA-N 1 1 453.513 3.434 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303303939 1067829582 /nfs/dbraw/zinc/82/95/82/1067829582.db2.gz AYFOWQVXQRLUQY-RTWAWAEBSA-N 1 1 451.681 3.145 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C1 ZINC001303304120 1067830404 /nfs/dbraw/zinc/83/04/04/1067830404.db2.gz CIHPOUJTKVNTKH-HXUWFJFHSA-N 1 1 455.582 3.450 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCc2ccccc2)CC1 ZINC001303304009 1067830523 /nfs/dbraw/zinc/83/05/23/1067830523.db2.gz CBTJNPZVKBPBAQ-UHFFFAOYSA-N 1 1 463.586 3.063 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001303304565 1067831111 /nfs/dbraw/zinc/83/11/11/1067831111.db2.gz OCAFSCBOWSZGFC-FHWLQOOXSA-N 1 1 465.639 3.462 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001303304714 1067831974 /nfs/dbraw/zinc/83/19/74/1067831974.db2.gz OPWFYCLUGVBBHF-GJZGRUSLSA-N 1 1 485.580 3.461 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303304639 1067832312 /nfs/dbraw/zinc/83/23/12/1067832312.db2.gz IXEHKJNMMZLFOC-PMACEKPBSA-N 1 1 465.689 3.064 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCOc2ccccc2)C1 ZINC001303304947 1067832768 /nfs/dbraw/zinc/83/27/68/1067832768.db2.gz LDWFBOCFRSJIMV-OAQYLSRUSA-N 1 1 454.619 3.036 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303305632 1067833853 /nfs/dbraw/zinc/83/38/53/1067833853.db2.gz VJGOMUDUBGNVCU-IBGZPJMESA-N 1 1 468.067 3.124 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001303307655 1067835810 /nfs/dbraw/zinc/83/58/10/1067835810.db2.gz GOCACTDCSSNQKO-NRFANRHFSA-N 1 1 462.589 3.222 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)c2ccccc2F)CC1 ZINC001303309549 1067837042 /nfs/dbraw/zinc/83/70/42/1067837042.db2.gz CYTHJLBDOUDMDM-UHFFFAOYSA-N 1 1 454.598 3.265 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnccn3)n2CCCN(C)c2ccccc2F)CC1 ZINC001303309885 1067837675 /nfs/dbraw/zinc/83/76/75/1067837675.db2.gz IKKMKNLSMQYXTK-UHFFFAOYSA-N 1 1 452.582 3.321 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CC1 ZINC001303310410 1067838306 /nfs/dbraw/zinc/83/83/06/1067838306.db2.gz HWKZZIFEIXGNRK-HXUWFJFHSA-N 1 1 477.053 3.152 20 0 JGADMO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001303310737 1067838968 /nfs/dbraw/zinc/83/89/68/1067838968.db2.gz KLKLVDSXAQJTCV-UHFFFAOYSA-N 1 1 496.077 3.256 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001303310737 1067838970 /nfs/dbraw/zinc/83/89/70/1067838970.db2.gz KLKLVDSXAQJTCV-UHFFFAOYSA-N 1 1 496.077 3.256 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001303310535 1067839036 /nfs/dbraw/zinc/83/90/36/1067839036.db2.gz NNDSVGWUUYUZHQ-OAQYLSRUSA-N 1 1 486.617 3.236 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001304755840 1067839303 /nfs/dbraw/zinc/83/93/03/1067839303.db2.gz HBJKZRZDAWHYSM-ZEQRLZLVSA-N 1 1 498.720 3.249 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001303310837 1067839652 /nfs/dbraw/zinc/83/96/52/1067839652.db2.gz QZXYAQFIQDLNTD-HSALFYBXSA-N 1 1 460.667 3.380 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001303310810 1067839680 /nfs/dbraw/zinc/83/96/80/1067839680.db2.gz QFMGTUTUJIZYND-UHFFFAOYSA-N 1 1 454.619 3.382 20 0 JGADMO CC(C)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001303310801 1067839733 /nfs/dbraw/zinc/83/97/33/1067839733.db2.gz MFMFFZXYPFEJMU-QFIPXVFZSA-N 1 1 453.679 3.317 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304756397 1067840108 /nfs/dbraw/zinc/84/01/08/1067840108.db2.gz NWSBHXMYJNASKV-HSZRJFAPSA-N 1 1 498.720 3.250 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnccn3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001303311289 1067840557 /nfs/dbraw/zinc/84/05/57/1067840557.db2.gz YGWLSOMUVBDODR-UHFFFAOYSA-N 1 1 490.534 3.234 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCCN2CCOCC2)CC1 ZINC001303311868 1067841129 /nfs/dbraw/zinc/84/11/29/1067841129.db2.gz PHOXPDGGPMABHJ-UHFFFAOYSA-N 1 1 491.478 3.350 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001304759314 1067844500 /nfs/dbraw/zinc/84/45/00/1067844500.db2.gz JDWUZMIFCFNBAC-RDPSFJRHSA-N 1 1 471.675 3.491 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001303317144 1067845267 /nfs/dbraw/zinc/84/52/67/1067845267.db2.gz RGRAXHKXNZKFKN-SSEXGKCCSA-N 1 1 496.475 3.061 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(=O)N(C)C)CC2)CC1 ZINC001303317538 1067846478 /nfs/dbraw/zinc/84/64/78/1067846478.db2.gz YRWIIQGZOQAIBO-UHFFFAOYSA-N 1 1 495.716 3.326 20 0 JGADMO CC(C)N1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001303317677 1067847072 /nfs/dbraw/zinc/84/70/72/1067847072.db2.gz ABBOPEARTBWSMR-QHCPKHFHSA-N 1 1 489.753 3.071 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCSC3(C)C)CC2)C1 ZINC001303318156 1067848761 /nfs/dbraw/zinc/84/87/61/1067848761.db2.gz JHOBPTSDGHTJGJ-NHCUHLMSSA-N 1 1 478.751 3.339 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001304762535 1067849654 /nfs/dbraw/zinc/84/96/54/1067849654.db2.gz JWLQNQOJJDRYJE-HXUWFJFHSA-N 1 1 495.525 3.178 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCC(C)(C)C)CC2)CC1 ZINC001303318547 1067850218 /nfs/dbraw/zinc/85/02/18/1067850218.db2.gz UTBLWALBPYRIHK-NRFANRHFSA-N 1 1 494.750 3.001 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCOc4ccccc4)CC3)n2CCC(C)(F)F)n1 ZINC001304762612 1067850232 /nfs/dbraw/zinc/85/02/32/1067850232.db2.gz CPYIKPSKTZVMCY-UHFFFAOYSA-N 1 1 473.572 3.386 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303324789 1067853805 /nfs/dbraw/zinc/85/38/05/1067853805.db2.gz QXIHYAQUSDMSKU-IBGZPJMESA-N 1 1 473.641 3.026 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001303327218 1067855615 /nfs/dbraw/zinc/85/56/15/1067855615.db2.gz HGFQAYQRTTVVOO-HMXCVIKNSA-N 1 1 490.599 3.330 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCc1nccs1 ZINC001303328346 1067856503 /nfs/dbraw/zinc/85/65/03/1067856503.db2.gz PDFMBEIHGNLCGR-HXUWFJFHSA-N 1 1 467.643 3.216 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCCC(F)(F)F ZINC001303328692 1067856650 /nfs/dbraw/zinc/85/66/50/1067856650.db2.gz PDSCLDFZPQQGQB-SFHVURJKSA-N 1 1 452.525 3.470 20 0 JGADMO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(Cc4csc(C)n4)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001304766702 1067857003 /nfs/dbraw/zinc/85/70/03/1067857003.db2.gz GDPXJOULWZTCGA-OAQYLSRUSA-N 1 1 485.706 3.489 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001303330021 1067859135 /nfs/dbraw/zinc/85/91/35/1067859135.db2.gz JMKMZGSMXJBUKB-LJQANCHMSA-N 1 1 456.635 3.168 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001303330021 1067859141 /nfs/dbraw/zinc/85/91/41/1067859141.db2.gz JMKMZGSMXJBUKB-LJQANCHMSA-N 1 1 456.635 3.168 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303334044 1067862988 /nfs/dbraw/zinc/86/29/88/1067862988.db2.gz JQKSXZSEKAHJGF-LJQANCHMSA-N 1 1 453.635 3.136 20 0 JGADMO Cc1cc(C)n(CCCn2c(Cc3csc(C)n3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001304772445 1067865126 /nfs/dbraw/zinc/86/51/26/1067865126.db2.gz LXCIMMIDRMPYTA-UHFFFAOYSA-N 1 1 486.690 3.084 20 0 JGADMO Cc1cc(C)n(CCCn2c(Cc3csc(C)n3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001304772445 1067865134 /nfs/dbraw/zinc/86/51/34/1067865134.db2.gz LXCIMMIDRMPYTA-UHFFFAOYSA-N 1 1 486.690 3.084 20 0 JGADMO Cc1nnc([C@@H]2CN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001304774412 1067867481 /nfs/dbraw/zinc/86/74/81/1067867481.db2.gz KGNQZFPVWPQPLG-JXFKEZNVSA-N 1 1 473.553 3.167 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCn1ccc2ccccc21 ZINC001303341756 1067869962 /nfs/dbraw/zinc/86/99/62/1067869962.db2.gz DVYLPSWNVUBOBP-OYRHEFFESA-N 1 1 481.645 3.007 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCn1ccc2ccccc21 ZINC001303341756 1067869968 /nfs/dbraw/zinc/86/99/68/1067869968.db2.gz DVYLPSWNVUBOBP-OYRHEFFESA-N 1 1 481.645 3.007 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303341189 1067870057 /nfs/dbraw/zinc/87/00/57/1067870057.db2.gz UQTQMDRZBTVSOJ-FQEVSTJZSA-N 1 1 468.646 3.116 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303341190 1067870232 /nfs/dbraw/zinc/87/02/32/1067870232.db2.gz UQTQMDRZBTVSOJ-HXUWFJFHSA-N 1 1 468.646 3.116 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCCc1ccccc1 ZINC001303342381 1067870524 /nfs/dbraw/zinc/87/05/24/1067870524.db2.gz QOOMPOCXGRKNKX-LADGPHEKSA-N 1 1 492.672 3.302 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001303352970 1067879827 /nfs/dbraw/zinc/87/98/27/1067879827.db2.gz MLXRHXBPQMRONO-OALUTQOASA-N 1 1 456.660 3.195 20 0 JGADMO Cc1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001304787943 1067881428 /nfs/dbraw/zinc/88/14/28/1067881428.db2.gz SLXBQFXNJIUZJE-HXUWFJFHSA-N 1 1 474.654 3.071 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001303354482 1067881701 /nfs/dbraw/zinc/88/17/01/1067881701.db2.gz MIDJLCVDLHHTCX-ZGXWSNOMSA-N 1 1 460.667 3.319 20 0 JGADMO Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001304789013 1067881817 /nfs/dbraw/zinc/88/18/17/1067881817.db2.gz SEIVUUXOCYNZNF-UTKZUKDTSA-N 1 1 460.648 3.228 20 0 JGADMO Cc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001304789011 1067881857 /nfs/dbraw/zinc/88/18/57/1067881857.db2.gz SEIVUUXOCYNZNF-LAUBAEHRSA-N 1 1 460.648 3.228 20 0 JGADMO Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304792898 1067882982 /nfs/dbraw/zinc/88/29/82/1067882982.db2.gz WCJVIHCSYWMTMS-UHFFFAOYSA-N 1 1 455.470 3.321 20 0 JGADMO CC(C)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303356132 1067884120 /nfs/dbraw/zinc/88/41/20/1067884120.db2.gz ZQBWPDTUMQMOAI-AWEZNQCLSA-N 1 1 461.408 3.182 20 0 JGADMO Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001304810066 1067887265 /nfs/dbraw/zinc/88/72/65/1067887265.db2.gz PMSZUOFMAZBLKE-GQIGUUNPSA-N 1 1 453.509 3.012 20 0 JGADMO Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001304810066 1067887276 /nfs/dbraw/zinc/88/72/76/1067887276.db2.gz PMSZUOFMAZBLKE-GQIGUUNPSA-N 1 1 453.509 3.012 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303361890 1067889621 /nfs/dbraw/zinc/88/96/21/1067889621.db2.gz GTICLJOVPOCVFG-UNMCSNQZSA-N 1 1 460.667 3.324 20 0 JGADMO Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001304815611 1067890396 /nfs/dbraw/zinc/89/03/96/1067890396.db2.gz FHCWIFDVVVYPKV-NTKDMRAZSA-N 1 1 498.672 3.331 20 0 JGADMO Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001304815610 1067890438 /nfs/dbraw/zinc/89/04/38/1067890438.db2.gz FHCWIFDVVVYPKV-DVECYGJZSA-N 1 1 498.672 3.331 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001303363043 1067890413 /nfs/dbraw/zinc/89/04/13/1067890413.db2.gz CKEVVPRYDJGOHT-IEBWSBKVSA-N 1 1 452.594 3.408 20 0 JGADMO Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001304822657 1067892602 /nfs/dbraw/zinc/89/26/02/1067892602.db2.gz NMBKGMBJJCFDLE-XQBPLPMBSA-N 1 1 478.682 3.461 20 0 JGADMO Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001304823673 1067893737 /nfs/dbraw/zinc/89/37/37/1067893737.db2.gz WFXOVKUBBUCARG-HDICACEKSA-N 1 1 496.578 3.491 20 0 JGADMO CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001303367982 1067897571 /nfs/dbraw/zinc/89/75/71/1067897571.db2.gz IRSMRYKLHSWAPS-YTFNCPKPSA-N 1 1 457.615 3.381 20 0 JGADMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001304839786 1067899513 /nfs/dbraw/zinc/89/95/13/1067899513.db2.gz POQDIMOOJQXNSM-UGKGYDQZSA-N 1 1 456.610 3.175 20 0 JGADMO Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001304847889 1067902568 /nfs/dbraw/zinc/90/25/68/1067902568.db2.gz RZCLTYUJCBQQGW-UHFFFAOYSA-N 1 1 464.618 3.065 20 0 JGADMO Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001304852863 1067905125 /nfs/dbraw/zinc/90/51/25/1067905125.db2.gz GAWKBOOYCRGRTC-UHFFFAOYSA-N 1 1 489.640 3.289 20 0 JGADMO Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001304859199 1067909235 /nfs/dbraw/zinc/90/92/35/1067909235.db2.gz DJKHYHSMCNYGDS-UHFFFAOYSA-N 1 1 497.688 3.240 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303379744 1067909417 /nfs/dbraw/zinc/90/94/17/1067909417.db2.gz PYUTZJCCTTXPBI-HXUWFJFHSA-N 1 1 460.573 3.378 20 0 JGADMO Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001304860031 1067909589 /nfs/dbraw/zinc/90/95/89/1067909589.db2.gz KAZYLQNTHPFSMM-OFNKIYASSA-N 1 1 484.645 3.433 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303382309 1067911410 /nfs/dbraw/zinc/91/14/10/1067911410.db2.gz TZIXQDFAIGIAIC-QYZOEREBSA-N 1 1 491.681 3.029 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001304866337 1067911854 /nfs/dbraw/zinc/91/18/54/1067911854.db2.gz LMIMZLYFWXRYSM-SFTDATJTSA-N 1 1 478.435 3.164 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304867523 1067912214 /nfs/dbraw/zinc/91/22/14/1067912214.db2.gz QZSCLIZHHYBQRF-SFTDATJTSA-N 1 1 494.562 3.126 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304869746 1067913017 /nfs/dbraw/zinc/91/30/17/1067913017.db2.gz YWSOQKKKAUQAGN-SFTDATJTSA-N 1 1 465.545 3.123 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304872964 1067915337 /nfs/dbraw/zinc/91/53/37/1067915337.db2.gz ARDVUNJFYVICLN-KRWDZBQOSA-N 1 1 455.607 3.239 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304872964 1067915343 /nfs/dbraw/zinc/91/53/43/1067915343.db2.gz ARDVUNJFYVICLN-KRWDZBQOSA-N 1 1 455.607 3.239 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303387653 1067915629 /nfs/dbraw/zinc/91/56/29/1067915629.db2.gz ZXCQWMIWEIBGAN-KRWDZBQOSA-N 1 1 470.515 3.466 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2C(C)C)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001303387790 1067916125 /nfs/dbraw/zinc/91/61/25/1067916125.db2.gz DITJSRJANKRPAG-PKTZIBPZSA-N 1 1 468.646 3.046 20 0 JGADMO C[NH+](C)[C@@H](C(=O)N[C@H](CO)c1ccccc1I)c1ccc(Cl)cc1 ZINC001304874394 1067917279 /nfs/dbraw/zinc/91/72/79/1067917279.db2.gz CDDFMYKLWSCEIJ-IAGOWNOFSA-N 1 1 458.727 3.397 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CCCCn3cc[nH+]c3C)CC2)n1 ZINC001304875569 1067919530 /nfs/dbraw/zinc/91/95/30/1067919530.db2.gz ODOTVUJFNKVXNU-SFHVURJKSA-N 1 1 469.638 3.427 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303390641 1067920271 /nfs/dbraw/zinc/92/02/71/1067920271.db2.gz XNVBQHOSJLAQEV-IBGZPJMESA-N 1 1 482.551 3.096 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303391077 1067920603 /nfs/dbraw/zinc/92/06/03/1067920603.db2.gz BMTDQURCDSTQJW-QUCCMNQESA-N 1 1 460.648 3.320 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCCCC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001303393750 1067922366 /nfs/dbraw/zinc/92/23/66/1067922366.db2.gz PENRURJHBMSBKD-FQEVSTJZSA-N 1 1 454.619 3.066 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCCCC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001303393750 1067922373 /nfs/dbraw/zinc/92/23/73/1067922373.db2.gz PENRURJHBMSBKD-FQEVSTJZSA-N 1 1 454.619 3.066 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001303396595 1067924065 /nfs/dbraw/zinc/92/40/65/1067924065.db2.gz MELGZYSGHQVWPP-UHFFFAOYSA-N 1 1 484.693 3.447 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001303396919 1067925222 /nfs/dbraw/zinc/92/52/22/1067925222.db2.gz XVQXPHKNSVARSL-GOSISDBHSA-N 1 1 463.026 3.458 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001303396920 1067925279 /nfs/dbraw/zinc/92/52/79/1067925279.db2.gz XVQXPHKNSVARSL-SFHVURJKSA-N 1 1 463.026 3.458 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC001304887898 1067931886 /nfs/dbraw/zinc/93/18/86/1067931886.db2.gz FKWXLYXNEPHCDJ-LJQANCHMSA-N 1 1 486.665 3.320 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001304889936 1067934055 /nfs/dbraw/zinc/93/40/55/1067934055.db2.gz PATKEDCTMOROCA-IBGZPJMESA-N 1 1 459.639 3.227 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCOc1ncccc1Cl ZINC001303408342 1067935306 /nfs/dbraw/zinc/93/53/06/1067935306.db2.gz UKCCTOXTXNECQR-LJQANCHMSA-N 1 1 498.031 3.254 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001303408370 1067935418 /nfs/dbraw/zinc/93/54/18/1067935418.db2.gz VBTLXCKCZYILFK-NRFANRHFSA-N 1 1 467.662 3.001 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1Cc1ccc(F)cc1F ZINC001303408491 1067935647 /nfs/dbraw/zinc/93/56/47/1067935647.db2.gz ZKVLTEZMQMRJGA-UHFFFAOYSA-N 1 1 460.554 3.127 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303413302 1067939165 /nfs/dbraw/zinc/93/91/65/1067939165.db2.gz BUQODHPHZQPCPK-PZJWPPBQSA-N 1 1 488.539 3.168 20 0 JGADMO Cc1noc(CCCn2c(-c3cc(Br)cn3C)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001304895043 1067939387 /nfs/dbraw/zinc/93/93/87/1067939387.db2.gz XOIIQGVWWGMDJN-UHFFFAOYSA-N 1 1 491.438 3.291 20 0 JGADMO Cc1noc(CCCn2c(-c3ccccc3C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001304894747 1067939401 /nfs/dbraw/zinc/93/94/01/1067939401.db2.gz RQVWDGMUWRREIL-UHFFFAOYSA-N 1 1 453.591 3.125 20 0 JGADMO Cc1noc(CCCn2c(-c3ccccc3C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001304894747 1067939407 /nfs/dbraw/zinc/93/94/07/1067939407.db2.gz RQVWDGMUWRREIL-UHFFFAOYSA-N 1 1 453.591 3.125 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303413857 1067939807 /nfs/dbraw/zinc/93/98/07/1067939807.db2.gz FILJEAZRLQOPJX-RLWLMLJZSA-N 1 1 468.646 3.433 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303416332 1067944050 /nfs/dbraw/zinc/94/40/50/1067944050.db2.gz MYOZRILPVAPYHY-UHFFFAOYSA-N 1 1 454.619 3.088 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001303426565 1067951645 /nfs/dbraw/zinc/95/16/45/1067951645.db2.gz VBLDPNIYEIUQQS-IRLDBZIGSA-N 1 1 476.629 3.139 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001304909312 1067952619 /nfs/dbraw/zinc/95/26/19/1067952619.db2.gz DCMQWMXYBZVGHW-RZUBCFFCSA-N 1 1 474.694 3.281 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304910660 1067953777 /nfs/dbraw/zinc/95/37/77/1067953777.db2.gz JEHIWURIWAITAS-PLACYPQZSA-N 1 1 480.723 3.437 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC001304912914 1067956839 /nfs/dbraw/zinc/95/68/39/1067956839.db2.gz RIFXWGUNFWBIRM-JSXRDJHFSA-N 1 1 490.718 3.278 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304913200 1067957508 /nfs/dbraw/zinc/95/75/08/1067957508.db2.gz VGJAKGXLBILXIQ-XQBPLPMBSA-N 1 1 468.646 3.274 20 0 JGADMO C[C@@H]1C[C@H](C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001304918499 1067960878 /nfs/dbraw/zinc/96/08/78/1067960878.db2.gz HFPOHRFDTLWLHT-LRAJWGHMSA-N 1 1 466.399 3.396 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2Cl)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303436880 1067961014 /nfs/dbraw/zinc/96/10/14/1067961014.db2.gz PRCBMFTZWNQJME-GOSISDBHSA-N 1 1 463.026 3.060 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)CC2CCOCC2)C1 ZINC001304923984 1067966342 /nfs/dbraw/zinc/96/63/42/1067966342.db2.gz IBPMCBSWSFLOHZ-OYRHEFFESA-N 1 1 460.667 3.135 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303444269 1067966476 /nfs/dbraw/zinc/96/64/76/1067966476.db2.gz RYLZIBQWKYMGDN-YMPZKCBVSA-N 1 1 468.646 3.391 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001304924560 1067967404 /nfs/dbraw/zinc/96/74/04/1067967404.db2.gz JNECTWDYKHIOJR-OTWHNJEPSA-N 1 1 480.583 3.176 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccccn3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001304925890 1067969514 /nfs/dbraw/zinc/96/95/14/1067969514.db2.gz NVARRBGZVCFDDI-OYRHEFFESA-N 1 1 475.632 3.409 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925897 1067969529 /nfs/dbraw/zinc/96/95/29/1067969529.db2.gz MZXHKWAGHQMCBD-BGYRXZFFSA-N 1 1 478.682 3.010 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304926377 1067970020 /nfs/dbraw/zinc/97/00/20/1067970020.db2.gz RKEJYWMOXICEAK-BBWFWOEESA-N 1 1 492.466 3.105 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2C2CCC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926604 1067970672 /nfs/dbraw/zinc/97/06/72/1067970672.db2.gz SPADVOTZNMYZSG-JTJHWIPRSA-N 1 1 466.696 3.025 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001304926528 1067970710 /nfs/dbraw/zinc/97/07/10/1067970710.db2.gz RUOUUJOJRWTJLW-ZMMAXQRCSA-N 1 1 469.556 3.203 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304926531 1067970774 /nfs/dbraw/zinc/97/07/74/1067970774.db2.gz POYJFYQVRXRNOY-VWPQPMDRSA-N 1 1 460.667 3.381 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926928 1067971810 /nfs/dbraw/zinc/97/18/10/1067971810.db2.gz UUDLXFIGCQVWBY-GVAUOCQISA-N 1 1 489.753 3.001 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926928 1067971813 /nfs/dbraw/zinc/97/18/13/1067971813.db2.gz UUDLXFIGCQVWBY-GVAUOCQISA-N 1 1 489.753 3.001 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926930 1067971890 /nfs/dbraw/zinc/97/18/90/1067971890.db2.gz UUDLXFIGCQVWBY-SDHSZQHLSA-N 1 1 489.753 3.001 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001304927285 1067973019 /nfs/dbraw/zinc/97/30/19/1067973019.db2.gz TZPCFLJMJFZDDC-ZCNNSNEGSA-N 1 1 458.676 3.355 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001304927485 1067973347 /nfs/dbraw/zinc/97/33/47/1067973347.db2.gz JXQSHRYNKAZNJV-WTEVXDJOSA-N 1 1 463.667 3.302 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCNC(=O)CC2)C1 ZINC001304927332 1067973379 /nfs/dbraw/zinc/97/33/79/1067973379.db2.gz ULQGYOFPCCDFDW-KDURUIRLSA-N 1 1 474.600 3.232 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCOC3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001304927309 1067973462 /nfs/dbraw/zinc/97/34/62/1067973462.db2.gz UENNRTMFFJBAFL-VWPQPMDRSA-N 1 1 460.667 3.022 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928142 1067975337 /nfs/dbraw/zinc/97/53/37/1067975337.db2.gz SVJMDJWUODVLQE-MBDNFAEBSA-N 1 1 460.667 3.322 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001304928888 1067976971 /nfs/dbraw/zinc/97/69/71/1067976971.db2.gz RGSBFRCBSQREMJ-BDTNDASRSA-N 1 1 496.766 3.343 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001304928889 1067977041 /nfs/dbraw/zinc/97/70/41/1067977041.db2.gz RGSBFRCBSQREMJ-BHIFYINESA-N 1 1 496.766 3.343 20 0 JGADMO CC(C)NC(=O)Nc1ccc(Cn2c(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)nnc2C(C)(C)C)cc1 ZINC001303459616 1067978903 /nfs/dbraw/zinc/97/89/03/1067978903.db2.gz HXTSDBOFJGYLNV-UGKGYDQZSA-N 1 1 483.661 3.311 20 0 JGADMO CC(C)NC(=O)Nc1ccc(Cn2c(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001303459615 1067978986 /nfs/dbraw/zinc/97/89/86/1067978986.db2.gz HXTSDBOFJGYLNV-SIKLNZKXSA-N 1 1 483.661 3.311 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001304932555 1067981667 /nfs/dbraw/zinc/98/16/67/1067981667.db2.gz KIYWCQJWHBVJHG-FJIDUMEYSA-N 1 1 495.466 3.396 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001304932555 1067981670 /nfs/dbraw/zinc/98/16/70/1067981670.db2.gz KIYWCQJWHBVJHG-FJIDUMEYSA-N 1 1 495.466 3.396 20 0 JGADMO C[C@H]1C[C@@H](N(C)c2nnc(-c3ccccn3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304946731 1067998593 /nfs/dbraw/zinc/99/85/93/1067998593.db2.gz DEGZXSHIJGKGTM-UNMCSNQZSA-N 1 1 461.614 3.308 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001303480755 1068001127 /nfs/dbraw/zinc/00/11/27/1068001127.db2.gz IJVWNSYSVURJCY-DEOSSOPVSA-N 1 1 494.084 3.464 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(F)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303481533 1068002539 /nfs/dbraw/zinc/00/25/39/1068002539.db2.gz PPBQWAXUIFYHRB-OZXSUGGESA-N 1 1 489.636 3.451 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCC[N@@H+](C)C1CCCCC1 ZINC001304957300 1068003254 /nfs/dbraw/zinc/00/32/54/1068003254.db2.gz DKZKBSDJTMBKHI-GUDVDZBRSA-N 1 1 454.685 3.168 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001304958473 1068003856 /nfs/dbraw/zinc/00/38/56/1068003856.db2.gz ICIXPCAITQUDAZ-KXEAFHOWSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303481959 1068003789 /nfs/dbraw/zinc/00/37/89/1068003789.db2.gz UPOXRPTUWCOGQK-VWLOTQADSA-N 1 1 475.609 3.205 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303481959 1068003803 /nfs/dbraw/zinc/00/38/03/1068003803.db2.gz UPOXRPTUWCOGQK-VWLOTQADSA-N 1 1 475.609 3.205 20 0 JGADMO C[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001304969680 1068010183 /nfs/dbraw/zinc/01/01/83/1068010183.db2.gz ICQKDCSQBNCHLN-AQNXPRMDSA-N 1 1 451.681 3.460 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303489264 1068013352 /nfs/dbraw/zinc/01/33/52/1068013352.db2.gz JQRXTCJDKSRSCG-WRALFONMSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001304974624 1068014441 /nfs/dbraw/zinc/01/44/41/1068014441.db2.gz KIGQXEROHQBRAZ-JWFWCLOMSA-N 1 1 451.681 3.316 20 0 JGADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303493338 1068018741 /nfs/dbraw/zinc/01/87/41/1068018741.db2.gz RNZGGFLRBRVAPK-PGRDOPGGSA-N 1 1 455.986 3.050 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001304981183 1068021101 /nfs/dbraw/zinc/02/11/01/1068021101.db2.gz NOSUXBSHSNTSRS-FUHWJXTLSA-N 1 1 465.689 3.095 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001304981184 1068021194 /nfs/dbraw/zinc/02/11/94/1068021194.db2.gz NOSUXBSHSNTSRS-SJLPKXTDSA-N 1 1 465.689 3.095 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@@]4(CCSC4)C3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303497468 1068025156 /nfs/dbraw/zinc/02/51/56/1068025156.db2.gz VCCKCRAOJDOTIO-DHIUTWEWSA-N 1 1 451.681 3.382 20 0 JGADMO C[C@@H]1CCC[C@@H](N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001304984897 1068027994 /nfs/dbraw/zinc/02/79/94/1068027994.db2.gz AJAJBZQZCCPLEA-AQNXPRMDSA-N 1 1 474.675 3.131 20 0 JGADMO C[C@@H]1CCC[C@H](N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001304984898 1068028028 /nfs/dbraw/zinc/02/80/28/1068028028.db2.gz AJAJBZQZCCPLEA-HSALFYBXSA-N 1 1 474.675 3.131 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303502597 1068033094 /nfs/dbraw/zinc/03/30/94/1068033094.db2.gz OANXFCOCXWBTBY-GHTZIAJQSA-N 1 1 477.572 3.207 20 0 JGADMO C[C@@H]1CCC[C@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304993339 1068034883 /nfs/dbraw/zinc/03/48/83/1068034883.db2.gz AQBALFKKTATZJY-IBVKSMDESA-N 1 1 473.637 3.354 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304994125 1068036137 /nfs/dbraw/zinc/03/61/37/1068036137.db2.gz BRMZPRVNBNLNKR-VJBWXMMDSA-N 1 1 487.737 3.339 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(C4CCC4)CC3)n2CC[NH+](C(C)C)C(C)C)CCOC1 ZINC001303504493 1068037227 /nfs/dbraw/zinc/03/72/27/1068037227.db2.gz WBGQUJFVWXQYAC-RUZDIDTESA-N 1 1 462.683 3.112 20 0 JGADMO C[C@H]1CCC[C@@]1(O)Cn1c(CCc2ccccc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304995061 1068037525 /nfs/dbraw/zinc/03/75/25/1068037525.db2.gz LFLSETDGCUGFHZ-WXVAWEFUSA-N 1 1 469.674 3.409 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303507719 1068042018 /nfs/dbraw/zinc/04/20/18/1068042018.db2.gz XNPIGXQRDDCURU-IMIIHFCZSA-N 1 1 493.693 3.069 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001303511088 1068046493 /nfs/dbraw/zinc/04/64/93/1068046493.db2.gz RPAMVGCRPGUCBP-RSPLEMODSA-N 1 1 492.064 3.482 20 0 JGADMO CC(C)Oc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001303518798 1068052327 /nfs/dbraw/zinc/05/23/27/1068052327.db2.gz TUQJVHGYFSLEKM-UHFFFAOYSA-N 1 1 467.618 3.061 20 0 JGADMO CC(C)Oc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001303518798 1068052335 /nfs/dbraw/zinc/05/23/35/1068052335.db2.gz TUQJVHGYFSLEKM-UHFFFAOYSA-N 1 1 467.618 3.061 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305012923 1068053273 /nfs/dbraw/zinc/05/32/73/1068053273.db2.gz CVHGHOZLKBQLIR-CZSZKKDXSA-N 1 1 460.667 3.012 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001305015018 1068056915 /nfs/dbraw/zinc/05/69/15/1068056915.db2.gz BKPGDMJMBMUJPL-HXUWFJFHSA-N 1 1 488.080 3.073 20 0 JGADMO CC(C)OC1CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001303529763 1068057364 /nfs/dbraw/zinc/05/73/64/1068057364.db2.gz AETPMNRDTAFBKM-QFIPXVFZSA-N 1 1 488.702 3.267 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001305015335 1068057452 /nfs/dbraw/zinc/05/74/52/1068057452.db2.gz DKYLIOQDJNMREL-KZNAEPCWSA-N 1 1 456.557 3.413 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001305015347 1068057641 /nfs/dbraw/zinc/05/76/41/1068057641.db2.gz DNJPGZZSYRVUPK-DNRQZRRGSA-N 1 1 495.734 3.476 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC001305015804 1068058127 /nfs/dbraw/zinc/05/81/27/1068058127.db2.gz XDSJYBKXXBCRRU-MOPGFXCFSA-N 1 1 482.599 3.406 20 0 JGADMO CC(C)OC1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001303530221 1068058343 /nfs/dbraw/zinc/05/83/43/1068058343.db2.gz PNCUBEPOOJBMIK-NRFANRHFSA-N 1 1 460.667 3.449 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(CC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001305015934 1068059069 /nfs/dbraw/zinc/05/90/69/1068059069.db2.gz YQGWIFROODQQHY-FPOVZHCZSA-N 1 1 487.693 3.336 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)CC1 ZINC001305015908 1068059511 /nfs/dbraw/zinc/05/95/11/1068059511.db2.gz YCUQQOCQGDFSGK-HXUWFJFHSA-N 1 1 476.691 3.199 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F ZINC001305016572 1068059646 /nfs/dbraw/zinc/05/96/46/1068059646.db2.gz MSKOMQCKOXBPGE-ICSRJNTNSA-N 1 1 463.623 3.220 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F ZINC001305016573 1068059999 /nfs/dbraw/zinc/05/99/99/1068059999.db2.gz MSKOMQCKOXBPGE-QUCCMNQESA-N 1 1 463.623 3.220 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001305017187 1068060632 /nfs/dbraw/zinc/06/06/32/1068060632.db2.gz DFWHJDBVCSWZJQ-CJAUYULYSA-N 1 1 472.609 3.208 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001305017270 1068060804 /nfs/dbraw/zinc/06/08/04/1068060804.db2.gz CXMAKEIZJPNRSA-GOSISDBHSA-N 1 1 482.050 3.010 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305017342 1068061041 /nfs/dbraw/zinc/06/10/41/1068061041.db2.gz LASRBIXDMDLOOJ-HUUCEWRRSA-N 1 1 466.428 3.000 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC001303531958 1068061301 /nfs/dbraw/zinc/06/13/01/1068061301.db2.gz UVPIBOZXKZWJCP-DNQXCXABSA-N 1 1 485.673 3.497 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001305017350 1068061314 /nfs/dbraw/zinc/06/13/14/1068061314.db2.gz LEBVCUMBAOKPCI-PMACEKPBSA-N 1 1 493.649 3.274 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@H+]2CCCC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001305018189 1068062489 /nfs/dbraw/zinc/06/24/89/1068062489.db2.gz SYNHWGJSKCMZBL-PMACEKPBSA-N 1 1 484.649 3.445 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305018296 1068062743 /nfs/dbraw/zinc/06/27/43/1068062743.db2.gz NEBSYZSEJJIDDD-YADHBBJMSA-N 1 1 452.647 3.385 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001305018655 1068063470 /nfs/dbraw/zinc/06/34/70/1068063470.db2.gz UJIRUFMHQMQFBA-RBBKRZOGSA-N 1 1 499.660 3.335 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305018549 1068063826 /nfs/dbraw/zinc/06/38/26/1068063826.db2.gz HVDNYBCICCYCSN-OALUTQOASA-N 1 1 475.037 3.477 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2cnn(CC3CCC3)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305019884 1068067167 /nfs/dbraw/zinc/06/71/67/1068067167.db2.gz NZDMLEQPEOBRSB-QZTJIDSGSA-N 1 1 492.694 3.139 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305020097 1068067450 /nfs/dbraw/zinc/06/74/50/1068067450.db2.gz SUAPXSSBEGTQDV-CLOONOSVSA-N 1 1 456.610 3.364 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305020348 1068067848 /nfs/dbraw/zinc/06/78/48/1068067848.db2.gz BYCYXMBGUNPPAX-UXHICEINSA-N 1 1 478.645 3.341 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305020456 1068068500 /nfs/dbraw/zinc/06/85/00/1068068500.db2.gz QSUQGOCXTUHPMH-WOJBJXKFSA-N 1 1 481.707 3.085 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305020577 1068068728 /nfs/dbraw/zinc/06/87/28/1068068728.db2.gz CHCOOZQHEHWQPY-PKOBYXMFSA-N 1 1 493.578 3.355 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001303539409 1068069136 /nfs/dbraw/zinc/06/91/36/1068069136.db2.gz SUZQYCXFLJLNKX-VQTJNVASSA-N 1 1 461.582 3.111 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001305020899 1068069489 /nfs/dbraw/zinc/06/94/89/1068069489.db2.gz SKROYAPUMFDWDO-MSOLQXFVSA-N 1 1 474.600 3.325 20 0 JGADMO CC(C)OCCCCn1c(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001303544869 1068072806 /nfs/dbraw/zinc/07/28/06/1068072806.db2.gz OVFFLHSZTQYJNJ-JOCHJYFZSA-N 1 1 464.699 3.012 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305022468 1068073602 /nfs/dbraw/zinc/07/36/02/1068073602.db2.gz LDTNRCPHOXEYIQ-XZOQPEGZSA-N 1 1 487.737 3.435 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001305022563 1068073894 /nfs/dbraw/zinc/07/38/94/1068073894.db2.gz MALXTXWLOJNVJR-INIZCTEOSA-N 1 1 484.041 3.483 20 0 JGADMO CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303547263 1068074092 /nfs/dbraw/zinc/07/40/92/1068074092.db2.gz RUBWAKHFFJQFEO-QGZVFWFLSA-N 1 1 482.398 3.183 20 0 JGADMO CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303547263 1068074103 /nfs/dbraw/zinc/07/41/03/1068074103.db2.gz RUBWAKHFFJQFEO-QGZVFWFLSA-N 1 1 482.398 3.183 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023222 1068075079 /nfs/dbraw/zinc/07/50/79/1068075079.db2.gz BATUDDPAXTZHTA-MXEMCNAFSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023268 1068075931 /nfs/dbraw/zinc/07/59/31/1068075931.db2.gz QTDNTPVFCPWDRR-LJQANCHMSA-N 1 1 488.706 3.100 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC=CCC2)C1 ZINC001305024563 1068078928 /nfs/dbraw/zinc/07/89/28/1068078928.db2.gz ZRNRCHGZOFHJRG-FQEVSTJZSA-N 1 1 486.686 3.472 20 0 JGADMO CC(C)OCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303554326 1068078861 /nfs/dbraw/zinc/07/88/61/1068078861.db2.gz DKKOBKNCVKDRAY-OAQYLSRUSA-N 1 1 477.613 3.451 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025442 1068080596 /nfs/dbraw/zinc/08/05/96/1068080596.db2.gz RCRJDSXNZBKBEH-ZWKOTPCHSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025510 1068080848 /nfs/dbraw/zinc/08/08/48/1068080848.db2.gz RURBNVWIPGUELC-HSALFYBXSA-N 1 1 484.670 3.483 20 0 JGADMO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025767 1068081484 /nfs/dbraw/zinc/08/14/84/1068081484.db2.gz UOKKBLHZJJXAMO-DLBZAZTESA-N 1 1 452.525 3.354 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025970 1068081657 /nfs/dbraw/zinc/08/16/57/1068081657.db2.gz VFKYGFWFVAPHRA-AKFKNWHVSA-N 1 1 454.663 3.378 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025970 1068081670 /nfs/dbraw/zinc/08/16/70/1068081670.db2.gz VFKYGFWFVAPHRA-AKFKNWHVSA-N 1 1 454.663 3.378 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027183 1068083836 /nfs/dbraw/zinc/08/38/36/1068083836.db2.gz TVOBGPVKMZFQOR-ZHALLVOQSA-N 1 1 481.613 3.215 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC001305028322 1068084549 /nfs/dbraw/zinc/08/45/49/1068084549.db2.gz YNYVRCGVPPVAHI-GGPKGHCWSA-N 1 1 458.582 3.004 20 0 JGADMO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305028404 1068084917 /nfs/dbraw/zinc/08/49/17/1068084917.db2.gz FZFQJRNGGSMFNL-LEWJYISDSA-N 1 1 452.647 3.276 20 0 JGADMO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028361 1068085212 /nfs/dbraw/zinc/08/52/12/1068085212.db2.gz YRNLYBUKKCKLIN-WSTZPKSXSA-N 1 1 459.038 3.344 20 0 JGADMO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028562 1068085424 /nfs/dbraw/zinc/08/54/24/1068085424.db2.gz ZVPUPSZRYIFELY-DYXWJJEUSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001305028721 1068086489 /nfs/dbraw/zinc/08/64/89/1068086489.db2.gz JCJKKEAEEFGXOT-SFTDATJTSA-N 1 1 486.686 3.272 20 0 JGADMO C[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305028720 1068086749 /nfs/dbraw/zinc/08/67/49/1068086749.db2.gz JCJKKEAEEFGXOT-RTWAWAEBSA-N 1 1 486.686 3.272 20 0 JGADMO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(F)cc(F)c1)[N@H+]1CCC[C@H](C)C1 ZINC001305028983 1068087211 /nfs/dbraw/zinc/08/72/11/1068087211.db2.gz MSVHMZJAJBVZCC-ZWKOTPCHSA-N 1 1 460.573 3.436 20 0 JGADMO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(F)cc(F)c1)[N@H+]1CCC[C@H](C)C1 ZINC001305028982 1068087424 /nfs/dbraw/zinc/08/74/24/1068087424.db2.gz MSVHMZJAJBVZCC-ROUUACIJSA-N 1 1 460.573 3.436 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305030303 1068088211 /nfs/dbraw/zinc/08/82/11/1068088211.db2.gz VNZQFCKAQJYQSR-ILSIFQBBSA-N 1 1 463.667 3.300 20 0 JGADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001305036461 1068092307 /nfs/dbraw/zinc/09/23/07/1068092307.db2.gz WAWXHHNCSIHROV-AABGKKOBSA-N 1 1 462.664 3.035 20 0 JGADMO C[C@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001305037158 1068093177 /nfs/dbraw/zinc/09/31/77/1068093177.db2.gz AWJJGCDANICGOI-SFTDATJTSA-N 1 1 474.650 3.475 20 0 JGADMO C[C@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001305037155 1068093213 /nfs/dbraw/zinc/09/32/13/1068093213.db2.gz AWJJGCDANICGOI-LEWJYISDSA-N 1 1 474.650 3.475 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCOC2)CC1 ZINC001303570238 1068093626 /nfs/dbraw/zinc/09/36/26/1068093626.db2.gz CLWJGFIPFXDFTF-LJQANCHMSA-N 1 1 463.573 3.121 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CC3CCCC3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001303570736 1068095117 /nfs/dbraw/zinc/09/51/17/1068095117.db2.gz DNHSQZDFRHTVQK-UHFFFAOYSA-N 1 1 472.609 3.336 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSC(F)(F)F)CC1 ZINC001303571150 1068095432 /nfs/dbraw/zinc/09/54/32/1068095432.db2.gz HWFSWNYSUIIZRU-UHFFFAOYSA-N 1 1 497.591 3.317 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001305041057 1068095612 /nfs/dbraw/zinc/09/56/12/1068095612.db2.gz AYBCIWHKTTTXAI-WOJBJXKFSA-N 1 1 472.609 3.175 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CCCC3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001303571653 1068096008 /nfs/dbraw/zinc/09/60/08/1068096008.db2.gz MYDKBNYHZHHBQE-UHFFFAOYSA-N 1 1 460.667 3.275 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001305041160 1068096070 /nfs/dbraw/zinc/09/60/70/1068096070.db2.gz BQWNKTJETUHRSI-QFIPXVFZSA-N 1 1 481.689 3.471 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOc2ccccc2Cl)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305041658 1068096260 /nfs/dbraw/zinc/09/62/60/1068096260.db2.gz GBVRQUVDZAEVKD-SFHVURJKSA-N 1 1 463.026 3.317 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2F)CC1 ZINC001303571242 1068096602 /nfs/dbraw/zinc/09/66/02/1068096602.db2.gz JWNBAFNTIHDVOZ-UHFFFAOYSA-N 1 1 486.617 3.004 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001303572195 1068096698 /nfs/dbraw/zinc/09/66/98/1068096698.db2.gz YOXYRKXKKVLYSU-VQTJNVASSA-N 1 1 474.675 3.253 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305042000 1068096948 /nfs/dbraw/zinc/09/69/48/1068096948.db2.gz GYPBCLAITMKLTE-ITTUMRLJSA-N 1 1 462.683 3.409 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042022 1068097216 /nfs/dbraw/zinc/09/72/16/1068097216.db2.gz HEEKFOFFRRNASK-URVUXULASA-N 1 1 454.619 3.115 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001303572216 1068097760 /nfs/dbraw/zinc/09/77/60/1068097760.db2.gz YXVGMSJDEQVVLL-PKTZIBPZSA-N 1 1 456.635 3.164 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCc2csc(C(C)C)n2)CC1 ZINC001303572389 1068098131 /nfs/dbraw/zinc/09/81/31/1068098131.db2.gz GEJOTKVHKQDICZ-HXUWFJFHSA-N 1 1 462.664 3.499 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001305042749 1068098207 /nfs/dbraw/zinc/09/82/07/1068098207.db2.gz KTSHMHHLUCECJI-MOPGFXCFSA-N 1 1 457.648 3.379 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](COc3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042857 1068098761 /nfs/dbraw/zinc/09/87/61/1068098761.db2.gz LQWNSVIMRPKYAX-RTWAWAEBSA-N 1 1 454.619 3.054 20 0 JGADMO CC(C)SCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303574819 1068100034 /nfs/dbraw/zinc/10/00/34/1068100034.db2.gz QVQRFOYFZUTJTA-FQEVSTJZSA-N 1 1 477.078 3.483 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305043695 1068100239 /nfs/dbraw/zinc/10/02/39/1068100239.db2.gz SKTOQCXUOLWKHA-MOPGFXCFSA-N 1 1 472.638 3.039 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044261 1068100737 /nfs/dbraw/zinc/10/07/37/1068100737.db2.gz YRKSHPUXYGAPEL-SQQYVQODSA-N 1 1 474.675 3.083 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305045107 1068102435 /nfs/dbraw/zinc/10/24/35/1068102435.db2.gz CKNLKHNRTOEHJI-IFMALSPDSA-N 1 1 483.661 3.489 20 0 JGADMO CC(C)SCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001303578907 1068103287 /nfs/dbraw/zinc/10/32/87/1068103287.db2.gz NGDJUYLRULHNFQ-FCHUYYIVSA-N 1 1 491.727 3.280 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001305046303 1068104055 /nfs/dbraw/zinc/10/40/55/1068104055.db2.gz ICICEHBKNUWNHP-IFMALSPDSA-N 1 1 489.686 3.476 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001305046261 1068104072 /nfs/dbraw/zinc/10/40/72/1068104072.db2.gz HKFGBURJECPGFF-IRXDYDNUSA-N 1 1 492.466 3.215 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305046814 1068104635 /nfs/dbraw/zinc/10/46/35/1068104635.db2.gz JSKWGXMGVGZIGP-ZLNRFVROSA-N 1 1 474.694 3.283 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305047095 1068105249 /nfs/dbraw/zinc/10/52/49/1068105249.db2.gz LLYJPHLNSOBVRV-ZWKOTPCHSA-N 1 1 468.067 3.124 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccsc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305047111 1068105929 /nfs/dbraw/zinc/10/59/29/1068105929.db2.gz LPNRQQLVIPQLHR-UYAOXDASSA-N 1 1 465.689 3.066 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001305047963 1068106712 /nfs/dbraw/zinc/10/67/12/1068106712.db2.gz HGOCGNJPZOHJIE-APWZRJJASA-N 1 1 471.499 3.496 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001305047964 1068106736 /nfs/dbraw/zinc/10/67/36/1068106736.db2.gz HGOCGNJPZOHJIE-LPHOPBHVSA-N 1 1 471.499 3.496 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001305048418 1068107164 /nfs/dbraw/zinc/10/71/64/1068107164.db2.gz MNMGLXHPRHNUFV-ROUUACIJSA-N 1 1 491.624 3.471 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)C[C@H](C)C2)C1 ZINC001305048254 1068107281 /nfs/dbraw/zinc/10/72/81/1068107281.db2.gz MDXDCEUTUXRXBG-IVAOSVALSA-N 1 1 451.681 3.175 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001305049021 1068107883 /nfs/dbraw/zinc/10/78/83/1068107883.db2.gz NFEJSDLAWIXASU-RTBURBONSA-N 1 1 480.583 3.320 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305049150 1068108505 /nfs/dbraw/zinc/10/85/05/1068108505.db2.gz OQWOEJADJIZFRN-XQBPLPMBSA-N 1 1 470.618 3.003 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(CCCO)CC2)C1 ZINC001305049432 1068108631 /nfs/dbraw/zinc/10/86/31/1068108631.db2.gz IFDWBBUHDRCCAP-HXUWFJFHSA-N 1 1 489.686 3.069 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305049471 1068109060 /nfs/dbraw/zinc/10/90/60/1068109060.db2.gz IPSBLRQPCBPFIV-CVEARBPZSA-N 1 1 493.425 3.280 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305049624 1068109944 /nfs/dbraw/zinc/10/99/44/1068109944.db2.gz PUJGYBHPDOVSKF-OALUTQOASA-N 1 1 454.685 3.027 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccn3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001305049476 1068110000 /nfs/dbraw/zinc/11/00/00/1068110000.db2.gz IQYLAUSMWUNRSU-WOJBJXKFSA-N 1 1 471.650 3.461 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001305049766 1068110504 /nfs/dbraw/zinc/11/05/04/1068110504.db2.gz TUCNEOKCBRJDQW-FUHWJXTLSA-N 1 1 457.541 3.252 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305050098 1068111289 /nfs/dbraw/zinc/11/12/89/1068111289.db2.gz RNZJTQDDGCSRCX-IAGOWNOFSA-N 1 1 492.466 3.250 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001305050321 1068111943 /nfs/dbraw/zinc/11/19/43/1068111943.db2.gz WKNKPKVAITYDQZ-PCCBWWKXSA-N 1 1 476.666 3.350 20 0 JGADMO C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303591616 1068112257 /nfs/dbraw/zinc/11/22/57/1068112257.db2.gz NPSWAGRCRNMOLM-AUSIDOKSSA-N 1 1 452.578 3.447 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(C3CC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305050530 1068112815 /nfs/dbraw/zinc/11/28/15/1068112815.db2.gz SWILOKISEMYCMG-AEFFLSMTSA-N 1 1 456.557 3.172 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305051273 1068114151 /nfs/dbraw/zinc/11/41/51/1068114151.db2.gz YLESJHIPCZYXFE-NVJIOZQYSA-N 1 1 451.681 3.381 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001305052153 1068116134 /nfs/dbraw/zinc/11/61/34/1068116134.db2.gz ZCEDJORLGVRGKS-FCHUYYIVSA-N 1 1 474.694 3.379 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccn3C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001305052258 1068116252 /nfs/dbraw/zinc/11/62/52/1068116252.db2.gz SDQKJNQYMLUNPK-VQTJNVASSA-N 1 1 471.650 3.461 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001305057690 1068119830 /nfs/dbraw/zinc/11/98/30/1068119830.db2.gz BHJHTFIBUIILQC-YJBOKZPZSA-N 1 1 450.509 3.369 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncnn1CC(F)F ZINC001305058083 1068120262 /nfs/dbraw/zinc/12/02/62/1068120262.db2.gz DRYDHNYESZIJTB-HNNXBMFYSA-N 1 1 480.514 3.124 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001305058701 1068121481 /nfs/dbraw/zinc/12/14/81/1068121481.db2.gz JGTSGYIYPSUORM-VGOFRKELSA-N 1 1 466.552 3.278 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cscn1 ZINC001305058829 1068121549 /nfs/dbraw/zinc/12/15/49/1068121549.db2.gz JNLRXZNGFNWKNI-MJGOQNOKSA-N 1 1 491.662 3.164 20 0 JGADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001305058898 1068122474 /nfs/dbraw/zinc/12/24/74/1068122474.db2.gz KYKHNYVAFYLTLM-IKGGRYGDSA-N 1 1 467.586 3.140 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001305058900 1068122511 /nfs/dbraw/zinc/12/25/11/1068122511.db2.gz KYKHNYVAFYLTLM-ZACQAIPSSA-N 1 1 467.586 3.140 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC1CCOCC1 ZINC001305059632 1068123914 /nfs/dbraw/zinc/12/39/14/1068123914.db2.gz MWJHMFOMSLUVNK-LJQANCHMSA-N 1 1 475.659 3.086 20 0 JGADMO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001303598678 1068124852 /nfs/dbraw/zinc/12/48/52/1068124852.db2.gz CJVBLJPLFCGQCM-IPMKNSEASA-N 1 1 451.409 3.112 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001305060444 1068125281 /nfs/dbraw/zinc/12/52/81/1068125281.db2.gz BVFGDCJKQZEXRJ-JKSUJKDBSA-N 1 1 452.575 3.235 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305060312 1068125308 /nfs/dbraw/zinc/12/53/08/1068125308.db2.gz VSYWVJINMTUKIH-OALUTQOASA-N 1 1 462.639 3.102 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001305060783 1068125829 /nfs/dbraw/zinc/12/58/29/1068125829.db2.gz CYWUAHBJEONESW-BBWFWOEESA-N 1 1 466.602 3.481 20 0 JGADMO C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCC[C@H]1C ZINC001305061185 1068126402 /nfs/dbraw/zinc/12/64/02/1068126402.db2.gz TXSVPBAAOKPLEI-MOPGFXCFSA-N 1 1 486.642 3.470 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305061451 1068127094 /nfs/dbraw/zinc/12/70/94/1068127094.db2.gz HAMJQZVJCFGHRM-HSALFYBXSA-N 1 1 462.639 3.307 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCOC1 ZINC001305061839 1068128313 /nfs/dbraw/zinc/12/83/13/1068128313.db2.gz ITSURMGSLLWWMK-WTGUMLROSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CC=CCC1 ZINC001303600388 1068128501 /nfs/dbraw/zinc/12/85/01/1068128501.db2.gz HNGTZHSHUUOWNG-GOSISDBHSA-N 1 1 486.667 3.037 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001305062590 1068130002 /nfs/dbraw/zinc/13/00/02/1068130002.db2.gz ZQBXHEGLNDCUJX-SFHVURJKSA-N 1 1 464.618 3.170 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303603739 1068135774 /nfs/dbraw/zinc/13/57/74/1068135774.db2.gz TVSKAOZGCBFHIT-NVXHTHCOSA-N 1 1 496.681 3.310 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303603739 1068135780 /nfs/dbraw/zinc/13/57/80/1068135780.db2.gz TVSKAOZGCBFHIT-NVXHTHCOSA-N 1 1 496.681 3.310 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303603884 1068136416 /nfs/dbraw/zinc/13/64/16/1068136416.db2.gz UNXAWNGHTZIYRW-UPTQXZAWSA-N 1 1 458.676 3.116 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303603884 1068136422 /nfs/dbraw/zinc/13/64/22/1068136422.db2.gz UNXAWNGHTZIYRW-UPTQXZAWSA-N 1 1 458.676 3.116 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303603884 1068136430 /nfs/dbraw/zinc/13/64/30/1068136430.db2.gz UNXAWNGHTZIYRW-UPTQXZAWSA-N 1 1 458.676 3.116 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303605604 1068138938 /nfs/dbraw/zinc/13/89/38/1068138938.db2.gz ZMBDKDQOUBEQLY-NFVVUBBGSA-N 1 1 495.697 3.301 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303605604 1068138943 /nfs/dbraw/zinc/13/89/43/1068138943.db2.gz ZMBDKDQOUBEQLY-NFVVUBBGSA-N 1 1 495.697 3.301 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303605604 1068138948 /nfs/dbraw/zinc/13/89/48/1068138948.db2.gz ZMBDKDQOUBEQLY-NFVVUBBGSA-N 1 1 495.697 3.301 20 0 JGADMO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303607107 1068142749 /nfs/dbraw/zinc/14/27/49/1068142749.db2.gz XIVULWSIVMRJTO-HXUWFJFHSA-N 1 1 468.646 3.312 20 0 JGADMO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001303607107 1068142758 /nfs/dbraw/zinc/14/27/58/1068142758.db2.gz XIVULWSIVMRJTO-HXUWFJFHSA-N 1 1 468.646 3.312 20 0 JGADMO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CC=CCC1 ZINC001303609583 1068144638 /nfs/dbraw/zinc/14/46/38/1068144638.db2.gz HGQMBFJDXWNRBL-RBBKRZOGSA-N 1 1 452.603 3.047 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001305071815 1068145071 /nfs/dbraw/zinc/14/50/71/1068145071.db2.gz ZVMLEJGWIGIREN-APWZRJJASA-N 1 1 469.055 3.081 20 0 JGADMO C[C@@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303613259 1068147470 /nfs/dbraw/zinc/14/74/70/1068147470.db2.gz KOLSLBAANPUSRN-YUXAGFNASA-N 1 1 472.609 3.409 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001305073437 1068147558 /nfs/dbraw/zinc/14/75/58/1068147558.db2.gz CZJVMHQATYLXAL-NSHGMRRFSA-N 1 1 480.704 3.269 20 0 JGADMO C[C@@H](c1ccccc1F)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303613718 1068148041 /nfs/dbraw/zinc/14/80/41/1068148041.db2.gz SYJAAQSRNCLMIA-FQEVSTJZSA-N 1 1 485.652 3.124 20 0 JGADMO C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303620911 1068153065 /nfs/dbraw/zinc/15/30/65/1068153065.db2.gz KQERSNDABVPUOB-PZJWPPBQSA-N 1 1 471.627 3.493 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303629683 1068160549 /nfs/dbraw/zinc/16/05/49/1068160549.db2.gz NJGDRZMGUHNZSZ-IRXDYDNUSA-N 1 1 472.581 3.221 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001303630288 1068161548 /nfs/dbraw/zinc/16/15/48/1068161548.db2.gz QXHXJWRNGMAEGD-MOPGFXCFSA-N 1 1 494.731 3.093 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001303630292 1068161595 /nfs/dbraw/zinc/16/15/95/1068161595.db2.gz QXHXJWRNGMAEGD-OALUTQOASA-N 1 1 494.731 3.093 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(F)F)CC1 ZINC001303631006 1068162187 /nfs/dbraw/zinc/16/21/87/1068162187.db2.gz UJQRAOUYEJJSJQ-KRWDZBQOSA-N 1 1 482.601 3.131 20 0 JGADMO CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001305096001 1068163373 /nfs/dbraw/zinc/16/33/73/1068163373.db2.gz RPOBVCGGBQFYBY-FQEVSTJZSA-N 1 1 460.623 3.085 20 0 JGADMO C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001305105406 1068173139 /nfs/dbraw/zinc/17/31/39/1068173139.db2.gz FBLAKITYFMCFDA-WIYYLYMNSA-N 1 1 475.037 3.299 20 0 JGADMO CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001305105410 1068173197 /nfs/dbraw/zinc/17/31/97/1068173197.db2.gz DOCNGHQGZVGLIU-OYRHEFFESA-N 1 1 489.709 3.311 20 0 JGADMO CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001305105410 1068173199 /nfs/dbraw/zinc/17/31/99/1068173199.db2.gz DOCNGHQGZVGLIU-OYRHEFFESA-N 1 1 489.709 3.311 20 0 JGADMO CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001305105410 1068173202 /nfs/dbraw/zinc/17/32/02/1068173202.db2.gz DOCNGHQGZVGLIU-OYRHEFFESA-N 1 1 489.709 3.311 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001303646051 1068174497 /nfs/dbraw/zinc/17/44/97/1068174497.db2.gz ORGUAGXQNKWOKO-KXBFYZLASA-N 1 1 475.435 3.425 20 0 JGADMO O=C(CNC(=O)c1ccccc1OC(F)F)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305108822 1068178338 /nfs/dbraw/zinc/17/83/38/1068178338.db2.gz PUOOLLFNFSODRF-HSALFYBXSA-N 1 1 457.521 3.435 20 0 JGADMO CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001305109098 1068179031 /nfs/dbraw/zinc/17/90/31/1068179031.db2.gz OKXPSJBFUGNVBY-HBMCJLEFSA-N 1 1 476.666 3.132 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001303651640 1068180663 /nfs/dbraw/zinc/18/06/63/1068180663.db2.gz CCIMVBAKCOPVHR-RTBURBONSA-N 1 1 479.629 3.314 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001305111241 1068182339 /nfs/dbraw/zinc/18/23/39/1068182339.db2.gz AFQILWSXUPJQFO-FUPPJEDESA-N 1 1 482.673 3.043 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@@H+](C)C1CCCCC1 ZINC001303652681 1068182733 /nfs/dbraw/zinc/18/27/33/1068182733.db2.gz JVSYZNWMFDFLCZ-LJQANCHMSA-N 1 1 451.619 3.246 20 0 JGADMO C[C@@H](N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305111429 1068182873 /nfs/dbraw/zinc/18/28/73/1068182873.db2.gz CKFBXQGOLFDMKU-FGTMMUONSA-N 1 1 472.600 3.191 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001303652848 1068183287 /nfs/dbraw/zinc/18/32/87/1068183287.db2.gz KZWLHFVFTKVMAH-CABCVRRESA-N 1 1 492.411 3.323 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001305111559 1068183577 /nfs/dbraw/zinc/18/35/77/1068183577.db2.gz AIINCWRBXKHQDP-YESZJQIVSA-N 1 1 493.027 3.292 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001305111560 1068183590 /nfs/dbraw/zinc/18/35/90/1068183590.db2.gz AIINCWRBXKHQDP-ZACQAIPSSA-N 1 1 493.027 3.292 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3C[C@H](C)O[C@@]4(CCCOC4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112164 1068186072 /nfs/dbraw/zinc/18/60/72/1068186072.db2.gz JNUQXYBRYJQCTL-ZDQHKECQSA-N 1 1 463.667 3.238 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC001305113135 1068188747 /nfs/dbraw/zinc/18/87/47/1068188747.db2.gz MGATUQLQFPPDGK-CALCHBBNSA-N 1 1 473.572 3.481 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305114359 1068191678 /nfs/dbraw/zinc/19/16/78/1068191678.db2.gz RRAOAXFJZNIPMM-OTWHNJEPSA-N 1 1 495.594 3.301 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@H](C)O1 ZINC001305114455 1068192554 /nfs/dbraw/zinc/19/25/54/1068192554.db2.gz YFGXXDNEHRUKLQ-ZDQHKECQSA-N 1 1 463.667 3.139 20 0 JGADMO C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303662076 1068193340 /nfs/dbraw/zinc/19/33/40/1068193340.db2.gz CJTNQPJUSQCGTG-SJBKTWHCSA-N 1 1 477.613 3.043 20 0 JGADMO CC1CC[NH+](CCn2c(N3CCN(C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001305114814 1068193529 /nfs/dbraw/zinc/19/35/29/1068193529.db2.gz VHTWYCXYGHTNRC-HSZRJFAPSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC001303663268 1068195113 /nfs/dbraw/zinc/19/51/13/1068195113.db2.gz BCWTYSHIMYNSIX-UGKGYDQZSA-N 1 1 454.619 3.003 20 0 JGADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305116846 1068196178 /nfs/dbraw/zinc/19/61/78/1068196178.db2.gz ISHSHONDGIAPPL-LPHOPBHVSA-N 1 1 489.462 3.495 20 0 JGADMO C[C@@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303664449 1068197457 /nfs/dbraw/zinc/19/74/57/1068197457.db2.gz KTRRALBJVRHZCW-RBBKRZOGSA-N 1 1 482.654 3.264 20 0 JGADMO C[C@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303666021 1068199382 /nfs/dbraw/zinc/19/93/82/1068199382.db2.gz WELSZPYATWIAIM-IFMALSPDSA-N 1 1 497.669 3.049 20 0 JGADMO C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303667225 1068201485 /nfs/dbraw/zinc/20/14/85/1068201485.db2.gz ONEAJLOJEFYTAK-KZKAQZJJSA-N 1 1 482.673 3.419 20 0 JGADMO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303667026 1068201495 /nfs/dbraw/zinc/20/14/95/1068201495.db2.gz ONEAJLOJEFYTAK-JMJGKCIBSA-N 1 1 482.673 3.419 20 0 JGADMO C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303667226 1068202008 /nfs/dbraw/zinc/20/20/08/1068202008.db2.gz ONEAJLOJEFYTAK-MLDBQTBOSA-N 1 1 482.673 3.419 20 0 JGADMO C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303668007 1068202885 /nfs/dbraw/zinc/20/28/85/1068202885.db2.gz WQSWRWSCDNVFOR-MDNUFGMLSA-N 1 1 489.686 3.444 20 0 JGADMO COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001303669219 1068203888 /nfs/dbraw/zinc/20/38/88/1068203888.db2.gz FWZLUHFXWXHSDL-KNQAVFIVSA-N 1 1 452.448 3.481 20 0 JGADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2CCCC[C@@H]2C)CC(C)(C)O1 ZINC001305122977 1068206451 /nfs/dbraw/zinc/20/64/51/1068206451.db2.gz PPUXQOHGFIGLRX-OALUTQOASA-N 1 1 455.607 3.194 20 0 JGADMO C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)C1CCCC1)c1nccs1 ZINC001303674778 1068212960 /nfs/dbraw/zinc/21/29/60/1068212960.db2.gz PPFYUHJAZHRGGG-KRWDZBQOSA-N 1 1 468.631 3.496 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)S1 ZINC001305131789 1068217212 /nfs/dbraw/zinc/21/72/12/1068217212.db2.gz DZFOGGAXXWACBX-IYBDPMFKSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)S1 ZINC001305131789 1068217220 /nfs/dbraw/zinc/21/72/20/1068217220.db2.gz DZFOGGAXXWACBX-IYBDPMFKSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)S1 ZINC001305133139 1068218885 /nfs/dbraw/zinc/21/88/85/1068218885.db2.gz LMTOJFKMMHAPQW-QEEYODRMSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001305133299 1068219986 /nfs/dbraw/zinc/21/99/86/1068219986.db2.gz MANZQGFJECJXFD-SJORKVTESA-N 1 1 488.649 3.024 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)cc(F)c1)[N@@H+](C)C1CC1 ZINC001303684125 1068221924 /nfs/dbraw/zinc/22/19/24/1068221924.db2.gz ITUWUBFZAPUVDA-HNNXBMFYSA-N 1 1 455.513 3.323 20 0 JGADMO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1)[N@@H+](C)C1CC1 ZINC001303686615 1068224700 /nfs/dbraw/zinc/22/47/00/1068224700.db2.gz HHUINPNTTAWUDL-MJGOQNOKSA-N 1 1 475.037 3.207 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001305138697 1068231375 /nfs/dbraw/zinc/23/13/75/1068231375.db2.gz QPBMJOYTGAXNMV-IYBDPMFKSA-N 1 1 482.398 3.183 20 0 JGADMO C[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)(C)C)[N@@H+](C)C1CC1 ZINC001303692381 1068234058 /nfs/dbraw/zinc/23/40/58/1068234058.db2.gz WEEIIBIPYPYVRJ-QGZVFWFLSA-N 1 1 464.618 3.169 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCCO[C@@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305140606 1068234484 /nfs/dbraw/zinc/23/44/84/1068234484.db2.gz VHWWUQDSCGGKFJ-OALUTQOASA-N 1 1 461.582 3.283 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCCO[C@@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305140606 1068234493 /nfs/dbraw/zinc/23/44/93/1068234493.db2.gz VHWWUQDSCGGKFJ-OALUTQOASA-N 1 1 461.582 3.283 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001303694506 1068237146 /nfs/dbraw/zinc/23/71/46/1068237146.db2.gz FEFCEFBRAVCLDW-FUHWJXTLSA-N 1 1 496.628 3.160 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001305141748 1068237390 /nfs/dbraw/zinc/23/73/90/1068237390.db2.gz DFAUPEQONVAMFT-GJZGRUSLSA-N 1 1 484.464 3.494 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001305141748 1068237398 /nfs/dbraw/zinc/23/73/98/1068237398.db2.gz DFAUPEQONVAMFT-GJZGRUSLSA-N 1 1 484.464 3.494 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303695867 1068238909 /nfs/dbraw/zinc/23/89/09/1068238909.db2.gz WRHSKKMANJUAOK-NVXWUHKLSA-N 1 1 488.942 3.262 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303695866 1068238931 /nfs/dbraw/zinc/23/89/31/1068238931.db2.gz WRHSKKMANJUAOK-DOTOQJQBSA-N 1 1 488.942 3.262 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCOCC1 ZINC001303695767 1068239088 /nfs/dbraw/zinc/23/90/88/1068239088.db2.gz KFJGQLZSZPRHEX-YLJYHZDGSA-N 1 1 478.435 3.434 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001303699623 1068242075 /nfs/dbraw/zinc/24/20/75/1068242075.db2.gz KNNXAKLVIGVFKY-UXHICEINSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC001305145816 1068247106 /nfs/dbraw/zinc/24/71/06/1068247106.db2.gz JFOVLLYTARXENR-LLGFUMIMSA-N 1 1 493.027 3.294 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303703819 1068248850 /nfs/dbraw/zinc/24/88/50/1068248850.db2.gz VPPZAJTWLNYOMQ-NRFANRHFSA-N 1 1 477.657 3.499 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305148593 1068251591 /nfs/dbraw/zinc/25/15/91/1068251591.db2.gz ZDDZHQTUCDOZFY-CVEARBPZSA-N 1 1 451.974 3.462 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305148593 1068251596 /nfs/dbraw/zinc/25/15/96/1068251596.db2.gz ZDDZHQTUCDOZFY-CVEARBPZSA-N 1 1 451.974 3.462 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001305149313 1068253378 /nfs/dbraw/zinc/25/33/78/1068253378.db2.gz BFGPBUWSXFCJIS-JKSUJKDBSA-N 1 1 482.398 3.183 20 0 JGADMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC001303714347 1068260065 /nfs/dbraw/zinc/26/00/65/1068260065.db2.gz YEBNPRWJSOAKCF-RDTXWAMCSA-N 1 1 450.509 3.367 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001305153192 1068260952 /nfs/dbraw/zinc/26/09/52/1068260952.db2.gz XZCJBWBZCBRXBW-KNQAVFIVSA-N 1 1 461.054 3.486 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303715124 1068261217 /nfs/dbraw/zinc/26/12/17/1068261217.db2.gz AJHDUIKGUMEGAJ-AABGKKOBSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303715126 1068261654 /nfs/dbraw/zinc/26/16/54/1068261654.db2.gz AJHDUIKGUMEGAJ-HSALFYBXSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CCC2)CC1)[NH+](C)C ZINC001303715184 1068261826 /nfs/dbraw/zinc/26/18/26/1068261826.db2.gz BAEZXDJENPXMOW-IBGZPJMESA-N 1 1 475.682 3.017 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001305157100 1068265891 /nfs/dbraw/zinc/26/58/91/1068265891.db2.gz JQBNVRXIFKDVQY-FPOVZHCZSA-N 1 1 453.635 3.155 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305159916 1068268732 /nfs/dbraw/zinc/26/87/32/1068268732.db2.gz GSQJLLBOVCQERK-RBUKOAKNSA-N 1 1 459.639 3.363 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001305166993 1068277897 /nfs/dbraw/zinc/27/78/97/1068277897.db2.gz JCODWPCCMTZHRV-MAUKXSAKSA-N 1 1 493.534 3.480 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001305171543 1068284103 /nfs/dbraw/zinc/28/41/03/1068284103.db2.gz SEXUMERIFVOUNT-PZJWPPBQSA-N 1 1 476.666 3.228 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303729573 1068284567 /nfs/dbraw/zinc/28/45/67/1068284567.db2.gz VSTRFFKJHRFPBN-QFIPXVFZSA-N 1 1 489.668 3.479 20 0 JGADMO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303731583 1068286602 /nfs/dbraw/zinc/28/66/02/1068286602.db2.gz ODKBHUDMYYHPQG-FQEVSTJZSA-N 1 1 469.584 3.172 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001303731563 1068286923 /nfs/dbraw/zinc/28/69/23/1068286923.db2.gz NSOMMRNPSMQDAC-FQEVSTJZSA-N 1 1 482.604 3.418 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001303731563 1068286938 /nfs/dbraw/zinc/28/69/38/1068286938.db2.gz NSOMMRNPSMQDAC-FQEVSTJZSA-N 1 1 482.604 3.418 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305177571 1068291499 /nfs/dbraw/zinc/29/14/99/1068291499.db2.gz XMCYBYDPUDKUAV-OALUTQOASA-N 1 1 472.600 3.367 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305177572 1068291571 /nfs/dbraw/zinc/29/15/71/1068291571.db2.gz XMCYBYDPUDKUAV-RBUKOAKNSA-N 1 1 472.600 3.367 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC(C)(C)C1 ZINC001305179397 1068294781 /nfs/dbraw/zinc/29/47/81/1068294781.db2.gz AOVIMQXOOFXTPB-GBESFXJTSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC(C)(C)C1 ZINC001305179397 1068294793 /nfs/dbraw/zinc/29/47/93/1068294793.db2.gz AOVIMQXOOFXTPB-GBESFXJTSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001303738302 1068297174 /nfs/dbraw/zinc/29/71/74/1068297174.db2.gz XDYKNHZWAVHAQH-CABCVRRESA-N 1 1 452.575 3.234 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001305183729 1068301803 /nfs/dbraw/zinc/30/18/03/1068301803.db2.gz LYXKSDLPXDXKTR-ICSRJNTNSA-N 1 1 486.627 3.298 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183705 1068301855 /nfs/dbraw/zinc/30/18/55/1068301855.db2.gz RMSIDPITESPJDT-SLFFLAALSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H]1NC(=O)OC(C)(C)C ZINC001305184724 1068302746 /nfs/dbraw/zinc/30/27/46/1068302746.db2.gz QGNCQKIVQFKJIP-VAMGGRTRSA-N 1 1 478.682 3.063 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305186946 1068305792 /nfs/dbraw/zinc/30/57/92/1068305792.db2.gz SFZWEMBDNIAFKS-MOPGFXCFSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001305188062 1068307389 /nfs/dbraw/zinc/30/73/89/1068307389.db2.gz MKMYJDFKUDLMMG-UUOWRZLLSA-N 1 1 463.573 3.262 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303747613 1068309370 /nfs/dbraw/zinc/30/93/70/1068309370.db2.gz ZFCQOHHEUKCQDS-CWKRKGSWSA-N 1 1 482.673 3.419 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303752431 1068313331 /nfs/dbraw/zinc/31/33/31/1068313331.db2.gz RNMCDVQJKQBWRE-VWNXMTODSA-N 1 1 454.663 3.379 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001305192270 1068315061 /nfs/dbraw/zinc/31/50/61/1068315061.db2.gz PEGIBFNPHKBFKH-ATZDWAIDSA-N 1 1 469.508 3.287 20 0 JGADMO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1)C[NH+]1CCOCC1 ZINC001303753546 1068315732 /nfs/dbraw/zinc/31/57/32/1068315732.db2.gz BYOXCBOEGGUYJK-FQVISZRSSA-N 1 1 493.027 3.014 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305193473 1068317411 /nfs/dbraw/zinc/31/74/11/1068317411.db2.gz VHGLQFWGNWVGAQ-APWZRJJASA-N 1 1 452.525 3.294 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCNC(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001305193722 1068317859 /nfs/dbraw/zinc/31/78/59/1068317859.db2.gz CKMIOVCCZZENKK-FQEVSTJZSA-N 1 1 483.661 3.489 20 0 JGADMO CCC1([NH+]2CCC2)CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001303755171 1068318653 /nfs/dbraw/zinc/31/86/53/1068318653.db2.gz FHSURUISTIBXHQ-QFIPXVFZSA-N 1 1 458.647 3.489 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303755533 1068319109 /nfs/dbraw/zinc/31/91/09/1068319109.db2.gz OLFIQKPABYHKFW-SIKLNZKXSA-N 1 1 489.064 3.455 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)CN1CCOCC1 ZINC001303756226 1068319660 /nfs/dbraw/zinc/31/96/60/1068319660.db2.gz RJGKEIZQWNTISX-IBGZPJMESA-N 1 1 476.069 3.272 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)CN1CCOCC1 ZINC001303756226 1068319677 /nfs/dbraw/zinc/31/96/77/1068319677.db2.gz RJGKEIZQWNTISX-IBGZPJMESA-N 1 1 476.069 3.272 20 0 JGADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCSC1)C[NH+]1CCOCC1 ZINC001303758578 1068321666 /nfs/dbraw/zinc/32/16/66/1068321666.db2.gz CVDAATGPOMGJHN-DLBZAZTESA-N 1 1 451.587 3.057 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC001303758631 1068321698 /nfs/dbraw/zinc/32/16/98/1068321698.db2.gz DXPCVACFXFHYRL-PKOBYXMFSA-N 1 1 478.435 3.149 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCN(C)c1ccccc1)C[NH+]1CCOCC1 ZINC001303758568 1068321914 /nfs/dbraw/zinc/32/19/14/1068321914.db2.gz CUDBSDBCWWOJNS-FYYLOGMGSA-N 1 1 456.635 3.061 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303759374 1068323914 /nfs/dbraw/zinc/32/39/14/1068323914.db2.gz ANJODPFGSCVVJY-SFHVURJKSA-N 1 1 474.654 3.150 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F)C[NH+]1CCOCC1 ZINC001303761344 1068328354 /nfs/dbraw/zinc/32/83/54/1068328354.db2.gz DKOSUKLEIGXUBH-MSOLQXFVSA-N 1 1 486.608 3.410 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F)C[NH+]1CCOCC1 ZINC001303761345 1068328534 /nfs/dbraw/zinc/32/85/34/1068328534.db2.gz DKOSUKLEIGXUBH-ROUUACIJSA-N 1 1 486.608 3.410 20 0 JGADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCCC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001305204446 1068329373 /nfs/dbraw/zinc/32/93/73/1068329373.db2.gz RCTZHFVIYRGFBB-NRFANRHFSA-N 1 1 468.646 3.079 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303763166 1068331289 /nfs/dbraw/zinc/33/12/89/1068331289.db2.gz VLBNBKZUYMYEDE-GUDVDZBRSA-N 1 1 457.623 3.117 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@@H](C)C1 ZINC001305206834 1068333617 /nfs/dbraw/zinc/33/36/17/1068333617.db2.gz CITSQAFMKBPFSD-OALUTQOASA-N 1 1 460.648 3.149 20 0 JGADMO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001303764969 1068335463 /nfs/dbraw/zinc/33/54/63/1068335463.db2.gz WNHXLFPWJVIJLB-GBESFXJTSA-N 1 1 464.010 3.092 20 0 JGADMO C[C@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CCN1CC(F)(F)F ZINC001305208044 1068336271 /nfs/dbraw/zinc/33/62/71/1068336271.db2.gz MMGRTUZPNJATLQ-FQEVSTJZSA-N 1 1 494.606 3.247 20 0 JGADMO C[C@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CCN1CC(F)(F)F ZINC001305208044 1068336290 /nfs/dbraw/zinc/33/62/90/1068336290.db2.gz MMGRTUZPNJATLQ-FQEVSTJZSA-N 1 1 494.606 3.247 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2cccnc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303769409 1068342250 /nfs/dbraw/zinc/34/22/50/1068342250.db2.gz QJDIQFDSBPVQCJ-SVFBPWRDSA-N 1 1 469.634 3.098 20 0 JGADMO C[C@H]1CN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCN1CC(F)(F)F ZINC001305212561 1068342930 /nfs/dbraw/zinc/34/29/30/1068342930.db2.gz WKYWXLIGSOCBFA-SFHVURJKSA-N 1 1 472.600 3.194 20 0 JGADMO C[C@H]1CN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CCN1CC(F)(F)F ZINC001305212561 1068342947 /nfs/dbraw/zinc/34/29/47/1068342947.db2.gz WKYWXLIGSOCBFA-SFHVURJKSA-N 1 1 472.600 3.194 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC(C)(C)O1 ZINC001305213487 1068345214 /nfs/dbraw/zinc/34/52/14/1068345214.db2.gz OXHOKCQIDHYYOV-SFHVURJKSA-N 1 1 464.010 3.237 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303772079 1068349589 /nfs/dbraw/zinc/34/95/89/1068349589.db2.gz UNKCQBWQTYJMHJ-UONOGXRCSA-N 1 1 458.003 3.090 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC(C)(C)O1 ZINC001305215381 1068349877 /nfs/dbraw/zinc/34/98/77/1068349877.db2.gz CXABTEVWWAOBDS-XUVXKRRUSA-N 1 1 463.667 3.311 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC(C)(C)O1 ZINC001305215381 1068349893 /nfs/dbraw/zinc/34/98/93/1068349893.db2.gz CXABTEVWWAOBDS-XUVXKRRUSA-N 1 1 463.667 3.311 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303772213 1068350330 /nfs/dbraw/zinc/35/03/30/1068350330.db2.gz WSLWIPSAZYDNLL-WBVHZDCISA-N 1 1 463.007 3.242 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001305215745 1068350759 /nfs/dbraw/zinc/35/07/59/1068350759.db2.gz GWNHHQDLLCYYAP-IECBHUPTSA-N 1 1 461.582 3.109 20 0 JGADMO Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001303773850 1068352273 /nfs/dbraw/zinc/35/22/73/1068352273.db2.gz KTWAESCYXASQLO-CTNGQTDRSA-N 1 1 453.587 3.039 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305217106 1068352768 /nfs/dbraw/zinc/35/27/68/1068352768.db2.gz PHGGHHXYTBSWGY-MXEMCNAFSA-N 1 1 465.708 3.495 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305219640 1068356924 /nfs/dbraw/zinc/35/69/24/1068356924.db2.gz CCJGEJMZDMIPHE-SFTDATJTSA-N 1 1 476.710 3.455 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303779710 1068357325 /nfs/dbraw/zinc/35/73/25/1068357325.db2.gz UOOUEORNPVECQF-UGKGYDQZSA-N 1 1 459.660 3.470 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303779710 1068357333 /nfs/dbraw/zinc/35/73/33/1068357333.db2.gz UOOUEORNPVECQF-UGKGYDQZSA-N 1 1 459.660 3.470 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2Nc2ccn(C)n2)CCCO1 ZINC001305220446 1068357478 /nfs/dbraw/zinc/35/74/78/1068357478.db2.gz FTOHQDZZOOIWLZ-KRWDZBQOSA-N 1 1 459.982 3.489 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)C(C)(C)C ZINC001305220340 1068357895 /nfs/dbraw/zinc/35/78/95/1068357895.db2.gz FFOIJGFCYKFTBE-SJORKVTESA-N 1 1 466.051 3.485 20 0 JGADMO C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC001305221350 1068359835 /nfs/dbraw/zinc/35/98/35/1068359835.db2.gz JHTXWUJQDMJCLU-OTWHNJEPSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@H]1COCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305221661 1068360967 /nfs/dbraw/zinc/36/09/67/1068360967.db2.gz IJEBXZCXJUPRII-FPOVZHCZSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)O ZINC001305222045 1068361519 /nfs/dbraw/zinc/36/15/19/1068361519.db2.gz MHRYVPLIVULDQO-DZGCQCFKSA-N 1 1 452.372 3.291 20 0 JGADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305222535 1068362606 /nfs/dbraw/zinc/36/26/06/1068362606.db2.gz PHHPXKCPROEXFN-MOPGFXCFSA-N 1 1 490.599 3.377 20 0 JGADMO C[C@H]1CSCCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305222546 1068362762 /nfs/dbraw/zinc/36/27/62/1068362762.db2.gz PHQVLQLMSSASLN-LEWJYISDSA-N 1 1 459.660 3.342 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(Nc3ccn(C)n3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001305222684 1068363519 /nfs/dbraw/zinc/36/35/19/1068363519.db2.gz PTUCCGJUEQBYRH-QGFMHUBQSA-N 1 1 488.637 3.025 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cc(Br)cn2C)n1CCCOC(F)F ZINC001305223594 1068364540 /nfs/dbraw/zinc/36/45/40/1068364540.db2.gz UGFMPRVZPGABRF-HIFRSBDPSA-N 1 1 473.366 3.348 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001305223641 1068365197 /nfs/dbraw/zinc/36/51/97/1068365197.db2.gz URDXEXAVSATMOM-REWPJTCUSA-N 1 1 475.609 3.358 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)CCCO1 ZINC001305224889 1068368305 /nfs/dbraw/zinc/36/83/05/1068368305.db2.gz ZWVFLZABMFWFQX-IBGZPJMESA-N 1 1 461.582 3.112 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCOCCCO ZINC001305225529 1068369715 /nfs/dbraw/zinc/36/97/15/1068369715.db2.gz UZFXMFQCSVTBEO-WMZOPIPTSA-N 1 1 484.428 3.236 20 0 JGADMO C[C@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305229235 1068374168 /nfs/dbraw/zinc/37/41/68/1068374168.db2.gz QNBXLXGHYSFQSP-OALUTQOASA-N 1 1 474.675 3.253 20 0 JGADMO C[C@@H](N1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CC=CCC2)CC1)C(F)(F)F ZINC001303792085 1068375780 /nfs/dbraw/zinc/37/57/80/1068375780.db2.gz CLPPDUVPOHLMKM-QGZVFWFLSA-N 1 1 454.566 3.265 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCOC(C)(C)C ZINC001305233263 1068379451 /nfs/dbraw/zinc/37/94/51/1068379451.db2.gz BGODYANATPOFGU-HXUWFJFHSA-N 1 1 467.618 3.103 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCOC(C)(C)C ZINC001305233263 1068379460 /nfs/dbraw/zinc/37/94/60/1068379460.db2.gz BGODYANATPOFGU-HXUWFJFHSA-N 1 1 467.618 3.103 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303794458 1068379741 /nfs/dbraw/zinc/37/97/41/1068379741.db2.gz BPJJMMILPUPDKR-PWRODBHTSA-N 1 1 474.650 3.174 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCOCC2)C1 ZINC001303794720 1068381017 /nfs/dbraw/zinc/38/10/17/1068381017.db2.gz COWUJODTJOHIAM-UXHICEINSA-N 1 1 478.682 3.428 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001305234950 1068384308 /nfs/dbraw/zinc/38/43/08/1068384308.db2.gz ZCHBTQAFYRZBQF-UXHICEINSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001305234950 1068384328 /nfs/dbraw/zinc/38/43/28/1068384328.db2.gz ZCHBTQAFYRZBQF-UXHICEINSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1 ZINC001305235034 1068385603 /nfs/dbraw/zinc/38/56/03/1068385603.db2.gz ZRSQZARPWXSQLJ-OAHLLOKOSA-N 1 1 450.356 3.294 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1 ZINC001305235034 1068385614 /nfs/dbraw/zinc/38/56/14/1068385614.db2.gz ZRSQZARPWXSQLJ-OAHLLOKOSA-N 1 1 450.356 3.294 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303797465 1068387900 /nfs/dbraw/zinc/38/79/00/1068387900.db2.gz MOTSXLVXAXSRKO-PNYFIKQUSA-N 1 1 462.639 3.352 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001303800491 1068395393 /nfs/dbraw/zinc/39/53/93/1068395393.db2.gz YUQYWJJZGQLQFU-RBUKOAKNSA-N 1 1 472.638 3.205 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CC[N@@H+](C)C1CCCC1 ZINC001303803073 1068401365 /nfs/dbraw/zinc/40/13/65/1068401365.db2.gz IJXQEUAVJXIFLM-CVEARBPZSA-N 1 1 484.617 3.238 20 0 JGADMO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001303804396 1068405049 /nfs/dbraw/zinc/40/50/49/1068405049.db2.gz TXAIERSLRCKWAZ-JZXOWHBKSA-N 1 1 466.677 3.164 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303809277 1068416076 /nfs/dbraw/zinc/41/60/76/1068416076.db2.gz HMNXORSMLUQTQL-ZBFHGGJFSA-N 1 1 496.012 3.091 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001305256093 1068419411 /nfs/dbraw/zinc/41/94/11/1068419411.db2.gz PKQKGEPVXQGAQJ-IPJJNNNSSA-N 1 1 491.727 3.399 20 0 JGADMO C[C@@H]1SCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)[C@H]1C ZINC001305256974 1068420015 /nfs/dbraw/zinc/42/00/15/1068420015.db2.gz ILGQTSKJKACMFQ-ROUUACIJSA-N 1 1 460.623 3.002 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305258163 1068423206 /nfs/dbraw/zinc/42/32/06/1068423206.db2.gz SZQXRRLSLNIVPC-SOLBZPMBSA-N 1 1 451.040 3.171 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305258933 1068424283 /nfs/dbraw/zinc/42/42/83/1068424283.db2.gz YAYLFZHLZKTORX-ILXRZTDVSA-N 1 1 469.453 3.087 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001305261540 1068430670 /nfs/dbraw/zinc/43/06/70/1068430670.db2.gz BGQDOSJXNHLZBK-HXUWFJFHSA-N 1 1 453.635 3.408 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001305261968 1068432092 /nfs/dbraw/zinc/43/20/92/1068432092.db2.gz FUTUHAZZMXBINK-UXHICEINSA-N 1 1 488.080 3.120 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001305262201 1068432804 /nfs/dbraw/zinc/43/28/04/1068432804.db2.gz ALRCJSHMOWJFFY-HXUWFJFHSA-N 1 1 473.021 3.267 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001305262191 1068432910 /nfs/dbraw/zinc/43/29/10/1068432910.db2.gz ALRCJSHMOWJFFY-FQEVSTJZSA-N 1 1 473.021 3.267 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccccc2)C2CC2)C1 ZINC001303819656 1068434360 /nfs/dbraw/zinc/43/43/60/1068434360.db2.gz FMHJAUBTJMWVNB-PZJWPPBQSA-N 1 1 474.675 3.178 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccccc2)C2CC2)C1 ZINC001303819653 1068434427 /nfs/dbraw/zinc/43/44/27/1068434427.db2.gz FMHJAUBTJMWVNB-CTNGQTDRSA-N 1 1 474.675 3.178 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303827173 1068446419 /nfs/dbraw/zinc/44/64/19/1068446419.db2.gz OSCOXVZCRXOOMF-MOXQZVSFSA-N 1 1 492.665 3.174 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc[nH+]c2C)C1 ZINC001305266107 1068448847 /nfs/dbraw/zinc/44/88/47/1068448847.db2.gz NVKLFLFRVSHNMD-KRWDZBQOSA-N 1 1 459.957 3.438 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303828488 1068449774 /nfs/dbraw/zinc/44/97/74/1068449774.db2.gz AUQFUWPRCGLZJE-CTNGQTDRSA-N 1 1 474.675 3.147 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305266530 1068450082 /nfs/dbraw/zinc/45/00/82/1068450082.db2.gz LENCYIIQBCJCNW-IRLDBZIGSA-N 1 1 467.662 3.269 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC001305269020 1068460032 /nfs/dbraw/zinc/46/00/32/1068460032.db2.gz QFTGEFLKXAWOSE-DEOSSOPVSA-N 1 1 475.641 3.259 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001305269183 1068460831 /nfs/dbraw/zinc/46/08/31/1068460831.db2.gz TZHFELJGBXPKLK-RPWUZVMVSA-N 1 1 482.673 3.359 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CC1(C)C ZINC001303833406 1068461444 /nfs/dbraw/zinc/46/14/44/1068461444.db2.gz HBRZUGOZEWKXCB-ZJOUEHCJSA-N 1 1 480.723 3.415 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303843151 1068472816 /nfs/dbraw/zinc/47/28/16/1068472816.db2.gz VJEGPTACNRMZGP-VQTJNVASSA-N 1 1 466.696 3.313 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001305272877 1068473451 /nfs/dbraw/zinc/47/34/51/1068473451.db2.gz VLYVJCMSNLKAQS-LEWJYISDSA-N 1 1 454.619 3.145 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001303845331 1068479316 /nfs/dbraw/zinc/47/93/16/1068479316.db2.gz MSRNBEOTDWTVCZ-CNNODRBYSA-N 1 1 474.675 3.156 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303851234 1068488577 /nfs/dbraw/zinc/48/85/77/1068488577.db2.gz DFHLBJVDBVDCLC-HSALFYBXSA-N 1 1 478.663 3.477 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCCc1ccccc1 ZINC001303851540 1068489684 /nfs/dbraw/zinc/48/96/84/1068489684.db2.gz FKGIIIZLMLLPOQ-HXUWFJFHSA-N 1 1 476.691 3.222 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001303851622 1068490320 /nfs/dbraw/zinc/49/03/20/1068490320.db2.gz GQAZVYPOZVUZNP-JBACZVJFSA-N 1 1 474.675 3.003 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001305292009 1068495407 /nfs/dbraw/zinc/49/54/07/1068495407.db2.gz DDRJCAGWQLXZKU-YADHBBJMSA-N 1 1 451.974 3.200 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001305292006 1068495430 /nfs/dbraw/zinc/49/54/30/1068495430.db2.gz DDRJCAGWQLXZKU-FGZHOGPDSA-N 1 1 451.974 3.200 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cc(C2CC2)ccc1F ZINC001303855846 1068495802 /nfs/dbraw/zinc/49/58/02/1068495802.db2.gz XLJYSNJBGHKRSI-KRWDZBQOSA-N 1 1 492.665 3.264 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001305301592 1068510734 /nfs/dbraw/zinc/51/07/34/1068510734.db2.gz PYBPRROHXLATBH-VGSWGCGISA-N 1 1 478.435 3.027 20 0 JGADMO CC[C@](C)(O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305305529 1068513796 /nfs/dbraw/zinc/51/37/96/1068513796.db2.gz GSOAUFQGEZQQPQ-SANMLTNESA-N 1 1 468.646 3.306 20 0 JGADMO CC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305307640 1068515839 /nfs/dbraw/zinc/51/58/39/1068515839.db2.gz NVZSWMUEBCGFQD-RUZDIDTESA-N 1 1 457.619 3.121 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001303887592 1068525422 /nfs/dbraw/zinc/52/54/22/1068525422.db2.gz KJRASQRKQOOIJL-YDZRNGNQSA-N 1 1 493.649 3.299 20 0 JGADMO CC[C@@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001305313696 1068526155 /nfs/dbraw/zinc/52/61/55/1068526155.db2.gz GDTMZQSYGCNQEC-FXWJEBAPSA-N 1 1 463.667 3.047 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305314350 1068527319 /nfs/dbraw/zinc/52/73/19/1068527319.db2.gz OLZZZXBMOFLQTF-BLJFENDVSA-N 1 1 471.646 3.353 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305314350 1068527330 /nfs/dbraw/zinc/52/73/30/1068527330.db2.gz OLZZZXBMOFLQTF-BLJFENDVSA-N 1 1 471.646 3.353 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305314355 1068527826 /nfs/dbraw/zinc/52/78/26/1068527826.db2.gz OLZZZXBMOFLQTF-GGISIDAXSA-N 1 1 471.646 3.353 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305314355 1068527833 /nfs/dbraw/zinc/52/78/33/1068527833.db2.gz OLZZZXBMOFLQTF-GGISIDAXSA-N 1 1 471.646 3.353 20 0 JGADMO CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305315699 1068529559 /nfs/dbraw/zinc/52/95/59/1068529559.db2.gz VGZJMIHWSJGASJ-XTJBDQBJSA-N 1 1 457.667 3.392 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001303893229 1068531466 /nfs/dbraw/zinc/53/14/66/1068531466.db2.gz PVHKYBYIPVKZCG-ZWKOTPCHSA-N 1 1 472.609 3.392 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305317838 1068533752 /nfs/dbraw/zinc/53/37/52/1068533752.db2.gz ITPLYEQIEFXVAX-LBUQITIBSA-N 1 1 496.425 3.165 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305317838 1068533759 /nfs/dbraw/zinc/53/37/59/1068533759.db2.gz ITPLYEQIEFXVAX-LBUQITIBSA-N 1 1 496.425 3.165 20 0 JGADMO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305318210 1068534235 /nfs/dbraw/zinc/53/42/35/1068534235.db2.gz XFYSUMMKHWXBIY-QBSOXGLUSA-N 1 1 463.667 3.254 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC(C)(F)F ZINC001303897907 1068539495 /nfs/dbraw/zinc/53/94/95/1068539495.db2.gz MYODBODTSSLIJE-FXAWDEMLSA-N 1 1 494.562 3.345 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC(F)(F)F ZINC001303899582 1068542265 /nfs/dbraw/zinc/54/22/65/1068542265.db2.gz VZOINKANGRAQEC-KRWDZBQOSA-N 1 1 498.525 3.254 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC(F)(F)F ZINC001303899582 1068542276 /nfs/dbraw/zinc/54/22/76/1068542276.db2.gz VZOINKANGRAQEC-KRWDZBQOSA-N 1 1 498.525 3.254 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001303900017 1068543404 /nfs/dbraw/zinc/54/34/04/1068543404.db2.gz XNSSTOASQAQVOI-KNQAVFIVSA-N 1 1 461.582 3.141 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 ZINC001303900051 1068543415 /nfs/dbraw/zinc/54/34/15/1068543415.db2.gz XTUCSUAJKZZOSO-NTKDMRAZSA-N 1 1 461.582 3.283 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305326470 1068548889 /nfs/dbraw/zinc/54/88/89/1068548889.db2.gz YOIRAPHVGAROKF-AFMDSPMNSA-N 1 1 487.645 3.060 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305326470 1068548897 /nfs/dbraw/zinc/54/88/97/1068548897.db2.gz YOIRAPHVGAROKF-AFMDSPMNSA-N 1 1 487.645 3.060 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001305326823 1068549435 /nfs/dbraw/zinc/54/94/35/1068549435.db2.gz ZKIPLALKVCNNIP-WSZYKNRRSA-N 1 1 457.619 3.432 20 0 JGADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303907574 1068554854 /nfs/dbraw/zinc/55/48/54/1068554854.db2.gz WNENZOZECMZLIQ-VFNWGFHPSA-N 1 1 463.007 3.231 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCCS(C)(=O)=O ZINC001303908949 1068555999 /nfs/dbraw/zinc/55/59/99/1068555999.db2.gz HCGWZIYTRCNHAU-LNLFQRSKSA-N 1 1 482.050 3.179 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001305332549 1068561170 /nfs/dbraw/zinc/56/11/70/1068561170.db2.gz YZBOHICMPYNJNS-DYLHXGEVSA-N 1 1 468.646 3.391 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001305333547 1068563823 /nfs/dbraw/zinc/56/38/23/1068563823.db2.gz JFEMFXOTGKLYRD-VMODYCNZSA-N 1 1 484.689 3.179 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305335421 1068566369 /nfs/dbraw/zinc/56/63/69/1068566369.db2.gz WGFPXWNZBMDPCT-QOAPGFADSA-N 1 1 468.646 3.127 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303916191 1068567712 /nfs/dbraw/zinc/56/77/12/1068567712.db2.gz DJZOJOQSLSSWLF-QUCCMNQESA-N 1 1 493.649 3.445 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303917052 1068569126 /nfs/dbraw/zinc/56/91/26/1068569126.db2.gz PATMQENZOVCXHT-IKGGRYGDSA-N 1 1 455.538 3.031 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303921750 1068573129 /nfs/dbraw/zinc/57/31/29/1068573129.db2.gz FOMOOPDVAPPMPS-MZNJEOGPSA-N 1 1 458.582 3.133 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001303922408 1068573915 /nfs/dbraw/zinc/57/39/15/1068573915.db2.gz JBKUNMRCZNCALQ-KRWDZBQOSA-N 1 1 458.582 3.133 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(N2CC[NH+](CCOC)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001305341061 1068576369 /nfs/dbraw/zinc/57/63/69/1068576369.db2.gz NXIUIELUTHJRMK-BWKNWUBXSA-N 1 1 455.647 3.314 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303923637 1068577567 /nfs/dbraw/zinc/57/75/67/1068577567.db2.gz HDFTXEXDVHZMBZ-ZWKOTPCHSA-N 1 1 479.622 3.055 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC(N)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303924230 1068578467 /nfs/dbraw/zinc/57/84/67/1068578467.db2.gz KVWYXRSUIMQWSY-ZWKOTPCHSA-N 1 1 458.582 3.133 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303924721 1068579791 /nfs/dbraw/zinc/57/97/91/1068579791.db2.gz WSKPPCJTTVGBEG-RTBURBONSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001305343274 1068580546 /nfs/dbraw/zinc/58/05/46/1068580546.db2.gz JMHBVIAJHNPRSN-IKVMQTKTSA-N 1 1 498.672 3.004 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001303926105 1068583283 /nfs/dbraw/zinc/58/32/83/1068583283.db2.gz IPMPDTNJEDQJEK-HYHKQLJDSA-N 1 1 463.623 3.389 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)OC ZINC001305345725 1068584670 /nfs/dbraw/zinc/58/46/70/1068584670.db2.gz DKGDEZRSSUXTCW-IKLNAOFOSA-N 1 1 475.659 3.083 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305345711 1068584697 /nfs/dbraw/zinc/58/46/97/1068584697.db2.gz DFCUOIRBCKKJGH-YRISNDGFSA-N 1 1 464.010 3.189 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305345711 1068584703 /nfs/dbraw/zinc/58/47/03/1068584703.db2.gz DFCUOIRBCKKJGH-YRISNDGFSA-N 1 1 464.010 3.189 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCS(C)(=O)=O ZINC001303932460 1068591222 /nfs/dbraw/zinc/59/12/22/1068591222.db2.gz ULKSEICBJMUICX-IBGZPJMESA-N 1 1 493.649 3.447 20 0 JGADMO CC[C@@H](C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001305350262 1068593657 /nfs/dbraw/zinc/59/36/57/1068593657.db2.gz HFUAIDFRXHGTAI-CQIJRDABSA-N 1 1 481.649 3.049 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001305351008 1068594890 /nfs/dbraw/zinc/59/48/90/1068594890.db2.gz SAFAEJJLJWRPLY-WGWURMLHSA-N 1 1 486.661 3.287 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)OC ZINC001305354983 1068602737 /nfs/dbraw/zinc/60/27/37/1068602737.db2.gz UQUQHQAOCUVIKF-FKVLARQCSA-N 1 1 454.619 3.001 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC(=O)N1CCOCC1 ZINC001305371716 1068626364 /nfs/dbraw/zinc/62/63/64/1068626364.db2.gz SNLXBLKREOJILF-XJUOHMSHSA-N 1 1 468.646 3.140 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC(=O)N1CCOCC1 ZINC001305371714 1068626394 /nfs/dbraw/zinc/62/63/94/1068626394.db2.gz SNLXBLKREOJILF-QNWVGRARSA-N 1 1 468.646 3.140 20 0 JGADMO CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001305382795 1068633168 /nfs/dbraw/zinc/63/31/68/1068633168.db2.gz BKTBRPJRCWWGJE-CVDCTZTESA-N 1 1 451.619 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC2CCOCC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305390784 1068635704 /nfs/dbraw/zinc/63/57/04/1068635704.db2.gz FZJMDGRNRCZREU-NRFANRHFSA-N 1 1 455.651 3.262 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305390983 1068636176 /nfs/dbraw/zinc/63/61/76/1068636176.db2.gz GMRVWSKIGMNAFV-PWRODBHTSA-N 1 1 456.635 3.094 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H](C)N1CCOCC1 ZINC001305391761 1068636779 /nfs/dbraw/zinc/63/67/79/1068636779.db2.gz FHVPBWWAAMSRRZ-FIXSFTCYSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001305399384 1068641317 /nfs/dbraw/zinc/64/13/17/1068641317.db2.gz FKGYMTYKRCVAHF-UGKGYDQZSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001305399384 1068641322 /nfs/dbraw/zinc/64/13/22/1068641322.db2.gz FKGYMTYKRCVAHF-UGKGYDQZSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305399819 1068641998 /nfs/dbraw/zinc/64/19/98/1068641998.db2.gz SWYLBNCFLWBHLJ-GJZUVCINSA-N 1 1 485.746 3.487 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305403985 1068644154 /nfs/dbraw/zinc/64/41/54/1068644154.db2.gz KQSCJQZPGDHRNS-PMACEKPBSA-N 1 1 480.661 3.493 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)CCS(C)(=O)=O)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001305405144 1068645002 /nfs/dbraw/zinc/64/50/02/1068645002.db2.gz REPBQEIAFCSYCV-LJQANCHMSA-N 1 1 461.676 3.499 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)CCS(C)(=O)=O)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001305405144 1068645004 /nfs/dbraw/zinc/64/50/04/1068645004.db2.gz REPBQEIAFCSYCV-LJQANCHMSA-N 1 1 461.676 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1cccc(F)c1 ZINC001305412076 1068651316 /nfs/dbraw/zinc/65/13/16/1068651316.db2.gz NRSHRLJMUIVINY-YCRNBWNJSA-N 1 1 456.610 3.162 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(F)c(C)c1 ZINC001305412970 1068651423 /nfs/dbraw/zinc/65/14/23/1068651423.db2.gz RVYVMBOVXWRTJC-GWJPWWOOSA-N 1 1 456.610 3.276 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305414805 1068653301 /nfs/dbraw/zinc/65/33/01/1068653301.db2.gz SAAUDZFXBDNNNL-BURNTYAHSA-N 1 1 477.698 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001305426772 1068664175 /nfs/dbraw/zinc/66/41/75/1068664175.db2.gz QDDDKUXDBRMLLZ-ILWGZMRPSA-N 1 1 455.603 3.082 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305430832 1068669264 /nfs/dbraw/zinc/66/92/64/1068669264.db2.gz MTEDPBLJGQGQJD-GCJKJVERSA-N 1 1 474.616 3.349 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@@H]1CSCCS1 ZINC001305437756 1068673218 /nfs/dbraw/zinc/67/32/18/1068673218.db2.gz APRUAORYLPFEEX-TZIWHRDSSA-N 1 1 494.775 3.411 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC1(SC)CC1 ZINC001305437796 1068673234 /nfs/dbraw/zinc/67/32/34/1068673234.db2.gz BFYRVOXLNHYHFK-LJQANCHMSA-N 1 1 462.708 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305442664 1068677637 /nfs/dbraw/zinc/67/76/37/1068677637.db2.gz GWFGCAUNPXGYFQ-RBUKOAKNSA-N 1 1 464.655 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305443828 1068679095 /nfs/dbraw/zinc/67/90/95/1068679095.db2.gz UFOGWHPRQPUXEX-QGZVFWFLSA-N 1 1 450.591 3.211 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001305457108 1068698030 /nfs/dbraw/zinc/69/80/30/1068698030.db2.gz ITPBIKRXQCVWQE-FQEVSTJZSA-N 1 1 482.677 3.325 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3ccoc3C)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305459081 1068700869 /nfs/dbraw/zinc/70/08/69/1068700869.db2.gz XKSUFCRKJBGRIO-GOSISDBHSA-N 1 1 472.634 3.203 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001305464598 1068708193 /nfs/dbraw/zinc/70/81/93/1068708193.db2.gz CDEMGBUALMNRMQ-ZJOUEHCJSA-N 1 1 475.659 3.261 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305486268 1068723617 /nfs/dbraw/zinc/72/36/17/1068723617.db2.gz HISKOHLIXJZPFZ-BHDDXSALSA-N 1 1 475.726 3.196 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001305494078 1068731845 /nfs/dbraw/zinc/73/18/45/1068731845.db2.gz YWGHZJIUBPREDZ-ISJBWFOZSA-N 1 1 483.661 3.205 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305501134 1068735870 /nfs/dbraw/zinc/73/58/70/1068735870.db2.gz NIGWCNYVWWDPPH-RPWUZVMVSA-N 1 1 495.716 3.479 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001305501843 1068737042 /nfs/dbraw/zinc/73/70/42/1068737042.db2.gz DWZWSTGAQKEXHC-GOSISDBHSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(OC)c(F)c1 ZINC001305503640 1068738498 /nfs/dbraw/zinc/73/84/98/1068738498.db2.gz FFRBXXMRKJOQNO-IBGZPJMESA-N 1 1 474.625 3.368 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(OC)c(F)c1 ZINC001305503640 1068738505 /nfs/dbraw/zinc/73/85/05/1068738505.db2.gz FFRBXXMRKJOQNO-IBGZPJMESA-N 1 1 474.625 3.368 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305504324 1068739506 /nfs/dbraw/zinc/73/95/06/1068739506.db2.gz HQZPHQXLEHKNJP-FQEVSTJZSA-N 1 1 472.657 3.068 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305504324 1068739515 /nfs/dbraw/zinc/73/95/15/1068739515.db2.gz HQZPHQXLEHKNJP-FQEVSTJZSA-N 1 1 472.657 3.068 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305504324 1068739525 /nfs/dbraw/zinc/73/95/25/1068739525.db2.gz HQZPHQXLEHKNJP-FQEVSTJZSA-N 1 1 472.657 3.068 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCc1scnc1C ZINC001305505175 1068740832 /nfs/dbraw/zinc/74/08/32/1068740832.db2.gz NMGITBIRCNHVQF-SFHVURJKSA-N 1 1 461.680 3.180 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCc1scnc1C ZINC001305505175 1068740837 /nfs/dbraw/zinc/74/08/37/1068740837.db2.gz NMGITBIRCNHVQF-SFHVURJKSA-N 1 1 461.680 3.180 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305505844 1068741790 /nfs/dbraw/zinc/74/17/90/1068741790.db2.gz PPWRWDAWCKFNLB-LEWJYISDSA-N 1 1 468.646 3.028 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305505844 1068741803 /nfs/dbraw/zinc/74/18/03/1068741803.db2.gz PPWRWDAWCKFNLB-LEWJYISDSA-N 1 1 468.646 3.028 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001305506935 1068744022 /nfs/dbraw/zinc/74/40/22/1068744022.db2.gz XETQRLVVOOSNRG-FGZHOGPDSA-N 1 1 498.672 3.402 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001305506935 1068744035 /nfs/dbraw/zinc/74/40/35/1068744035.db2.gz XETQRLVVOOSNRG-FGZHOGPDSA-N 1 1 498.672 3.402 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccccc1C ZINC001305508013 1068745175 /nfs/dbraw/zinc/74/51/75/1068745175.db2.gz CQQBWYHNDZBUOS-OAQYLSRUSA-N 1 1 468.646 3.314 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccccc1C ZINC001305508013 1068745182 /nfs/dbraw/zinc/74/51/82/1068745182.db2.gz CQQBWYHNDZBUOS-OAQYLSRUSA-N 1 1 468.646 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001305508048 1068745216 /nfs/dbraw/zinc/74/52/16/1068745216.db2.gz DECFWTDUFUXYGM-FQEVSTJZSA-N 1 1 470.666 3.029 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305508431 1068746218 /nfs/dbraw/zinc/74/62/18/1068746218.db2.gz DFNPFYSOSKXYTC-ISKFKSNPSA-N 1 1 482.673 3.419 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305508370 1068746385 /nfs/dbraw/zinc/74/63/85/1068746385.db2.gz CLWZFMRJIUNSQA-LADGPHEKSA-N 1 1 482.673 3.299 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC1(SC)CCOCC1 ZINC001305511892 1068753487 /nfs/dbraw/zinc/75/34/87/1068753487.db2.gz WMAWXMDWFGBFBQ-LJQANCHMSA-N 1 1 461.680 3.150 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512674 1068755540 /nfs/dbraw/zinc/75/55/40/1068755540.db2.gz HLDMRHNVOPUGPD-OFNKIYASSA-N 1 1 484.645 3.012 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305513490 1068757822 /nfs/dbraw/zinc/75/78/22/1068757822.db2.gz JWPUUJSRTAXESS-HSZRJFAPSA-N 1 1 487.737 3.438 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)Oc1cccc(C)c1 ZINC001305513913 1068758927 /nfs/dbraw/zinc/75/89/27/1068758927.db2.gz MLQXRVBKYVZYRZ-FUDKSRODSA-N 1 1 468.646 3.310 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1c(F)cccc1SC ZINC001305514181 1068759556 /nfs/dbraw/zinc/75/95/56/1068759556.db2.gz NSQGFOSUGPWKDI-FXAWDEMLSA-N 1 1 474.650 3.444 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)CC1 ZINC001305515894 1068763509 /nfs/dbraw/zinc/76/35/09/1068763509.db2.gz GJKWKGXGSJJWSK-QHCPKHFHSA-N 1 1 459.594 3.199 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305517424 1068766074 /nfs/dbraw/zinc/76/60/74/1068766074.db2.gz FYBWONADGQPXNO-GOTSBHOMSA-N 1 1 497.688 3.276 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305520046 1068771341 /nfs/dbraw/zinc/77/13/41/1068771341.db2.gz BBHHXQOIZALVID-FQEVSTJZSA-N 1 1 487.668 3.292 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305520046 1068771350 /nfs/dbraw/zinc/77/13/50/1068771350.db2.gz BBHHXQOIZALVID-FQEVSTJZSA-N 1 1 487.668 3.292 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305520046 1068771355 /nfs/dbraw/zinc/77/13/55/1068771355.db2.gz BBHHXQOIZALVID-FQEVSTJZSA-N 1 1 487.668 3.292 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001305522376 1068775004 /nfs/dbraw/zinc/77/50/04/1068775004.db2.gz IMZOKVVRBKJLQO-GOTSBHOMSA-N 1 1 483.705 3.400 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001305522378 1068775030 /nfs/dbraw/zinc/77/50/30/1068775030.db2.gz IMZOKVVRBKJLQO-XZOQPEGZSA-N 1 1 483.705 3.400 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305524421 1068777261 /nfs/dbraw/zinc/77/72/61/1068777261.db2.gz UWXVNYDKKBIQDU-PCCBWWKXSA-N 1 1 475.707 3.488 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305528134 1068781728 /nfs/dbraw/zinc/78/17/28/1068781728.db2.gz JBFRGXRIHQLOBE-YLJYHZDGSA-N 1 1 461.680 3.038 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305527832 1068781965 /nfs/dbraw/zinc/78/19/65/1068781965.db2.gz QGILXAJGWGJZRH-FQEVSTJZSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305527832 1068781976 /nfs/dbraw/zinc/78/19/76/1068781976.db2.gz QGILXAJGWGJZRH-FQEVSTJZSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305527832 1068781988 /nfs/dbraw/zinc/78/19/88/1068781988.db2.gz QGILXAJGWGJZRH-FQEVSTJZSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305528498 1068782572 /nfs/dbraw/zinc/78/25/72/1068782572.db2.gz MGPPPSBHXIREAB-YADHBBJMSA-N 1 1 484.693 3.388 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305531749 1068788323 /nfs/dbraw/zinc/78/83/23/1068788323.db2.gz GVDQFUYPXPAYQQ-AQNXPRMDSA-N 1 1 470.666 3.104 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 ZINC001305532127 1068788957 /nfs/dbraw/zinc/78/89/57/1068788957.db2.gz ZERQYDHLBFNJCR-NOZRDPDXSA-N 1 1 489.753 3.143 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305532553 1068790087 /nfs/dbraw/zinc/79/00/87/1068790087.db2.gz NSQPTDNXYDWZEQ-PMACEKPBSA-N 1 1 477.723 3.152 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305532765 1068791069 /nfs/dbraw/zinc/79/10/69/1068791069.db2.gz AEOQLESGZYAZOM-OALUTQOASA-N 1 1 471.625 3.174 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305532761 1068791134 /nfs/dbraw/zinc/79/11/34/1068791134.db2.gz AEOQLESGZYAZOM-MOPGFXCFSA-N 1 1 471.625 3.174 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)n1CCC(=O)NC(C)C ZINC001305536073 1068797550 /nfs/dbraw/zinc/79/75/50/1068797550.db2.gz CJEQUYWILLLLOJ-HXUWFJFHSA-N 1 1 456.635 3.346 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3cnc(C)s3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305538599 1068804968 /nfs/dbraw/zinc/80/49/68/1068804968.db2.gz AEXVVISTYLCMHQ-UGKGYDQZSA-N 1 1 475.707 3.236 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305539394 1068806962 /nfs/dbraw/zinc/80/69/62/1068806962.db2.gz RHSPEFYAPSLDAY-GBESFXJTSA-N 1 1 460.589 3.221 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305540248 1068809711 /nfs/dbraw/zinc/80/97/11/1068809711.db2.gz TZNJBDCXPWOVFC-NHCUHLMSSA-N 1 1 486.636 3.280 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305540818 1068810583 /nfs/dbraw/zinc/81/05/83/1068810583.db2.gz FLQXMQPFSUNJHC-AQNXPRMDSA-N 1 1 475.707 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1ccc(-n2ccnc2C)nc1 ZINC001305542837 1068816277 /nfs/dbraw/zinc/81/62/77/1068816277.db2.gz FXJVMUCGBWPMTN-FQEVSTJZSA-N 1 1 466.634 3.276 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001305543074 1068817183 /nfs/dbraw/zinc/81/71/83/1068817183.db2.gz YVHCYDQVVKFOKG-SFHVURJKSA-N 1 1 452.578 3.308 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1OC ZINC001305544269 1068819995 /nfs/dbraw/zinc/81/99/95/1068819995.db2.gz GQOPVAILJFLSKK-FUDKSRODSA-N 1 1 457.619 3.044 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1csc(C)c1 ZINC001305544388 1068820993 /nfs/dbraw/zinc/82/09/93/1068820993.db2.gz PLHCQPWIAKFTRS-UGKGYDQZSA-N 1 1 460.692 3.441 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544831 1068821572 /nfs/dbraw/zinc/82/15/72/1068821572.db2.gz RTGYTMLYKLVWBH-DQEYMECFSA-N 1 1 489.753 3.145 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001305545527 1068823592 /nfs/dbraw/zinc/82/35/92/1068823592.db2.gz NZBUHHCQMXNLBI-RTBURBONSA-N 1 1 452.644 3.206 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001305545675 1068823631 /nfs/dbraw/zinc/82/36/31/1068823631.db2.gz OXYWYLGJHZFRPM-RTBURBONSA-N 1 1 453.591 3.414 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCN1CCOCC1(C)C ZINC001305546042 1068825065 /nfs/dbraw/zinc/82/50/65/1068825065.db2.gz QPONJGRAEMMSKS-QFIPXVFZSA-N 1 1 470.662 3.103 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCN1CCOCC1(C)C ZINC001305546041 1068825231 /nfs/dbraw/zinc/82/52/31/1068825231.db2.gz QPONJGRAEMMSKS-JOCHJYFZSA-N 1 1 470.662 3.103 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001305547368 1068826926 /nfs/dbraw/zinc/82/69/26/1068826926.db2.gz YYYOVTUYNNUHNV-NHCUHLMSSA-N 1 1 468.646 3.119 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305550666 1068829502 /nfs/dbraw/zinc/82/95/02/1068829502.db2.gz JMOOEEPOHKIAAR-VWPQPMDRSA-N 1 1 481.645 3.175 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](COC(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305558421 1068836260 /nfs/dbraw/zinc/83/62/60/1068836260.db2.gz BVEZICUWPASUAP-UWHLTILDSA-N 1 1 451.656 3.310 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305568400 1068843454 /nfs/dbraw/zinc/84/34/54/1068843454.db2.gz WAMBCCYPYJWEJZ-XUVXKRRUSA-N 1 1 475.638 3.377 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001305581407 1068852476 /nfs/dbraw/zinc/85/24/76/1068852476.db2.gz XQLCVUWWCBISSP-MOPGFXCFSA-N 1 1 476.691 3.208 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305581011 1068852772 /nfs/dbraw/zinc/85/27/72/1068852772.db2.gz YBCGNVKFZJHOLS-MOPGFXCFSA-N 1 1 485.658 3.137 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001305603299 1068866962 /nfs/dbraw/zinc/86/69/62/1068866962.db2.gz BBZZNBILAYANJW-QGZVFWFLSA-N 1 1 483.082 3.237 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001305603193 1068867178 /nfs/dbraw/zinc/86/71/78/1068867178.db2.gz IZEDDPBUHXFMQI-HXUWFJFHSA-N 1 1 456.635 3.379 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305603706 1068868253 /nfs/dbraw/zinc/86/82/53/1068868253.db2.gz AYZOLEQJUNTCDP-VFNWGFHPSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001305603978 1068868297 /nfs/dbraw/zinc/86/82/97/1068868297.db2.gz BLSXFEHHAJVFCA-YJLNNSPDSA-N 1 1 463.966 3.452 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305603705 1068868351 /nfs/dbraw/zinc/86/83/51/1068868351.db2.gz AYZOLEQJUNTCDP-QVKFZJNVSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001305604039 1068869295 /nfs/dbraw/zinc/86/92/95/1068869295.db2.gz AGAPHBHPMVEXBF-WIYYLYMNSA-N 1 1 458.010 3.431 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001305604172 1068869559 /nfs/dbraw/zinc/86/95/59/1068869559.db2.gz DSPZNJZOIIPPRL-SIBVEZHUSA-N 1 1 487.645 3.467 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001305605504 1068872211 /nfs/dbraw/zinc/87/22/11/1068872211.db2.gz FJHCNHWHACLMOW-XHNVNVPESA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305605856 1068872308 /nfs/dbraw/zinc/87/23/08/1068872308.db2.gz GEKUSNWAIKZRPC-OYHNWAKOSA-N 1 1 493.450 3.148 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 ZINC001305606250 1068873712 /nfs/dbraw/zinc/87/37/12/1068873712.db2.gz SKGHQTXFQZDSJS-IFMALSPDSA-N 1 1 454.619 3.040 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001305607356 1068875331 /nfs/dbraw/zinc/87/53/31/1068875331.db2.gz KQNLECOWJBHOSH-RXVVDRJESA-N 1 1 474.675 3.162 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cnccn1 ZINC001305607933 1068877227 /nfs/dbraw/zinc/87/72/27/1068877227.db2.gz NEASHPSDRHHBJA-OAHLLOKOSA-N 1 1 461.412 3.235 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001305607960 1068877535 /nfs/dbraw/zinc/87/75/35/1068877535.db2.gz NNRWUDRMWLVMLJ-WOJBJXKFSA-N 1 1 456.635 3.377 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOCC2(CC2)C1 ZINC001305608774 1068880480 /nfs/dbraw/zinc/88/04/80/1068880480.db2.gz QWZXKUYNKYIAFG-INIZCTEOSA-N 1 1 465.440 3.393 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305608948 1068880486 /nfs/dbraw/zinc/88/04/86/1068880486.db2.gz STWHXMUQARXVIX-YJBOKZPZSA-N 1 1 463.424 3.153 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001305609434 1068881290 /nfs/dbraw/zinc/88/12/90/1068881290.db2.gz DGNJHOUNGRNIHD-OALUTQOASA-N 1 1 451.619 3.130 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001305609462 1068881902 /nfs/dbraw/zinc/88/19/02/1068881902.db2.gz DNIUDIMGULNKRG-FXAWDEMLSA-N 1 1 466.586 3.141 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)C ZINC001305609806 1068882591 /nfs/dbraw/zinc/88/25/91/1068882591.db2.gz UVERAOOOKWZZNB-INIZCTEOSA-N 1 1 465.440 3.399 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001305609971 1068883924 /nfs/dbraw/zinc/88/39/24/1068883924.db2.gz XGPKAIDPCQCGDE-WIYYLYMNSA-N 1 1 475.037 3.156 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001305610190 1068884023 /nfs/dbraw/zinc/88/40/23/1068884023.db2.gz YHNSMEUCWGFKCH-OAQYLSRUSA-N 1 1 499.704 3.490 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305610413 1068884673 /nfs/dbraw/zinc/88/46/73/1068884673.db2.gz WCIXRWJTGRPWAA-JBACZVJFSA-N 1 1 456.635 3.432 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001305610420 1068884926 /nfs/dbraw/zinc/88/49/26/1068884926.db2.gz HPPUMPNSCFRAHX-NRFANRHFSA-N 1 1 469.678 3.489 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001305610889 1068885411 /nfs/dbraw/zinc/88/54/11/1068885411.db2.gz JKAFQCRHEQFRHG-LJQANCHMSA-N 1 1 452.607 3.192 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001305610937 1068885535 /nfs/dbraw/zinc/88/55/35/1068885535.db2.gz XEIOVVACRBAKBL-REWPJTCUSA-N 1 1 467.618 3.094 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001305611291 1068885620 /nfs/dbraw/zinc/88/56/20/1068885620.db2.gz LDEPCDRWASGIKE-JOCHJYFZSA-N 1 1 477.657 3.214 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001305611833 1068886909 /nfs/dbraw/zinc/88/69/09/1068886909.db2.gz NPJCZFNDANSEFO-LJQANCHMSA-N 1 1 467.593 3.034 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001305611958 1068887029 /nfs/dbraw/zinc/88/70/29/1068887029.db2.gz AQJAIPQQKLNNDU-RTWAWAEBSA-N 1 1 455.651 3.367 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001305613065 1068888538 /nfs/dbraw/zinc/88/85/38/1068888538.db2.gz UJHHZXFMCGKODT-WIYYLYMNSA-N 1 1 451.623 3.195 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1ccoc1C ZINC001305613842 1068889801 /nfs/dbraw/zinc/88/98/01/1068889801.db2.gz KKOOEQIQMFJUJW-QGZVFWFLSA-N 1 1 463.586 3.460 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001305614537 1068891148 /nfs/dbraw/zinc/89/11/48/1068891148.db2.gz OWZMEHSRSRCHTG-OALUTQOASA-N 1 1 454.598 3.263 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001305614249 1068891278 /nfs/dbraw/zinc/89/12/78/1068891278.db2.gz NHFYYISNQUZXIE-QRVBRYPASA-N 1 1 451.619 3.497 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(CC)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305614999 1068892082 /nfs/dbraw/zinc/89/20/82/1068892082.db2.gz RDUGPNMFDDPDPX-HNNXBMFYSA-N 1 1 469.619 3.146 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001305614916 1068892126 /nfs/dbraw/zinc/89/21/26/1068892126.db2.gz MYNRWEDRZJGUCI-LXBDKUERSA-N 1 1 472.609 3.049 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001305615334 1068892627 /nfs/dbraw/zinc/89/26/27/1068892627.db2.gz PMRASGHQWMCQEK-JTHBVZDNSA-N 1 1 468.646 3.173 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001305615083 1068892856 /nfs/dbraw/zinc/89/28/56/1068892856.db2.gz SFZCQCIWJPSCOI-JOCHJYFZSA-N 1 1 492.672 3.080 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001305615581 1068893457 /nfs/dbraw/zinc/89/34/57/1068893457.db2.gz AXAWPIBXBIXHHQ-QRWLVFNGSA-N 1 1 475.544 3.147 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001305615708 1068893606 /nfs/dbraw/zinc/89/36/06/1068893606.db2.gz WYBYLRNRRDEQBP-ROUUACIJSA-N 1 1 471.631 3.066 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001305615795 1068894435 /nfs/dbraw/zinc/89/44/35/1068894435.db2.gz CMBXRLTWACUYID-IEBWSBKVSA-N 1 1 493.699 3.071 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001305615795 1068894452 /nfs/dbraw/zinc/89/44/52/1068894452.db2.gz CMBXRLTWACUYID-IEBWSBKVSA-N 1 1 493.699 3.071 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001305616225 1068896051 /nfs/dbraw/zinc/89/60/51/1068896051.db2.gz UNWDKBAREBUKIQ-HKUYNNGSSA-N 1 1 462.668 3.127 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001305616321 1068896156 /nfs/dbraw/zinc/89/61/56/1068896156.db2.gz GAWVGGCVGAPXSV-GOSISDBHSA-N 1 1 471.650 3.139 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001305616752 1068896621 /nfs/dbraw/zinc/89/66/21/1068896621.db2.gz DKFJFHIAXSPOAZ-OAQYLSRUSA-N 1 1 465.621 3.456 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001305617176 1068897957 /nfs/dbraw/zinc/89/79/57/1068897957.db2.gz YLPYELPFQJNHEA-OTWHNJEPSA-N 1 1 450.628 3.353 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001305617092 1068898076 /nfs/dbraw/zinc/89/80/76/1068898076.db2.gz JXVRVJUFXNACFI-NZQKXSOJSA-N 1 1 486.661 3.068 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001305617093 1068898365 /nfs/dbraw/zinc/89/83/65/1068898365.db2.gz JXVRVJUFXNACFI-OFNKIYASSA-N 1 1 486.661 3.068 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001305617587 1068898742 /nfs/dbraw/zinc/89/87/42/1068898742.db2.gz LYVYHCWBGNWVSH-CTNGQTDRSA-N 1 1 460.667 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@@H]1CCCO1 ZINC001305617706 1068899487 /nfs/dbraw/zinc/89/94/87/1068899487.db2.gz MNOIASVDFVFKSQ-ACRUOGEOSA-N 1 1 494.681 3.322 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001305617724 1068899596 /nfs/dbraw/zinc/89/95/96/1068899596.db2.gz MPTWMPYOOHXLLC-WAOWUJCRSA-N 1 1 496.077 3.142 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001305617824 1068900504 /nfs/dbraw/zinc/90/05/04/1068900504.db2.gz JNGBSCPPKOTBRN-OAQYLSRUSA-N 1 1 485.652 3.466 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001305618211 1068901209 /nfs/dbraw/zinc/90/12/09/1068901209.db2.gz KRRYOZKYXKSJCG-GOSISDBHSA-N 1 1 453.557 3.069 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305619300 1068902252 /nfs/dbraw/zinc/90/22/52/1068902252.db2.gz IKJYMUFELCJRHN-OAQYLSRUSA-N 1 1 470.662 3.325 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 ZINC001305619189 1068902875 /nfs/dbraw/zinc/90/28/75/1068902875.db2.gz OAFRYDMPPUZFQW-LJQANCHMSA-N 1 1 451.619 3.139 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001305619657 1068903322 /nfs/dbraw/zinc/90/33/22/1068903322.db2.gz GYKNTDJSYLKQEX-WZONZLPQSA-N 1 1 464.010 3.237 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CC(C)C)nnc1N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001305619589 1068903466 /nfs/dbraw/zinc/90/34/66/1068903466.db2.gz TUMTVVFKQXKWSY-FQEVSTJZSA-N 1 1 480.661 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1 ZINC001305620005 1068904271 /nfs/dbraw/zinc/90/42/71/1068904271.db2.gz UUAQYBWCSDDJJT-PCCBWWKXSA-N 1 1 494.681 3.180 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001305620399 1068905403 /nfs/dbraw/zinc/90/54/03/1068905403.db2.gz VKRYMNHARCCJNM-QGZVFWFLSA-N 1 1 474.600 3.372 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001305620378 1068905774 /nfs/dbraw/zinc/90/57/74/1068905774.db2.gz VJOWRHWDCYKAMA-XFAGBWLFSA-N 1 1 463.573 3.262 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001305620661 1068906324 /nfs/dbraw/zinc/90/63/24/1068906324.db2.gz SAVBLJHWOAHOEA-QFIPXVFZSA-N 1 1 497.688 3.336 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001305620932 1068907019 /nfs/dbraw/zinc/90/70/19/1068907019.db2.gz KXYGXFBUFAVRIQ-LJQANCHMSA-N 1 1 484.576 3.282 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](COC)C1 ZINC001305621825 1068908915 /nfs/dbraw/zinc/90/89/15/1068908915.db2.gz WYXBYKPKMUJRCN-SFTDATJTSA-N 1 1 453.635 3.500 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305621699 1068909016 /nfs/dbraw/zinc/90/90/16/1068909016.db2.gz NHZLJWZEEDROQE-ZYLNGJIFSA-N 1 1 494.681 3.152 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001305622493 1068911109 /nfs/dbraw/zinc/91/11/09/1068911109.db2.gz RNWXMWAFEAISKZ-AZUAARDMSA-N 1 1 472.663 3.213 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ncccn2)CC1 ZINC001305623202 1068913618 /nfs/dbraw/zinc/91/36/18/1068913618.db2.gz SRBCETQQWUVFOL-OAQYLSRUSA-N 1 1 464.618 3.012 20 0 JGADMO CC[C@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001305623520 1068913691 /nfs/dbraw/zinc/91/36/91/1068913691.db2.gz LMRCITSNTGHAHQ-REWPJTCUSA-N 1 1 468.646 3.279 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001305623423 1068914394 /nfs/dbraw/zinc/91/43/94/1068914394.db2.gz UDZKXOMPBMXQKJ-RLSLOFABSA-N 1 1 492.665 3.076 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccccc2OC)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001305623454 1068914541 /nfs/dbraw/zinc/91/45/41/1068914541.db2.gz UNULFLWWWXLYRX-IBGZPJMESA-N 1 1 486.686 3.416 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001305623741 1068915618 /nfs/dbraw/zinc/91/56/18/1068915618.db2.gz VXURYUOMJVMFSU-CJFMBICVSA-N 1 1 470.618 3.235 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305631218 1068936659 /nfs/dbraw/zinc/93/66/59/1068936659.db2.gz ZSZKWQIFZNMOKD-NRSPTQNISA-N 1 1 486.661 3.477 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001305645887 1068973823 /nfs/dbraw/zinc/97/38/23/1068973823.db2.gz VOBLPZJQKZEVCV-JAXLGGSGSA-N 1 1 468.646 3.050 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001305646748 1068976713 /nfs/dbraw/zinc/97/67/13/1068976713.db2.gz YFKOCKKOHXXJGF-QGZVFWFLSA-N 1 1 487.699 3.322 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001305646747 1068976874 /nfs/dbraw/zinc/97/68/74/1068976874.db2.gz YFKOCKKOHXXJGF-KRWDZBQOSA-N 1 1 487.699 3.322 20 0 JGADMO CC[C@@H](c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001305656855 1068995876 /nfs/dbraw/zinc/99/58/76/1068995876.db2.gz GLSZYJFLBHFEFQ-TZIWHRDSSA-N 1 1 470.643 3.150 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(F)(F)F)c1ccccc1 ZINC001305658743 1068998856 /nfs/dbraw/zinc/99/88/56/1068998856.db2.gz GDLZUGTXQAVYSO-IOMROCGXSA-N 1 1 478.563 3.371 20 0 JGADMO CC[C@@H](c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001305664283 1069006577 /nfs/dbraw/zinc/00/65/77/1069006577.db2.gz CUISOXUYBIRJFV-RUZDIDTESA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@@H](c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001305664743 1069007092 /nfs/dbraw/zinc/00/70/92/1069007092.db2.gz DYZVDUXBDACTFV-NFBKMPQASA-N 1 1 488.702 3.070 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCOCC(F)F)c1ccccc1 ZINC001305667498 1069010932 /nfs/dbraw/zinc/01/09/32/1069010932.db2.gz YLHLMYTUHMLBFO-HYBUGGRVSA-N 1 1 463.573 3.403 20 0 JGADMO CC[C@H](c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001305667887 1069011531 /nfs/dbraw/zinc/01/15/31/1069011531.db2.gz SVFMXIHBYRMKKY-OFNKIYASSA-N 1 1 488.702 3.022 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001305673133 1069022624 /nfs/dbraw/zinc/02/26/24/1069022624.db2.gz QEYAOTNLZNRKMS-GOTSBHOMSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001305675224 1069027012 /nfs/dbraw/zinc/02/70/12/1069027012.db2.gz AZZYVAITMBYRGJ-DQEYMECFSA-N 1 1 498.716 3.212 20 0 JGADMO CC[C@@H](c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001305675265 1069027402 /nfs/dbraw/zinc/02/74/02/1069027402.db2.gz BHYWOCBILSYRCA-HSZRJFAPSA-N 1 1 492.672 3.017 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001305675231 1069027543 /nfs/dbraw/zinc/02/75/43/1069027543.db2.gz AZZYVAITMBYRGJ-RPBOFIJWSA-N 1 1 498.716 3.212 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001305676578 1069030523 /nfs/dbraw/zinc/03/05/23/1069030523.db2.gz SSBQUNMAERYLAB-OEMFJLHTSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001305676610 1069030877 /nfs/dbraw/zinc/03/08/77/1069030877.db2.gz HKMLLUHKNCNASY-FUHWJXTLSA-N 1 1 452.525 3.029 20 0 JGADMO CC[C@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678320 1069034477 /nfs/dbraw/zinc/03/44/77/1069034477.db2.gz RURYHNZSSKBSLZ-QPPBQGQZSA-N 1 1 454.663 3.197 20 0 JGADMO CC[C@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678321 1069034911 /nfs/dbraw/zinc/03/49/11/1069034911.db2.gz RURYHNZSSKBSLZ-URXFXBBRSA-N 1 1 454.663 3.197 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678322 1069035022 /nfs/dbraw/zinc/03/50/22/1069035022.db2.gz RURYHNZSSKBSLZ-XUZZJYLKSA-N 1 1 454.663 3.197 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1Cc1ccn(C)n1)c1ccccc1 ZINC001305679340 1069036579 /nfs/dbraw/zinc/03/65/79/1069036579.db2.gz XFDQMMRFTPBFEL-DHIUTWEWSA-N 1 1 451.619 3.149 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1Cc1ccn(C)n1)c1ccccc1 ZINC001305679342 1069036604 /nfs/dbraw/zinc/03/66/04/1069036604.db2.gz XFDQMMRFTPBFEL-PKTZIBPZSA-N 1 1 451.619 3.149 20 0 JGADMO CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001305679369 1069037531 /nfs/dbraw/zinc/03/75/31/1069037531.db2.gz XUIPUHYTFWIAFZ-QHCPKHFHSA-N 1 1 463.630 3.098 20 0 JGADMO CC[C@@H](c1nnc(Nc2ccn(C)n2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681857 1069040214 /nfs/dbraw/zinc/04/02/14/1069040214.db2.gz DRGWDSCZUNUARZ-RTWAWAEBSA-N 1 1 464.618 3.240 20 0 JGADMO CC[C@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001305682040 1069040485 /nfs/dbraw/zinc/04/04/85/1069040485.db2.gz MJKITBOZQXDARC-UNMCSNQZSA-N 1 1 459.660 3.319 20 0 JGADMO CCC(CC)(Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)OC ZINC001305696124 1069069423 /nfs/dbraw/zinc/06/94/23/1069069423.db2.gz MRNPGVXIBFIKAN-UGKGYDQZSA-N 1 1 473.618 3.153 20 0 JGADMO CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001305697173 1069072605 /nfs/dbraw/zinc/07/26/05/1069072605.db2.gz UICPZCYBBUDIBU-PZJWPPBQSA-N 1 1 462.683 3.061 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305706392 1069095242 /nfs/dbraw/zinc/09/52/42/1069095242.db2.gz NQBNVEXMFLNOFH-CTNGQTDRSA-N 1 1 469.634 3.299 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC1)[NH+]1CCOCC1 ZINC001305708940 1069102573 /nfs/dbraw/zinc/10/25/73/1069102573.db2.gz ZXDQTGCCBGUDDW-HXUWFJFHSA-N 1 1 455.607 3.051 20 0 JGADMO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001305718005 1069125404 /nfs/dbraw/zinc/12/54/04/1069125404.db2.gz XKTHBAIDZHQOPS-DHIUTWEWSA-N 1 1 456.683 3.181 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CC[NH+]1CCSCC1 ZINC001305720545 1069129092 /nfs/dbraw/zinc/12/90/92/1069129092.db2.gz PNHYEBBMWHCKLS-OAQYLSRUSA-N 1 1 456.660 3.369 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305720776 1069129701 /nfs/dbraw/zinc/12/97/01/1069129701.db2.gz RWSYHCPEVOHQNZ-FPOVZHCZSA-N 1 1 461.699 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001305723319 1069136242 /nfs/dbraw/zinc/13/62/42/1069136242.db2.gz NVSKHSNXESLOCI-KRWDZBQOSA-N 1 1 496.578 3.464 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001305723319 1069136246 /nfs/dbraw/zinc/13/62/46/1069136246.db2.gz NVSKHSNXESLOCI-KRWDZBQOSA-N 1 1 496.578 3.464 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001305725950 1069142969 /nfs/dbraw/zinc/14/29/69/1069142969.db2.gz XDIJLBWCWUJPJZ-FQEVSTJZSA-N 1 1 478.707 3.173 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)on2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305726771 1069144782 /nfs/dbraw/zinc/14/47/82/1069144782.db2.gz BGNSULCRIGJUPN-UHFFFAOYSA-N 1 1 477.573 3.067 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001305728002 1069147194 /nfs/dbraw/zinc/14/71/94/1069147194.db2.gz CEYJKORWZFRZBP-UGKGYDQZSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCCCO2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305728534 1069148723 /nfs/dbraw/zinc/14/87/23/1069148723.db2.gz QRQRLSYRDJFJAV-SVFBPWRDSA-N 1 1 478.682 3.090 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCCCO2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305728534 1069148732 /nfs/dbraw/zinc/14/87/32/1069148732.db2.gz QRQRLSYRDJFJAV-SVFBPWRDSA-N 1 1 478.682 3.090 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305735230 1069155131 /nfs/dbraw/zinc/15/51/31/1069155131.db2.gz DTYLIMZYOUWJII-MHZLTWQESA-N 1 1 498.672 3.103 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCC(C)C ZINC001305735463 1069155940 /nfs/dbraw/zinc/15/59/40/1069155940.db2.gz HQMUZIDKYZRRKN-NFBKMPQASA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1c(C)cccc1C ZINC001305736101 1069157882 /nfs/dbraw/zinc/15/78/82/1069157882.db2.gz NHKBUJHKUQGJGI-XUZZJYLKSA-N 1 1 482.673 3.213 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001305736658 1069158065 /nfs/dbraw/zinc/15/80/65/1069158065.db2.gz UFFBXZZBFMDWDX-SELNLUPBSA-N 1 1 486.636 3.296 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305737345 1069160278 /nfs/dbraw/zinc/16/02/78/1069160278.db2.gz IGZAVXUFNXJQJS-YGOYIFOWSA-N 1 1 482.673 3.436 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305737343 1069160364 /nfs/dbraw/zinc/16/03/64/1069160364.db2.gz IGZAVXUFNXJQJS-FOVJLYNBSA-N 1 1 482.673 3.436 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CC1(C)CCCC1 ZINC001305737785 1069161625 /nfs/dbraw/zinc/16/16/25/1069161625.db2.gz AZZBDWPDGOAPOB-CTNGQTDRSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCOc1ncccc1Cl ZINC001305738192 1069162963 /nfs/dbraw/zinc/16/29/63/1069162963.db2.gz LVCYFWAMBABUEC-DLBZAZTESA-N 1 1 478.041 3.243 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1Cc1csc(C)c1 ZINC001305739012 1069165789 /nfs/dbraw/zinc/16/57/89/1069165789.db2.gz DUWODEMPKYRVTD-FPOVZHCZSA-N 1 1 474.675 3.162 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC(C)(C)c1ccccn1 ZINC001305739102 1069166278 /nfs/dbraw/zinc/16/62/78/1069166278.db2.gz JEMMSYUBTMLYNI-QUCCMNQESA-N 1 1 453.635 3.242 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CC[NH+]1CCCCC1 ZINC001305740028 1069169938 /nfs/dbraw/zinc/16/99/38/1069169938.db2.gz JXCNBUWKIRRQED-UHFFFAOYSA-N 1 1 496.656 3.487 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742022 1069174930 /nfs/dbraw/zinc/17/49/30/1069174930.db2.gz UGGYDZJSYJTLAO-CVEARBPZSA-N 1 1 476.695 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742620 1069177375 /nfs/dbraw/zinc/17/73/75/1069177375.db2.gz WDZIACDHDARORI-DLBZAZTESA-N 1 1 460.598 3.311 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCc1sc(C)nc1C ZINC001305742586 1069177464 /nfs/dbraw/zinc/17/74/64/1069177464.db2.gz WABBHYSNYQQGMN-JKSUJKDBSA-N 1 1 461.680 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1CCOC1 ZINC001305751631 1069198108 /nfs/dbraw/zinc/19/81/08/1069198108.db2.gz XRXPEPYRRIPWEQ-RBBKRZOGSA-N 1 1 468.646 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001305754196 1069203969 /nfs/dbraw/zinc/20/39/69/1069203969.db2.gz YDBPOCMGASZUTF-UHFFFAOYSA-N 1 1 457.648 3.299 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001305755384 1069207462 /nfs/dbraw/zinc/20/74/62/1069207462.db2.gz ZSCLREHVWJSEBZ-OAQYLSRUSA-N 1 1 490.693 3.296 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305757842 1069215325 /nfs/dbraw/zinc/21/53/25/1069215325.db2.gz DGCPHYKSTCIWMV-AJTFRIOCSA-N 1 1 494.640 3.499 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305757844 1069215399 /nfs/dbraw/zinc/21/53/99/1069215399.db2.gz DGCPHYKSTCIWMV-CUNXSJBXSA-N 1 1 494.640 3.499 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305764129 1069233456 /nfs/dbraw/zinc/23/34/56/1069233456.db2.gz JOEWMRPTKNFQAR-UGKGYDQZSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305765669 1069237000 /nfs/dbraw/zinc/23/70/00/1069237000.db2.gz WPUSLVIKGCGAJQ-GGAORHGYSA-N 1 1 496.656 3.251 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCc1c(C)noc1C ZINC001305772238 1069250634 /nfs/dbraw/zinc/25/06/34/1069250634.db2.gz GCKXCIIRPTXWEP-UHFFFAOYSA-N 1 1 459.639 3.355 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(SC)CCOCC1 ZINC001305774577 1069255735 /nfs/dbraw/zinc/25/57/35/1069255735.db2.gz XGNQJOWVAZZTPB-UHFFFAOYSA-N 1 1 480.723 3.419 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H]1OCCC1(C)C ZINC001305775766 1069258073 /nfs/dbraw/zinc/25/80/73/1069258073.db2.gz FIZADSORNIOEFN-NRFANRHFSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC1(C)COC1 ZINC001305776004 1069258638 /nfs/dbraw/zinc/25/86/38/1069258638.db2.gz HIEZZRBUFCBRJJ-UHFFFAOYSA-N 1 1 472.609 3.084 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305776608 1069261069 /nfs/dbraw/zinc/26/10/69/1069261069.db2.gz OOZYTALROHPEDF-UHFFFAOYSA-N 1 1 485.633 3.344 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(SC)CCC1 ZINC001305777783 1069264100 /nfs/dbraw/zinc/26/41/00/1069264100.db2.gz RFDARIZLMNSLGZ-IBGZPJMESA-N 1 1 478.707 3.031 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305779938 1069269553 /nfs/dbraw/zinc/26/95/53/1069269553.db2.gz IUBLITIYRDOKDN-WOJBJXKFSA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(C)c3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305780893 1069272043 /nfs/dbraw/zinc/27/20/43/1069272043.db2.gz GRJRZCCCBXWWNK-HXUWFJFHSA-N 1 1 467.662 3.314 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305783171 1069276268 /nfs/dbraw/zinc/27/62/68/1069276268.db2.gz IOXUSHADWYLJNP-GOSISDBHSA-N 1 1 471.625 3.145 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305784569 1069281390 /nfs/dbraw/zinc/28/13/90/1069281390.db2.gz YEBGRLLMZMBATJ-FQEVSTJZSA-N 1 1 471.625 3.147 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001305784570 1069281457 /nfs/dbraw/zinc/28/14/57/1069281457.db2.gz YEBGRLLMZMBATJ-HXUWFJFHSA-N 1 1 471.625 3.147 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCOc1cccc(C)c1 ZINC001305785411 1069285741 /nfs/dbraw/zinc/28/57/41/1069285741.db2.gz FYIWUTQYQHOADT-NRFANRHFSA-N 1 1 498.672 3.273 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1Cc1occc1C ZINC001305785542 1069286295 /nfs/dbraw/zinc/28/62/95/1069286295.db2.gz HHBYQOSMKSYKTB-JOCHJYFZSA-N 1 1 480.613 3.002 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305785873 1069288124 /nfs/dbraw/zinc/28/81/24/1069288124.db2.gz QTXJPDMNBKBGDL-HXUWFJFHSA-N 1 1 473.710 3.382 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305785873 1069288135 /nfs/dbraw/zinc/28/81/35/1069288135.db2.gz QTXJPDMNBKBGDL-HXUWFJFHSA-N 1 1 473.710 3.382 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccc(Cl)cc1 ZINC001305788457 1069296777 /nfs/dbraw/zinc/29/67/77/1069296777.db2.gz VDPOIOZNHJEBGI-NRFANRHFSA-N 1 1 475.037 3.199 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305793320 1069308765 /nfs/dbraw/zinc/30/87/65/1069308765.db2.gz YLERGTLFOVDBQB-UNVFRBQDSA-N 1 1 492.709 3.337 20 0 JGADMO COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)nc(N)c2cc1OC ZINC000028394542 563063786 /nfs/dbraw/zinc/06/37/86/563063786.db2.gz MBONMNVEFUULOM-UHFFFAOYSA-N 1 1 498.392 3.047 20 0 JGADMO COc1ccc(CN2CC[NH+](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000040950182 563159302 /nfs/dbraw/zinc/15/93/02/563159302.db2.gz UJPPZAVVBRYRPU-LOSJGSFVSA-N 1 1 469.626 3.310 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1CN1CC[C@H](CO)C1 ZINC001164626074 719047271 /nfs/dbraw/zinc/04/72/71/719047271.db2.gz QMKRHLJZACAUTG-OYYXRSNLSA-N 1 1 491.680 3.464 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccc(OC)cc4)nc4ccc(F)cc43)CC2)C1=O ZINC001164635427 719271305 /nfs/dbraw/zinc/27/13/05/719271305.db2.gz QREYIZIJFQOCNW-UHFFFAOYSA-N 1 1 493.583 3.204 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccc(OC)cc4)nc4ccc(F)cc43)CC2)C1=O ZINC001164635427 719271309 /nfs/dbraw/zinc/27/13/09/719271309.db2.gz QREYIZIJFQOCNW-UHFFFAOYSA-N 1 1 493.583 3.204 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)CC2)C1=O ZINC001164644044 719284339 /nfs/dbraw/zinc/28/43/39/719284339.db2.gz AAVVKIWGMZMOIT-UHFFFAOYSA-N 1 1 452.933 3.234 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)CC2)C1=O ZINC001164644044 719284342 /nfs/dbraw/zinc/28/43/42/719284342.db2.gz AAVVKIWGMZMOIT-UHFFFAOYSA-N 1 1 452.933 3.234 20 0 JGADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC001164647501 719308007 /nfs/dbraw/zinc/30/80/07/719308007.db2.gz MURHYKLIOJDOBM-UHFFFAOYSA-N 1 1 493.637 3.378 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cnoc3C)C2)nc1 ZINC001164649297 719320990 /nfs/dbraw/zinc/32/09/90/719320990.db2.gz BZLCGWLRYZNSQO-FMRHZRETSA-N 1 1 453.587 3.339 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4onc(COCC(=O)N(C)C)c4C3)c2c1C ZINC001164662645 719341680 /nfs/dbraw/zinc/34/16/80/719341680.db2.gz RBOPBOZHKXVEIM-UHFFFAOYSA-N 1 1 484.626 3.059 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc(Cl)ncc4F)C3)C2)cc[nH+]1 ZINC001164664648 719357054 /nfs/dbraw/zinc/35/70/54/719357054.db2.gz QFVONSPZBBBCDK-HXUWFJFHSA-N 1 1 470.927 3.398 20 0 JGADMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc43)C[C@H]21 ZINC001164674333 719427390 /nfs/dbraw/zinc/42/73/90/719427390.db2.gz WHCDYXKMNUYMSD-YLJYHZDGSA-N 1 1 470.570 3.052 20 0 JGADMO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(N4CCOCC4)n3)CC2)c2ccccc21 ZINC001164680887 719674021 /nfs/dbraw/zinc/67/40/21/719674021.db2.gz IMXCTGVTZKFKTK-QFIPXVFZSA-N 1 1 477.653 3.012 20 0 JGADMO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc[nH]c4nc(=S)sc3-4)CC2)c2ccccc21 ZINC001164686825 719676684 /nfs/dbraw/zinc/67/66/84/719676684.db2.gz XEPWERMCYMLZPX-MRXNPFEDSA-N 1 1 482.679 3.468 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)nc1 ZINC001164684373 719692082 /nfs/dbraw/zinc/69/20/82/719692082.db2.gz IGKJJEKYMJNTCQ-DENIHFKCSA-N 1 1 452.603 3.153 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164690130 719738611 /nfs/dbraw/zinc/73/86/11/719738611.db2.gz UDWPCRYAONXRNT-UHFFFAOYSA-N 1 1 482.698 3.347 20 0 JGADMO COC(=O)C1CCN(c2nccnc2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)CC1 ZINC001164691583 719811305 /nfs/dbraw/zinc/81/13/05/719811305.db2.gz IBGAGUUJGBOBFS-UHFFFAOYSA-N 1 1 470.643 3.266 20 0 JGADMO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164695854 719835124 /nfs/dbraw/zinc/83/51/24/719835124.db2.gz PPCTWZRXZVNHAI-LJQANCHMSA-N 1 1 453.978 3.175 20 0 JGADMO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164707402 719868672 /nfs/dbraw/zinc/86/86/72/719868672.db2.gz SCVHKWCVSVPSIF-UQBPGWFLSA-N 1 1 487.670 3.137 20 0 JGADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OCc3ccccc3)ccc21 ZINC001164707437 719877395 /nfs/dbraw/zinc/87/73/95/719877395.db2.gz SPBGQRWJKUGXMG-KDYSTLNUSA-N 1 1 476.577 3.442 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)n1 ZINC001164704364 719884324 /nfs/dbraw/zinc/88/43/24/719884324.db2.gz VYUQRXQFDGOZRV-GUDVDZBRSA-N 1 1 495.653 3.277 20 0 JGADMO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)CC1 ZINC001164696236 719895438 /nfs/dbraw/zinc/89/54/38/719895438.db2.gz DGCQPLHQZXHDEH-UHFFFAOYSA-N 1 1 485.654 3.189 20 0 JGADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc2C1 ZINC001164707748 719909487 /nfs/dbraw/zinc/90/94/87/719909487.db2.gz XGTLLURIXASAGT-GOSISDBHSA-N 1 1 456.612 3.078 20 0 JGADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164706875 719909545 /nfs/dbraw/zinc/90/95/45/719909545.db2.gz LFMBAIAQTLGSPL-OAHLLOKOSA-N 1 1 450.992 3.339 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@H]4C3)c2c1C ZINC001164701856 719921896 /nfs/dbraw/zinc/92/18/96/719921896.db2.gz DHFZLVLBFDYHNC-HSALFYBXSA-N 1 1 485.654 3.157 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@H]43)c2c1C ZINC001164714964 720085506 /nfs/dbraw/zinc/08/55/06/720085506.db2.gz XQZWWWZZHCSRRE-REHUZNOOSA-N 1 1 499.681 3.279 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4nnc(Cn5cccc5)n4CC3)c2c1C ZINC001164710737 720090523 /nfs/dbraw/zinc/09/05/23/720090523.db2.gz LRQXSGUUZQCRNG-UHFFFAOYSA-N 1 1 462.627 3.408 20 0 JGADMO CC(C)n1nc(CN(c2nccs2)c2cccc(N3CCN(C)CC3)n2)c2c1C[NH2+]CC2 ZINC001164709582 720091853 /nfs/dbraw/zinc/09/18/53/720091853.db2.gz AZSGEOMUNDLARY-UHFFFAOYSA-N 1 1 452.632 3.051 20 0 JGADMO CCOC(=O)c1cnc(SC)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164712134 720095117 /nfs/dbraw/zinc/09/51/17/720095117.db2.gz VUKMBGOZFZOAJT-IBGZPJMESA-N 1 1 471.627 3.278 20 0 JGADMO CCOC(=O)c1cnc(SC)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164712136 720095807 /nfs/dbraw/zinc/09/58/07/720095807.db2.gz VUKMBGOZFZOAJT-LJQANCHMSA-N 1 1 471.627 3.278 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164712125 720103149 /nfs/dbraw/zinc/10/31/49/720103149.db2.gz VRKIRFFNVZPWGP-FQEVSTJZSA-N 1 1 461.566 3.304 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)C2 ZINC001164813765 720114149 /nfs/dbraw/zinc/11/41/49/720114149.db2.gz QKKQBWHIRJVJCJ-YZZKKUAISA-N 1 1 461.010 3.364 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164719469 720123968 /nfs/dbraw/zinc/12/39/68/720123968.db2.gz XKEFXCIKRJBTCH-MRXNPFEDSA-N 1 1 459.953 3.020 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(-c3ccccc3)n1)CC2 ZINC001164716270 720125483 /nfs/dbraw/zinc/12/54/83/720125483.db2.gz KBGJHWFYMMBKRG-QFIPXVFZSA-N 1 1 460.582 3.450 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164714829 720132237 /nfs/dbraw/zinc/13/22/37/720132237.db2.gz ZNWZPIUERXANNI-QFIPXVFZSA-N 1 1 481.641 3.461 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(C)sc3c(N3CCOCC3)n1)C2 ZINC001164814275 720135184 /nfs/dbraw/zinc/13/51/84/720135184.db2.gz RRQOVMOMTJYAKV-NTKDMRAZSA-N 1 1 457.644 3.021 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(C(=O)NCC(C)C)ccc31)C2 ZINC001164811078 720148138 /nfs/dbraw/zinc/14/81/38/720148138.db2.gz LFUWZKSVLUYJHS-LVXARBLLSA-N 1 1 451.615 3.200 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164714042 720148406 /nfs/dbraw/zinc/14/84/06/720148406.db2.gz VNXIFSYWUGQANE-JOCHJYFZSA-N 1 1 464.614 3.052 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(/C=C/C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815990 720149140 /nfs/dbraw/zinc/14/91/40/720149140.db2.gz JOVIDIWPKLYGOY-GKLYVUGTSA-N 1 1 484.641 3.437 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(/C=C/C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815991 720149461 /nfs/dbraw/zinc/14/94/61/720149461.db2.gz JOVIDIWPKLYGOY-PFVHZJSWSA-N 1 1 484.641 3.437 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001164818044 720158872 /nfs/dbraw/zinc/15/88/72/720158872.db2.gz RIXBDKYHXNYXLP-OSPHWJPCSA-N 1 1 456.591 3.490 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@@]34CCN(C)C4=O)CC2)nc1 ZINC001164716485 720162629 /nfs/dbraw/zinc/16/26/29/720162629.db2.gz ZSVZJDXCRDDOBX-QDPGVEIFSA-N 1 1 496.700 3.451 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164815695 720169733 /nfs/dbraw/zinc/16/97/33/720169733.db2.gz IWTCCUCYMSJZPD-CCLHPLFOSA-N 1 1 497.709 3.197 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCOCC3)nc3sc(C)c(C)c31)C2 ZINC001164816290 720169757 /nfs/dbraw/zinc/16/97/57/720169757.db2.gz KUOKSLBEJPXCIH-HFZDXXHNSA-N 1 1 485.698 3.325 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001164817737 720189009 /nfs/dbraw/zinc/18/90/09/720189009.db2.gz QCQMEOOQVWJBQA-WNCULLNHSA-N 1 1 463.626 3.165 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(N(C)Cc3ccc(OC)cc3)n1)C2 ZINC001164819195 720192290 /nfs/dbraw/zinc/19/22/90/720192290.db2.gz WLPVANXCMFGYIA-ATIYNZHBSA-N 1 1 451.615 3.306 20 0 JGADMO CSc1nc(Cl)cc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813420 720212763 /nfs/dbraw/zinc/21/27/63/720212763.db2.gz PKEONXHCBGQGBB-UHFFFAOYSA-N 1 1 458.966 3.204 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)CCC2 ZINC001164813513 720217762 /nfs/dbraw/zinc/21/77/62/720217762.db2.gz NKVXQJBXYRYVES-UHFFFAOYSA-N 1 1 493.015 3.335 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ccn3Cc1cccc(F)c1)CCC2 ZINC001164812138 720225014 /nfs/dbraw/zinc/22/50/14/720225014.db2.gz FBNIPJHIPYUIPC-UHFFFAOYSA-N 1 1 475.572 3.426 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)C2)C1 ZINC001164718450 720232570 /nfs/dbraw/zinc/23/25/70/720232570.db2.gz MCIJGRPFIOQYNM-SANMLTNESA-N 1 1 481.547 3.240 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)C2)C1 ZINC001164718450 720232584 /nfs/dbraw/zinc/23/25/84/720232584.db2.gz MCIJGRPFIOQYNM-SANMLTNESA-N 1 1 481.547 3.240 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CCC2 ZINC001164816096 720247082 /nfs/dbraw/zinc/24/70/82/720247082.db2.gz GPYLPIKYVANJNN-UHFFFAOYSA-N 1 1 483.976 3.178 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(F)cc4)nc4ccccc43)C2)C1 ZINC001164722708 720285918 /nfs/dbraw/zinc/28/59/18/720285918.db2.gz QRBVAKQDRXXHMF-AREMUKBSSA-N 1 1 463.557 3.101 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(F)cc4)nc4ccccc43)C2)C1 ZINC001164722708 720285926 /nfs/dbraw/zinc/28/59/26/720285926.db2.gz QRBVAKQDRXXHMF-AREMUKBSSA-N 1 1 463.557 3.101 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4sc(C)c(-c5ccccc5)c43)C2)C1 ZINC001164724224 720288419 /nfs/dbraw/zinc/28/84/19/720288419.db2.gz ZUNUQOUMUAMTFO-RUZDIDTESA-N 1 1 465.623 3.332 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4sc(C)c(-c5ccccc5)c43)C2)C1 ZINC001164724224 720288429 /nfs/dbraw/zinc/28/84/29/720288429.db2.gz ZUNUQOUMUAMTFO-RUZDIDTESA-N 1 1 465.623 3.332 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2N1C1CCCC1 ZINC001164724285 720381787 /nfs/dbraw/zinc/38/17/87/720381787.db2.gz IYVPLWSURUDBRC-YPAWHYETSA-N 1 1 461.614 3.229 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4nnc(Cn5ccnc5)c4C3)c2c1C ZINC001164828794 720399228 /nfs/dbraw/zinc/39/92/28/720399228.db2.gz LIVHVAMWIKZQII-UHFFFAOYSA-N 1 1 463.615 3.151 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164732434 720422520 /nfs/dbraw/zinc/42/25/20/720422520.db2.gz NIIALYDNFZXJRG-XRXFAXGQSA-N 1 1 497.594 3.474 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164731498 720439873 /nfs/dbraw/zinc/43/98/73/720439873.db2.gz KYEOGKZQKODANC-SFTDATJTSA-N 1 1 464.639 3.389 20 0 JGADMO Cc1cc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(N3CCOCC3)c2s1 ZINC001164839682 720564201 /nfs/dbraw/zinc/56/42/01/720564201.db2.gz RJVNEWKKMBAGKO-RZUBCFFCSA-N 1 1 481.670 3.411 20 0 JGADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)C1=O ZINC001164838372 720591036 /nfs/dbraw/zinc/59/10/36/720591036.db2.gz KUDJZUARAAGSAN-YQVWRLOYSA-N 1 1 458.010 3.069 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)CC[C@@H]21 ZINC001164836226 720606854 /nfs/dbraw/zinc/60/68/54/720606854.db2.gz FJQPMVPOMXONFK-GIWBLDEGSA-N 1 1 460.582 3.489 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844150 720608260 /nfs/dbraw/zinc/60/82/60/720608260.db2.gz ZCICWALFWVJHLE-QLFBSQMISA-N 1 1 450.925 3.077 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164840756 720610928 /nfs/dbraw/zinc/61/09/28/720610928.db2.gz QPPRITFYDACQPO-NNXSRULWSA-N 1 1 474.675 3.123 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164840759 720612303 /nfs/dbraw/zinc/61/23/03/720612303.db2.gz QPPRITFYDACQPO-OQLXKQOESA-N 1 1 474.675 3.123 20 0 JGADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746247 720644404 /nfs/dbraw/zinc/64/44/04/720644404.db2.gz WJUNUQIXJQJCGM-RTWAWAEBSA-N 1 1 484.560 3.349 20 0 JGADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C(=O)OCC ZINC001164839181 720649562 /nfs/dbraw/zinc/64/95/62/720649562.db2.gz JCVYNYQNQVRDIV-QKNQBKEWSA-N 1 1 469.586 3.009 20 0 JGADMO CCOC(=O)c1nnc(SC)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840486 720676832 /nfs/dbraw/zinc/67/68/32/720676832.db2.gz FLFJNXXESXFUCN-GOSISDBHSA-N 1 1 457.600 3.030 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3scnc3c(N3CCOCC3)n1)CC2 ZINC001164842632 720677255 /nfs/dbraw/zinc/67/72/55/720677255.db2.gz LWWBMUODAOOTAV-FQEVSTJZSA-N 1 1 480.638 3.183 20 0 JGADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843863 720691619 /nfs/dbraw/zinc/69/16/19/720691619.db2.gz RMLFAQKHMBSYGN-IBGZPJMESA-N 1 1 458.990 3.496 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737316 720696917 /nfs/dbraw/zinc/69/69/17/720696917.db2.gz FQIPRBUGMZSPDM-ROUUACIJSA-N 1 1 468.920 3.258 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740374 720725101 /nfs/dbraw/zinc/72/51/01/720725101.db2.gz KJWYFAUNPRHNHZ-DLBZAZTESA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740374 720725105 /nfs/dbraw/zinc/72/51/05/720725105.db2.gz KJWYFAUNPRHNHZ-DLBZAZTESA-N 1 1 458.900 3.474 20 0 JGADMO c1cc(C2OCCCO2)ccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746885 720740504 /nfs/dbraw/zinc/74/05/04/720740504.db2.gz YVXOSQMETSTLHP-DHIUTWEWSA-N 1 1 459.550 3.316 20 0 JGADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745277 720757555 /nfs/dbraw/zinc/75/75/55/720757555.db2.gz UVCIWAMMSANEGT-HOTGVXAUSA-N 1 1 453.930 3.197 20 0 JGADMO c1ncc(O[C@H]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)cn1 ZINC001164738611 720761559 /nfs/dbraw/zinc/76/15/59/720761559.db2.gz GIVGRAXOVUMQNG-OALUTQOASA-N 1 1 491.665 3.298 20 0 JGADMO c1cnc(-c2nc3sc4c(c3c(N3CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C3)n2)CCCC4)cn1 ZINC001164750319 720790323 /nfs/dbraw/zinc/79/03/23/720790323.db2.gz VDVROHJLHXZNIY-DLBZAZTESA-N 1 1 486.605 3.159 20 0 JGADMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164748720 720800209 /nfs/dbraw/zinc/80/02/09/720800209.db2.gz RFBPSQHIYVDWAC-LEWJYISDSA-N 1 1 450.974 3.470 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@@H]32)n1 ZINC001164844059 720803311 /nfs/dbraw/zinc/80/33/11/720803311.db2.gz ALHKIYUOBNYJHH-FHWLQOOXSA-N 1 1 457.644 3.270 20 0 JGADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748694 720803529 /nfs/dbraw/zinc/80/35/29/720803529.db2.gz RATNGUCPXJFXFG-CVEARBPZSA-N 1 1 454.918 3.063 20 0 JGADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164750528 720804531 /nfs/dbraw/zinc/80/45/31/720804531.db2.gz VVWPEXXAWLJRAQ-QZTJIDSGSA-N 1 1 486.967 3.386 20 0 JGADMO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164746120 720809370 /nfs/dbraw/zinc/80/93/70/720809370.db2.gz LUQWBGYJMFQGIP-XGHQBKJUSA-N 1 1 453.978 3.263 20 0 JGADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742418 720812284 /nfs/dbraw/zinc/81/22/84/720812284.db2.gz CYGSETXYNXXADN-NLWGTHIKSA-N 1 1 458.994 3.191 20 0 JGADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745480 720813236 /nfs/dbraw/zinc/81/32/36/720813236.db2.gz KPEOFWRTQXXSRB-BZUAXINKSA-N 1 1 469.993 3.368 20 0 JGADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749252 720813933 /nfs/dbraw/zinc/81/39/33/720813933.db2.gz SOBMLDBQESAOFY-SOUVJXGZSA-N 1 1 458.344 3.299 20 0 JGADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745105 720821519 /nfs/dbraw/zinc/82/15/19/720821519.db2.gz WFJOLEOVCNFSGR-IPMKNSEASA-N 1 1 458.994 3.191 20 0 JGADMO O=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1)N1CCCO1 ZINC001164846828 720821890 /nfs/dbraw/zinc/82/18/90/720821890.db2.gz HDVUKZSWXNXGHU-AQNXPRMDSA-N 1 1 497.665 3.456 20 0 JGADMO Clc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740824 720822267 /nfs/dbraw/zinc/82/22/67/720822267.db2.gz LMDSFBDMCBNSSF-SLFFLAALSA-N 1 1 450.978 3.163 20 0 JGADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739772 720825235 /nfs/dbraw/zinc/82/52/35/720825235.db2.gz IKJZAPIYOVXLOC-NLJOTIRTSA-N 1 1 484.652 3.006 20 0 JGADMO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164741710 720832394 /nfs/dbraw/zinc/83/23/94/720832394.db2.gz OCEHFKKRAVHFLD-YQVWRLOYSA-N 1 1 453.978 3.263 20 0 JGADMO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164746561 720833024 /nfs/dbraw/zinc/83/30/24/720833024.db2.gz OLOPAYCRLOIJCF-ZIFCJYIRSA-N 1 1 453.978 3.263 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739946 720833255 /nfs/dbraw/zinc/83/32/55/720833255.db2.gz BBRWYTOVJHZRHX-PWRODBHTSA-N 1 1 472.037 3.188 20 0 JGADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739985 720833561 /nfs/dbraw/zinc/83/35/61/720833561.db2.gz BHOPMMYODYDFCH-XUVXKRRUSA-N 1 1 472.037 3.234 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751098 720833933 /nfs/dbraw/zinc/83/39/33/720833933.db2.gz YMTVUADPQXOIQW-FGTMMUONSA-N 1 1 480.947 3.037 20 0 JGADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164745174 720834342 /nfs/dbraw/zinc/83/43/42/720834342.db2.gz MHXHUQKXOUJFMS-BRWVUGGUSA-N 1 1 452.937 3.259 20 0 JGADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164744534 720837719 /nfs/dbraw/zinc/83/77/19/720837719.db2.gz KNZYVXYTJIPUJY-ILZDJORESA-N 1 1 484.967 3.427 20 0 JGADMO CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164746665 720841575 /nfs/dbraw/zinc/84/15/75/720841575.db2.gz PXXZJIFWSNOGCT-GZGNHOFSSA-N 1 1 458.614 3.181 20 0 JGADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742502 720842548 /nfs/dbraw/zinc/84/25/48/720842548.db2.gz HCKIXULFETXDSH-HHXXYDBFSA-N 1 1 474.947 3.194 20 0 JGADMO O=C(c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CCc2ccccc21 ZINC001164751953 720846444 /nfs/dbraw/zinc/84/64/44/720846444.db2.gz ZXBXEAVIPXDRTB-JQYIIUTOSA-N 1 1 483.620 3.255 20 0 JGADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164753094 720854570 /nfs/dbraw/zinc/85/45/70/720854570.db2.gz WNVYRZBQCPWFGX-DNVJHFABSA-N 1 1 472.597 3.008 20 0 JGADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164753096 720854998 /nfs/dbraw/zinc/85/49/98/720854998.db2.gz WNVYRZBQCPWFGX-XPWALMASSA-N 1 1 472.597 3.008 20 0 JGADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164751112 720855230 /nfs/dbraw/zinc/85/52/30/720855230.db2.gz QBMMKGBNAOVIAW-NJDAHSKKSA-N 1 1 465.005 3.471 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)CC(C)C)nc3C2)nc1 ZINC001164751606 720866871 /nfs/dbraw/zinc/86/68/71/720866871.db2.gz LNKVFTREXXIIDR-JOCHJYFZSA-N 1 1 466.630 3.258 20 0 JGADMO COc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC(C)C ZINC001164755451 720867540 /nfs/dbraw/zinc/86/75/40/720867540.db2.gz XEGNVUMCEAXRGL-ATIYNZHBSA-N 1 1 466.630 3.456 20 0 JGADMO O=C(c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CCCC1 ZINC001164754322 720868839 /nfs/dbraw/zinc/86/88/39/720868839.db2.gz REMKPRDUGPMCEE-RBJSKKJNSA-N 1 1 475.637 3.468 20 0 JGADMO CN(C)c1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748399 720869948 /nfs/dbraw/zinc/86/99/48/720869948.db2.gz DQFWKCBZXFBIKG-GBXCKJPGSA-N 1 1 457.022 3.346 20 0 JGADMO COC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755212 720871557 /nfs/dbraw/zinc/87/15/57/720871557.db2.gz VACYDMPXXGOEFZ-BVAGGSTKSA-N 1 1 450.583 3.327 20 0 JGADMO COC(=O)c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750111 720871722 /nfs/dbraw/zinc/87/17/22/720871722.db2.gz ITQUIVLQGIIJPI-DVECYGJZSA-N 1 1 471.989 3.067 20 0 JGADMO COC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755216 720871737 /nfs/dbraw/zinc/87/17/37/720871737.db2.gz VACYDMPXXGOEFZ-OZXSUGGESA-N 1 1 450.583 3.327 20 0 JGADMO COC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755214 720871776 /nfs/dbraw/zinc/87/17/76/720871776.db2.gz VACYDMPXXGOEFZ-JYFHCDHNSA-N 1 1 450.583 3.327 20 0 JGADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1 ZINC001164859334 720876407 /nfs/dbraw/zinc/87/64/07/720876407.db2.gz MTILSOOOFMICNJ-UXHICEINSA-N 1 1 461.676 3.323 20 0 JGADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754014 720879209 /nfs/dbraw/zinc/87/92/09/720879209.db2.gz QTQUJWFIUYWMSX-IDISGSTGSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754014 720879212 /nfs/dbraw/zinc/87/92/12/720879212.db2.gz QTQUJWFIUYWMSX-IDISGSTGSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754014 720879214 /nfs/dbraw/zinc/87/92/14/720879214.db2.gz QTQUJWFIUYWMSX-IDISGSTGSA-N 1 1 490.608 3.285 20 0 JGADMO CC(C)OC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164753975 720879271 /nfs/dbraw/zinc/87/92/71/720879271.db2.gz QPBHAOKTMHUIGU-GJZUVCINSA-N 1 1 465.598 3.192 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]2C1 ZINC001164857519 720881867 /nfs/dbraw/zinc/88/18/67/720881867.db2.gz JUKRFQMDVSXTCS-ZNLUXHQJSA-N 1 1 450.942 3.098 20 0 JGADMO COC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1F ZINC001164758844 720882192 /nfs/dbraw/zinc/88/21/92/720882192.db2.gz ZVWUKAJNBCQTDD-CJFMBICVSA-N 1 1 454.546 3.157 20 0 JGADMO Cn1c(=O)ccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164754425 720891295 /nfs/dbraw/zinc/89/12/95/720891295.db2.gz IUZXVWCTLPGKRR-HOFKKMOUSA-N 1 1 459.594 3.084 20 0 JGADMO O=C1NCc2c1cc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758503 720896463 /nfs/dbraw/zinc/89/64/63/720896463.db2.gz YTALFHNOYVJVRD-CLOONOSVSA-N 1 1 468.001 3.129 20 0 JGADMO CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(N2CCOCC2)n1 ZINC001164755697 720898183 /nfs/dbraw/zinc/89/81/83/720898183.db2.gz MQOFTGZHEAIJST-UFHPHHKVSA-N 1 1 492.668 3.026 20 0 JGADMO COc1cnc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752583 720903922 /nfs/dbraw/zinc/90/39/22/720903922.db2.gz FEDOJRZOQAEYMI-LVXARBLLSA-N 1 1 460.582 3.184 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1C ZINC001164754205 720906926 /nfs/dbraw/zinc/90/69/26/720906926.db2.gz UHLZNCYPNAGRPH-NBGIEHNGSA-N 1 1 482.032 3.475 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1C ZINC001164754204 720907513 /nfs/dbraw/zinc/90/75/13/720907513.db2.gz UHLZNCYPNAGRPH-CPJSRVTESA-N 1 1 482.032 3.475 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1C ZINC001164754203 720907620 /nfs/dbraw/zinc/90/76/20/720907620.db2.gz UHLZNCYPNAGRPH-CJFMBICVSA-N 1 1 482.032 3.475 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4CO[C@H](CNC(=O)c5ccno5)[C@@H]4C3)c2c1C ZINC001164855033 720912531 /nfs/dbraw/zinc/91/25/31/720912531.db2.gz HJXKQXZCAABQMI-QWFCFKBJSA-N 1 1 496.637 3.163 20 0 JGADMO c1nc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1C1CC1 ZINC001164755192 720914248 /nfs/dbraw/zinc/91/42/48/720914248.db2.gz ZPFADBNCJLJFFW-LVXARBLLSA-N 1 1 459.598 3.311 20 0 JGADMO O=c1ccccn1Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164749140 720915062 /nfs/dbraw/zinc/91/50/62/720915062.db2.gz HXDKDDOQNJGZBH-UHSQPCAPSA-N 1 1 485.632 3.442 20 0 JGADMO NC(=O)c1cc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752127 720918000 /nfs/dbraw/zinc/91/80/00/720918000.db2.gz NEPXEYHLXYMHTA-FIPFOOKPSA-N 1 1 471.605 3.484 20 0 JGADMO NC(=O)c1cc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752138 720919226 /nfs/dbraw/zinc/91/92/26/720919226.db2.gz NEPXEYHLXYMHTA-QDPGVEIFSA-N 1 1 471.605 3.484 20 0 JGADMO CCS(=O)(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755201 720940447 /nfs/dbraw/zinc/94/04/47/720940447.db2.gz ZTFKGPSHDUSYIL-RCZVLFRGSA-N 1 1 470.639 3.025 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856263 720988018 /nfs/dbraw/zinc/98/80/18/720988018.db2.gz AJKBVFJPPVPWOL-INIZCTEOSA-N 1 1 456.591 3.471 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)[C@H]2C ZINC001164864138 720994885 /nfs/dbraw/zinc/99/48/85/720994885.db2.gz XSVWCHSBOQFCIO-SFHVURJKSA-N 1 1 479.610 3.286 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4CO[C@H](CNC(=O)N(C)C)[C@@H]4C3)c2c1C ZINC001164758554 720996971 /nfs/dbraw/zinc/99/69/71/720996971.db2.gz WDNZMVUHFMHXJP-GUDVDZBRSA-N 1 1 472.659 3.016 20 0 JGADMO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1=O ZINC001164862944 721027424 /nfs/dbraw/zinc/02/74/24/721027424.db2.gz SAIPWFZWCBLWOK-SDHSZQHLSA-N 1 1 489.664 3.382 20 0 JGADMO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]2C1=O ZINC001164862944 721027429 /nfs/dbraw/zinc/02/74/29/721027429.db2.gz SAIPWFZWCBLWOK-SDHSZQHLSA-N 1 1 489.664 3.382 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4ncc(Cn5cccn5)n4CC3)c2c1C ZINC001164861966 721033131 /nfs/dbraw/zinc/03/31/31/721033131.db2.gz IYLAIHMNNKNZNS-UHFFFAOYSA-N 1 1 462.627 3.408 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164864299 721033684 /nfs/dbraw/zinc/03/36/84/721033684.db2.gz YKBBOBHXDKTGQW-UHFFFAOYSA-N 1 1 456.888 3.241 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cnn(C)c2)n1 ZINC001164767668 721038502 /nfs/dbraw/zinc/03/85/02/721038502.db2.gz SGYZYTJXLDUDMN-RBUKOAKNSA-N 1 1 467.643 3.377 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164866087 721043317 /nfs/dbraw/zinc/04/33/17/721043317.db2.gz CNFLHMSIYKROFA-ROUUACIJSA-N 1 1 453.568 3.051 20 0 JGADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164870456 721065758 /nfs/dbraw/zinc/06/57/58/721065758.db2.gz VYBXCNRYIFJSQC-CHWSQXEVSA-N 1 1 466.760 3.255 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164867977 721074050 /nfs/dbraw/zinc/07/40/50/721074050.db2.gz LOAMFIDFCFDLFB-SJORKVTESA-N 1 1 455.946 3.175 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865728 721078100 /nfs/dbraw/zinc/07/81/00/721078100.db2.gz OVYFJHQIHKWKBT-ROUUACIJSA-N 1 1 493.942 3.116 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866419 721082466 /nfs/dbraw/zinc/08/24/66/721082466.db2.gz TZWNZQDOWWZURN-ZWKOTPCHSA-N 1 1 467.957 3.335 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164865545 721093545 /nfs/dbraw/zinc/09/35/45/721093545.db2.gz MNZLCPMFBJFKGE-SJORKVTESA-N 1 1 455.946 3.175 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164773649 721100426 /nfs/dbraw/zinc/10/04/26/721100426.db2.gz XWZBEMDHUVKGJT-WOJBJXKFSA-N 1 1 462.989 3.220 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164765317 721100508 /nfs/dbraw/zinc/10/05/08/721100508.db2.gz IXJRKAOZXVTNIZ-RTWAWAEBSA-N 1 1 464.017 3.338 20 0 JGADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864685 721108431 /nfs/dbraw/zinc/10/84/31/721108431.db2.gz GOXWOWRLFRVPMZ-HKUYNNGSSA-N 1 1 456.909 3.331 20 0 JGADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164866356 721112463 /nfs/dbraw/zinc/11/24/63/721112463.db2.gz SOJUNAUDRZQXHO-MJGOQNOKSA-N 1 1 456.909 3.331 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866929 721120276 /nfs/dbraw/zinc/12/02/76/721120276.db2.gz VFOYCEVGTFAGGC-WOJBJXKFSA-N 1 1 483.613 3.232 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766389 721123712 /nfs/dbraw/zinc/12/37/12/721123712.db2.gz KXUQKBZFSGAYCM-IAGOWNOFSA-N 1 1 454.962 3.152 20 0 JGADMO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@H+]3C2)c1 ZINC001164869772 721160284 /nfs/dbraw/zinc/16/02/84/721160284.db2.gz BIEZVDMSTUVEAV-VXKWHMMOSA-N 1 1 459.550 3.180 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)NCCSCc4ccco4)C[C@@H]3C2)cn1 ZINC001164764271 721162149 /nfs/dbraw/zinc/16/21/49/721162149.db2.gz HNVHIENNECVAKV-RTWAWAEBSA-N 1 1 480.638 3.030 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164773383 721187782 /nfs/dbraw/zinc/18/77/82/721187782.db2.gz WWIYBDLOCQXSBD-QZTJIDSGSA-N 1 1 454.962 3.152 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869700 721188110 /nfs/dbraw/zinc/18/81/10/721188110.db2.gz RRIPAIXXUSLPNN-MSOLQXFVSA-N 1 1 467.904 3.247 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869702 721189338 /nfs/dbraw/zinc/18/93/38/721189338.db2.gz RRIPAIXXUSLPNN-ROUUACIJSA-N 1 1 467.904 3.247 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C[C@H]3C2)cn1 ZINC001164763260 721189792 /nfs/dbraw/zinc/18/97/92/721189792.db2.gz DZCJJHSPWJVBEA-ZWKOTPCHSA-N 1 1 459.932 3.429 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164773362 721195305 /nfs/dbraw/zinc/19/53/05/721195305.db2.gz WPVSESIEEGEPIL-MSOLQXFVSA-N 1 1 454.600 3.177 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C[C@@H]3C2)cn1 ZINC001164761374 721243383 /nfs/dbraw/zinc/24/33/83/721243383.db2.gz HXGZTWTZEIQJPB-CVEARBPZSA-N 1 1 454.909 3.064 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C[C@H]3C2)cn1 ZINC001164767274 721249753 /nfs/dbraw/zinc/24/97/53/721249753.db2.gz WONKQJWGMBTNNI-DLBZAZTESA-N 1 1 450.418 3.466 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)cn1 ZINC001164764409 721264634 /nfs/dbraw/zinc/26/46/34/721264634.db2.gz GNAIANXWKXHITF-VQTJNVASSA-N 1 1 491.665 3.440 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]32)cn1 ZINC001164766745 721264709 /nfs/dbraw/zinc/26/47/09/721264709.db2.gz OMRIHTKENCEGRK-OALUTQOASA-N 1 1 477.638 3.050 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC2)C1 ZINC001164868585 721271679 /nfs/dbraw/zinc/27/16/79/721271679.db2.gz DDUYKLCLEIKMRU-UHFFFAOYSA-N 1 1 466.960 3.440 20 0 JGADMO CSc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1Cl ZINC001164875552 721278008 /nfs/dbraw/zinc/27/80/08/721278008.db2.gz WYPRLFWPKMLGMS-UHFFFAOYSA-N 1 1 462.994 3.009 20 0 JGADMO CCc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164878623 721292635 /nfs/dbraw/zinc/29/26/35/721292635.db2.gz RONUGFONAQHCEB-UHFFFAOYSA-N 1 1 488.032 3.492 20 0 JGADMO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164876636 721296339 /nfs/dbraw/zinc/29/63/39/721296339.db2.gz KOFJTOLGAYHHIL-PXDATVDWSA-N 1 1 489.645 3.464 20 0 JGADMO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164876636 721296343 /nfs/dbraw/zinc/29/63/43/721296343.db2.gz KOFJTOLGAYHHIL-PXDATVDWSA-N 1 1 489.645 3.464 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)C2)cc1 ZINC001164881377 721311950 /nfs/dbraw/zinc/31/19/50/721311950.db2.gz VTSRMSSMNNEHOG-GVXSCFBNSA-N 1 1 457.578 3.493 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)C2)cc1 ZINC001164881377 721311956 /nfs/dbraw/zinc/31/19/56/721311956.db2.gz VTSRMSSMNNEHOG-GVXSCFBNSA-N 1 1 457.578 3.493 20 0 JGADMO Cc1ccc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)nn1 ZINC001164776192 721312372 /nfs/dbraw/zinc/31/23/72/721312372.db2.gz MEQFMAFCVPXHEG-VQTJNVASSA-N 1 1 491.665 3.358 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCCN(c4ccc(C)nn4)[C@H]3C2)n1 ZINC001164777708 721312736 /nfs/dbraw/zinc/31/27/36/721312736.db2.gz UPPUUMXEVFOULU-RBUKOAKNSA-N 1 1 467.643 3.342 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C2)C1 ZINC001164778581 721339381 /nfs/dbraw/zinc/33/93/81/721339381.db2.gz NJKLWYGQBLKWFU-NRFANRHFSA-N 1 1 484.979 3.465 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C2)C1 ZINC001164778581 721339386 /nfs/dbraw/zinc/33/93/86/721339386.db2.gz NJKLWYGQBLKWFU-NRFANRHFSA-N 1 1 484.979 3.465 20 0 JGADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164776267 721352603 /nfs/dbraw/zinc/35/26/03/721352603.db2.gz ANOJHLNFIAGGBO-HSZRJFAPSA-N 1 1 477.993 3.092 20 0 JGADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164776267 721352605 /nfs/dbraw/zinc/35/26/05/721352605.db2.gz ANOJHLNFIAGGBO-HSZRJFAPSA-N 1 1 477.993 3.092 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C(=O)OC(C)(C)C)n3)C2)C1 ZINC001164780311 721354304 /nfs/dbraw/zinc/35/43/04/721354304.db2.gz FZEHSNDZCKLZMF-DEOSSOPVSA-N 1 1 457.575 3.156 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C(=O)OC(C)(C)C)n3)C2)C1 ZINC001164780311 721354309 /nfs/dbraw/zinc/35/43/09/721354309.db2.gz FZEHSNDZCKLZMF-DEOSSOPVSA-N 1 1 457.575 3.156 20 0 JGADMO CCOC(=O)/C=C\c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780810 721358042 /nfs/dbraw/zinc/35/80/42/721358042.db2.gz HTJXWJLDPSHIJG-NAFJXCGOSA-N 1 1 454.571 3.382 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)N4CCCC4)ccn3)C2)C1 ZINC001164786129 721359301 /nfs/dbraw/zinc/35/93/01/721359301.db2.gz WLKQYRNRSDGWBE-RUZDIDTESA-N 1 1 453.587 3.041 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)N4CCCC4)ccn3)C2)C1 ZINC001164786129 721359304 /nfs/dbraw/zinc/35/93/04/721359304.db2.gz WLKQYRNRSDGWBE-RUZDIDTESA-N 1 1 453.587 3.041 20 0 JGADMO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164780665 721361584 /nfs/dbraw/zinc/36/15/84/721361584.db2.gz GHPPQYPMJXTTLO-AREMUKBSSA-N 1 1 469.630 3.280 20 0 JGADMO COC(=O)c1c(Cl)cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1OC ZINC001164785292 721363119 /nfs/dbraw/zinc/36/31/19/721363119.db2.gz TXMWNDSJYXADTA-QHCPKHFHSA-N 1 1 478.977 3.254 20 0 JGADMO COC(=O)c1c(Cl)cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1OC ZINC001164785292 721363124 /nfs/dbraw/zinc/36/31/24/721363124.db2.gz TXMWNDSJYXADTA-QHCPKHFHSA-N 1 1 478.977 3.254 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780086 721363393 /nfs/dbraw/zinc/36/33/93/721363393.db2.gz DDIFTFGUHQXMTD-JOCHJYFZSA-N 1 1 463.966 3.031 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780086 721363397 /nfs/dbraw/zinc/36/33/97/721363397.db2.gz DDIFTFGUHQXMTD-JOCHJYFZSA-N 1 1 463.966 3.031 20 0 JGADMO O=C1CO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2N1c1cccc(F)c1 ZINC001164881868 721363955 /nfs/dbraw/zinc/36/39/55/721363955.db2.gz GOFGHZUWPJYVNS-DQEYMECFSA-N 1 1 458.537 3.400 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N4CCC[C@@H](C)C4)ncn3)C2)C1 ZINC001164787019 721370901 /nfs/dbraw/zinc/37/09/01/721370901.db2.gz XHQDWPKNQHUGJI-KBMIEXCESA-N 1 1 454.619 3.437 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N4CCC[C@@H](C)C4)ncn3)C2)C1 ZINC001164787019 721370902 /nfs/dbraw/zinc/37/09/02/721370902.db2.gz XHQDWPKNQHUGJI-KBMIEXCESA-N 1 1 454.619 3.437 20 0 JGADMO CS(=O)(=O)N1CCCC[C@]12CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164884115 721375268 /nfs/dbraw/zinc/37/52/68/721375268.db2.gz BWWHHUBPZQCWGU-RUZDIDTESA-N 1 1 454.640 3.424 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C2)C1 ZINC001164781291 721375491 /nfs/dbraw/zinc/37/54/91/721375491.db2.gz IWAQSSPQCQEABK-JPYJTQIMSA-N 1 1 477.993 3.022 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C2)C1 ZINC001164781291 721375501 /nfs/dbraw/zinc/37/55/01/721375501.db2.gz IWAQSSPQCQEABK-JPYJTQIMSA-N 1 1 477.993 3.022 20 0 JGADMO COc1nnc(Cl)cc1C(F)(F)N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779899 721375661 /nfs/dbraw/zinc/37/56/61/721375661.db2.gz DKMULBOCISSAPZ-FQEVSTJZSA-N 1 1 471.936 3.407 20 0 JGADMO COc1nnc(Cl)cc1C(F)(F)N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779899 721375665 /nfs/dbraw/zinc/37/56/65/721375665.db2.gz DKMULBOCISSAPZ-FQEVSTJZSA-N 1 1 471.936 3.407 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@H]21)c1cccnc1 ZINC001164779897 721380291 /nfs/dbraw/zinc/38/02/91/721380291.db2.gz DJPDIAAQSNPCCP-SYYKKAFVSA-N 1 1 455.990 3.140 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C3)O2)CC1 ZINC001164884356 721384158 /nfs/dbraw/zinc/38/41/58/721384158.db2.gz AJRJYRLSFDHSSD-RDTXWAMCSA-N 1 1 450.361 3.094 20 0 JGADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889339 721385600 /nfs/dbraw/zinc/38/56/00/721385600.db2.gz LSFAXKPFGXRDEC-DNVCBOLYSA-N 1 1 462.010 3.162 20 0 JGADMO COCc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccccc2)n1 ZINC001164890926 721385811 /nfs/dbraw/zinc/38/58/11/721385811.db2.gz PICOSRBYXZXMQP-ZEQKJWHPSA-N 1 1 451.615 3.055 20 0 JGADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889337 721386047 /nfs/dbraw/zinc/38/60/47/721386047.db2.gz LSFAXKPFGXRDEC-BEFAXECRSA-N 1 1 462.010 3.162 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164892193 721395768 /nfs/dbraw/zinc/39/57/68/721395768.db2.gz SBORHFFKKCGHLU-KBXCAEBGSA-N 1 1 450.361 3.094 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C3)O2)CC1 ZINC001164887957 721396214 /nfs/dbraw/zinc/39/62/14/721396214.db2.gz IZMFMFAFSMKQTH-RBZFPXEDSA-N 1 1 486.835 3.145 20 0 JGADMO CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2ccccc21 ZINC001164887166 721409801 /nfs/dbraw/zinc/40/98/01/721409801.db2.gz LHASBZUCSYKWDN-IBVKSMDESA-N 1 1 452.599 3.177 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Oc5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164883732 721421279 /nfs/dbraw/zinc/42/12/79/721421279.db2.gz BXTBBBKBQBQXRN-CVDCTZTESA-N 1 1 476.984 3.222 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164887255 721422587 /nfs/dbraw/zinc/42/25/87/721422587.db2.gz LQGZKBLEDDSEAN-XXBNENTESA-N 1 1 476.984 3.222 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164899504 721426079 /nfs/dbraw/zinc/42/60/79/721426079.db2.gz YSGCOGJCJMDBKE-RDGATRHJSA-N 1 1 456.034 3.486 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164891607 721428544 /nfs/dbraw/zinc/42/85/44/721428544.db2.gz HJFUKKPTUOUZFE-BEFAXECRSA-N 1 1 464.388 3.180 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164892192 721430131 /nfs/dbraw/zinc/43/01/31/721430131.db2.gz HRJPYIFUOWBPQJ-VGSWGCGISA-N 1 1 486.991 3.222 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccn5)nc5ccccc54)C3)O2)CC1 ZINC001164893154 721434307 /nfs/dbraw/zinc/43/43/07/721434307.db2.gz JKOBSZFMNMMPKB-IDISGSTGSA-N 1 1 458.610 3.457 20 0 JGADMO COc1ccc(Cc2c(C)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2C)cc1 ZINC001164893722 721446386 /nfs/dbraw/zinc/44/63/86/721446386.db2.gz KDRLEORRQUYQHU-LSYYVWMOSA-N 1 1 479.669 3.458 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C3)O2)CC1 ZINC001164889141 721447153 /nfs/dbraw/zinc/44/71/53/721447153.db2.gz NWBPIMQGECJUME-UTKZUKDTSA-N 1 1 487.979 3.137 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cncc(OCc5cccc(Cl)c5)n4)C3)O2)CC1 ZINC001164884950 721447188 /nfs/dbraw/zinc/44/71/88/721447188.db2.gz CZNFYEPKMYBXEK-WIOPSUGQSA-N 1 1 472.033 3.474 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164786605 721451302 /nfs/dbraw/zinc/45/13/02/721451302.db2.gz NFOHTSJZCUVHRH-QGZVFWFLSA-N 1 1 486.991 3.113 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1C(=O)OC)CC2 ZINC001164789299 721451423 /nfs/dbraw/zinc/45/14/23/721451423.db2.gz UOESIDQAXBXMIF-IBGZPJMESA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164787738 721451630 /nfs/dbraw/zinc/45/16/30/721451630.db2.gz QAFCOMRGETVBLR-QHCPKHFHSA-N 1 1 470.658 3.442 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(Cl)(Cl)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164888988 721452855 /nfs/dbraw/zinc/45/28/55/721452855.db2.gz MWLUVHHTAKIBKP-MJGOQNOKSA-N 1 1 463.837 3.464 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164787597 721453110 /nfs/dbraw/zinc/45/31/10/721453110.db2.gz OSQJVLLMDMZSKR-HXUWFJFHSA-N 1 1 468.598 3.135 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3cc(OC)c(OC)cc3n1)CC2 ZINC001164787455 721459159 /nfs/dbraw/zinc/45/91/59/721459159.db2.gz QNUPQJAETANTDJ-FQEVSTJZSA-N 1 1 470.614 3.381 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3cnccc3cc1C(=O)OC)CC2 ZINC001164788483 721461388 /nfs/dbraw/zinc/46/13/88/721461388.db2.gz SWGJRRXTJJHYJQ-NRFANRHFSA-N 1 1 468.598 3.150 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(OC)cc(OC)c31)CC2 ZINC001164782738 721461450 /nfs/dbraw/zinc/46/14/50/721461450.db2.gz BGBDZOGQSOKBPU-HXUWFJFHSA-N 1 1 470.614 3.381 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164787566 721461772 /nfs/dbraw/zinc/46/17/72/721461772.db2.gz RLKPECNEIXYEQL-HXUWFJFHSA-N 1 1 460.619 3.166 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164791237 721468664 /nfs/dbraw/zinc/46/86/64/721468664.db2.gz VPDXHYTZLFTQHQ-OAQYLSRUSA-N 1 1 452.599 3.068 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)nc1 ZINC001164894631 721471448 /nfs/dbraw/zinc/47/14/48/721471448.db2.gz PKUFRONAXWFSIX-OAQYLSRUSA-N 1 1 476.581 3.119 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)CC2 ZINC001164790677 721473548 /nfs/dbraw/zinc/47/35/48/721473548.db2.gz UNTMGSZDHVFZPG-MRXNPFEDSA-N 1 1 487.428 3.304 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164786438 721473695 /nfs/dbraw/zinc/47/36/95/721473695.db2.gz BFUUWOFNQPWFID-PKOBYXMFSA-N 1 1 481.037 3.140 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164786433 721474000 /nfs/dbraw/zinc/47/40/00/721474000.db2.gz BFUUWOFNQPWFID-MJGOQNOKSA-N 1 1 481.037 3.140 20 0 JGADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164788071 721474139 /nfs/dbraw/zinc/47/41/39/721474139.db2.gz IBXXLNVANJTPOC-IBGZPJMESA-N 1 1 480.053 3.004 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c21 ZINC001164795347 721526612 /nfs/dbraw/zinc/52/66/12/721526612.db2.gz NGJAIFMYHNTUIS-ZFGGDYGUSA-N 1 1 486.576 3.322 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c21 ZINC001164795347 721526615 /nfs/dbraw/zinc/52/66/15/721526615.db2.gz NGJAIFMYHNTUIS-ZFGGDYGUSA-N 1 1 486.576 3.322 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)NCc2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164799903 721532948 /nfs/dbraw/zinc/53/29/48/721532948.db2.gz BRUIFAXOZLSSHN-UBFVSLLYSA-N 1 1 457.578 3.275 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)NCc2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164799903 721532955 /nfs/dbraw/zinc/53/29/55/721532955.db2.gz BRUIFAXOZLSSHN-UBFVSLLYSA-N 1 1 457.578 3.275 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164904078 721533438 /nfs/dbraw/zinc/53/34/38/721533438.db2.gz FDPVJKXLCTUVKT-MDNUFGMLSA-N 1 1 494.615 3.462 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC[N@@H+]3C2)c1 ZINC001164908169 721540115 /nfs/dbraw/zinc/54/01/15/721540115.db2.gz PITCMHITCCKRLA-NVXWUHKLSA-N 1 1 468.360 3.101 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC[N@H+]3C2)c1 ZINC001164908169 721540118 /nfs/dbraw/zinc/54/01/18/721540118.db2.gz PITCMHITCCKRLA-NVXWUHKLSA-N 1 1 468.360 3.101 20 0 JGADMO Cc1cc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164904115 721542308 /nfs/dbraw/zinc/54/23/08/721542308.db2.gz FGCZQZVYYCWOLU-ICSRJNTNSA-N 1 1 469.586 3.317 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164805252 721550984 /nfs/dbraw/zinc/55/09/84/721550984.db2.gz LJZHOJZERBHIEJ-FHWLQOOXSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164805252 721550988 /nfs/dbraw/zinc/55/09/88/721550988.db2.gz LJZHOJZERBHIEJ-FHWLQOOXSA-N 1 1 466.916 3.330 20 0 JGADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164911563 721551184 /nfs/dbraw/zinc/55/11/84/721551184.db2.gz XJPOSWYGVKNYJH-UNMCSNQZSA-N 1 1 493.564 3.149 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805628 721553320 /nfs/dbraw/zinc/55/33/20/721553320.db2.gz OAQJPJZXRSVIRW-XYJFISCASA-N 1 1 478.018 3.292 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805628 721553322 /nfs/dbraw/zinc/55/33/22/721553322.db2.gz OAQJPJZXRSVIRW-XYJFISCASA-N 1 1 478.018 3.292 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801435 721555943 /nfs/dbraw/zinc/55/59/43/721555943.db2.gz GPSZIEKKRFVSSM-ACRUOGEOSA-N 1 1 467.957 3.333 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801435 721555947 /nfs/dbraw/zinc/55/59/47/721555947.db2.gz GPSZIEKKRFVSSM-ACRUOGEOSA-N 1 1 467.957 3.333 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907239 721555948 /nfs/dbraw/zinc/55/59/48/721555948.db2.gz MYLRPCPDDRUIQR-AZUAARDMSA-N 1 1 462.591 3.030 20 0 JGADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)CC[N@H+]3C2)c1 ZINC001164911036 721556524 /nfs/dbraw/zinc/55/65/24/721556524.db2.gz YEDTXYJTPNFEAG-GMAHTHKFSA-N 1 1 492.574 3.423 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)CC[N@H+]3C2)c1 ZINC001164911039 721557110 /nfs/dbraw/zinc/55/71/10/721557110.db2.gz YEDTXYJTPNFEAG-JTHBVZDNSA-N 1 1 492.574 3.423 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164803954 721560840 /nfs/dbraw/zinc/56/08/40/721560840.db2.gz JZIBOLNRDKYNLE-UWVAXJGDSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164803954 721560845 /nfs/dbraw/zinc/56/08/45/721560845.db2.gz JZIBOLNRDKYNLE-UWVAXJGDSA-N 1 1 466.916 3.330 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807257 721560852 /nfs/dbraw/zinc/56/08/52/721560852.db2.gz SAMIQAYITQMSRO-MPGHIAIKSA-N 1 1 466.369 3.223 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807257 721560856 /nfs/dbraw/zinc/56/08/56/721560856.db2.gz SAMIQAYITQMSRO-MPGHIAIKSA-N 1 1 466.369 3.223 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164909158 721561571 /nfs/dbraw/zinc/56/15/71/721561571.db2.gz SCWSFAZWFJDXMM-UKILVPOCSA-N 1 1 475.568 3.461 20 0 JGADMO COC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)[nH]c(Cl)cc-2n1 ZINC001164801726 721567833 /nfs/dbraw/zinc/56/78/33/721567833.db2.gz HCIZQEHOXHTYNX-ZJOUEHCJSA-N 1 1 455.946 3.266 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806756 721569153 /nfs/dbraw/zinc/56/91/53/721569153.db2.gz RQPXQGSSQMIJFZ-FKBYEOEOSA-N 1 1 481.597 3.116 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806756 721569156 /nfs/dbraw/zinc/56/91/56/721569156.db2.gz RQPXQGSSQMIJFZ-FKBYEOEOSA-N 1 1 481.597 3.116 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)[C@H]2CCCO[C@@H]12 ZINC001164803077 721572333 /nfs/dbraw/zinc/57/23/33/721572333.db2.gz JIGXFMYGNGESSO-NLWGTHIKSA-N 1 1 460.916 3.486 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)[C@H]2CCCO[C@@H]12 ZINC001164803077 721572335 /nfs/dbraw/zinc/57/23/35/721572335.db2.gz JIGXFMYGNGESSO-NLWGTHIKSA-N 1 1 460.916 3.486 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)[C@H]2CCCO[C@H]12 ZINC001164803083 721572391 /nfs/dbraw/zinc/57/23/91/721572391.db2.gz JIGXFMYGNGESSO-NSHGMRRFSA-N 1 1 460.916 3.486 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)[C@H]2CCCO[C@H]12 ZINC001164803083 721572392 /nfs/dbraw/zinc/57/23/92/721572392.db2.gz JIGXFMYGNGESSO-NSHGMRRFSA-N 1 1 460.916 3.486 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164803049 721572926 /nfs/dbraw/zinc/57/29/26/721572926.db2.gz JGPWRSXUJWFQMK-GBESFXJTSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164803049 721572928 /nfs/dbraw/zinc/57/29/28/721572928.db2.gz JGPWRSXUJWFQMK-GBESFXJTSA-N 1 1 466.916 3.330 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)[C@@H]2CCCO[C@H]12 ZINC001164806815 721579923 /nfs/dbraw/zinc/57/99/23/721579923.db2.gz NAQBTBMEAJGRAT-DRLORSAXSA-N 1 1 459.550 3.178 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)[C@@H]2CCCO[C@H]12 ZINC001164806815 721579926 /nfs/dbraw/zinc/57/99/26/721579926.db2.gz NAQBTBMEAJGRAT-DRLORSAXSA-N 1 1 459.550 3.178 20 0 JGADMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164801810 721586477 /nfs/dbraw/zinc/58/64/77/721586477.db2.gz FWVSUURYWIRZAJ-GPXNEJASSA-N 1 1 458.566 3.301 20 0 JGADMO Cc1cccc(CN2CCO[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[C@H]3C2=O)n1 ZINC001164798282 721602578 /nfs/dbraw/zinc/60/25/78/721602578.db2.gz FKSWVQTYLREWHJ-FGZHOGPDSA-N 1 1 470.017 3.288 20 0 JGADMO C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009146 721691750 /nfs/dbraw/zinc/69/17/50/721691750.db2.gz NNXRIRMPUOSJCK-GVCORALISA-N 1 1 465.598 3.352 20 0 JGADMO C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009143 721691887 /nfs/dbraw/zinc/69/18/87/721691887.db2.gz NNXRIRMPUOSJCK-FRPAHBMMSA-N 1 1 465.598 3.352 20 0 JGADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164906691 721693170 /nfs/dbraw/zinc/69/31/70/721693170.db2.gz OORUYPSGYNHZNU-JOCHJYFZSA-N 1 1 456.497 3.267 20 0 JGADMO FC1(F)CCN(c2nc3scnc3c(N3CCOCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903660 721695687 /nfs/dbraw/zinc/69/56/87/721695687.db2.gz BFQZFMXRMCSOAI-JOCHJYFZSA-N 1 1 487.580 3.056 20 0 JGADMO CN1CCOc2c(Cl)nnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164904119 721720918 /nfs/dbraw/zinc/72/09/18/721720918.db2.gz ABPVHSBNSNXCSJ-HXUWFJFHSA-N 1 1 450.921 3.091 20 0 JGADMO CC(C)C(=O)N1CCC[C@]12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001165009838 721725890 /nfs/dbraw/zinc/72/58/90/721725890.db2.gz ZODJLHNTHLLUQM-NFQMXDRXSA-N 1 1 485.673 3.108 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2C1 ZINC001164912962 721726150 /nfs/dbraw/zinc/72/61/50/721726150.db2.gz RVMAXTJFICRXCN-HSZRJFAPSA-N 1 1 472.540 3.124 20 0 JGADMO O=C(c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1)N1CCOCC1 ZINC001164913504 721727905 /nfs/dbraw/zinc/72/79/05/721727905.db2.gz WMAMXOJSACDYKS-QHCPKHFHSA-N 1 1 491.970 3.340 20 0 JGADMO FC1(F)CCN(c2nc(Cl)cc(O[C@@H]3CCOC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911733 721737041 /nfs/dbraw/zinc/73/70/41/721737041.db2.gz KAQWQRBKTHVOMW-DYESRHJHSA-N 1 1 465.932 3.430 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911753 721759283 /nfs/dbraw/zinc/75/92/83/721759283.db2.gz YOEQFBCOEQUDHQ-UHFFFAOYSA-N 1 1 460.538 3.328 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911753 721759287 /nfs/dbraw/zinc/75/92/87/721759287.db2.gz YOEQFBCOEQUDHQ-UHFFFAOYSA-N 1 1 460.538 3.328 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(=O)(=O)N1CCCCC1)C2 ZINC001164911515 721763015 /nfs/dbraw/zinc/76/30/15/721763015.db2.gz PGECMXIYXWVFJV-UHFFFAOYSA-N 1 1 481.622 3.439 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(=O)(=O)N1CCCCC1)C2 ZINC001164911515 721763019 /nfs/dbraw/zinc/76/30/19/721763019.db2.gz PGECMXIYXWVFJV-UHFFFAOYSA-N 1 1 481.622 3.439 20 0 JGADMO c1nc(CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)c2ncccn2)c2n1CCC[NH2+]C2 ZINC001165016017 721766731 /nfs/dbraw/zinc/76/67/31/721766731.db2.gz VIQKMURJIYSXQA-UHFFFAOYSA-N 1 1 466.593 3.458 20 0 JGADMO COc1ccc2c(c1)nc(Cl)cc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915233 721782521 /nfs/dbraw/zinc/78/25/21/721782521.db2.gz KORXDZIWXVFVJX-XMMPIXPASA-N 1 1 454.958 3.400 20 0 JGADMO COc1ccc2c(c1)nc(Cl)cc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915233 721782523 /nfs/dbraw/zinc/78/25/23/721782523.db2.gz KORXDZIWXVFVJX-XMMPIXPASA-N 1 1 454.958 3.400 20 0 JGADMO Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)cc1 ZINC001164914096 721785739 /nfs/dbraw/zinc/78/57/39/721785739.db2.gz BLTJQPACHIHJHC-HHHXNRCGSA-N 1 1 488.567 3.122 20 0 JGADMO Cc1nc2sc3c(c2c(N2CCO[C@]4(C2)COCC[N@H+](Cc2cccnc2)C4)n1)CCCC3 ZINC001164915666 721793026 /nfs/dbraw/zinc/79/30/26/721793026.db2.gz XKPGODBWCCBGAT-RUZDIDTESA-N 1 1 465.623 3.381 20 0 JGADMO Cc1nc2sc3c(c2c(N2CCO[C@]4(C2)COCC[N@@H+](Cc2cccnc2)C4)n1)CCCC3 ZINC001164915666 721793029 /nfs/dbraw/zinc/79/30/29/721793029.db2.gz XKPGODBWCCBGAT-RUZDIDTESA-N 1 1 465.623 3.381 20 0 JGADMO c1cc2c(nc(-c3ccccn3)nc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001164913695 721798380 /nfs/dbraw/zinc/79/83/80/721798380.db2.gz GDCULIVXWNBKGI-VWLOTQADSA-N 1 1 474.590 3.256 20 0 JGADMO c1cc2c(nc(-c3ccccn3)nc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)s1 ZINC001164913695 721798382 /nfs/dbraw/zinc/79/83/82/721798382.db2.gz GDCULIVXWNBKGI-VWLOTQADSA-N 1 1 474.590 3.256 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3ncnc(C4CC4)c3CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164914155 721803976 /nfs/dbraw/zinc/80/39/76/721803976.db2.gz AMYUWZQRZVGLML-SFHVURJKSA-N 1 1 478.641 3.153 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(S(N)(=O)=O)cnc3Cl)C[C@H]21 ZINC001165023596 721820743 /nfs/dbraw/zinc/82/07/43/721820743.db2.gz IHGYWMOZYACVNA-LSBZLQRGSA-N 1 1 485.988 3.059 20 0 JGADMO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164926259 721835761 /nfs/dbraw/zinc/83/57/61/721835761.db2.gz RGVLEJTWFIAXRP-AMGIVPHBSA-N 1 1 471.609 3.089 20 0 JGADMO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164926259 721835763 /nfs/dbraw/zinc/83/57/63/721835763.db2.gz RGVLEJTWFIAXRP-AMGIVPHBSA-N 1 1 471.609 3.089 20 0 JGADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)CC[C@H]2C1=O ZINC001164920055 721844485 /nfs/dbraw/zinc/84/44/85/721844485.db2.gz GATBLCYTSZOAHX-CTNGQTDRSA-N 1 1 495.649 3.120 20 0 JGADMO COc1cc(OC)nc(CN2CCN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC2)n1 ZINC001165029189 721850370 /nfs/dbraw/zinc/85/03/70/721850370.db2.gz GYGQRRRZTQIWQZ-UHFFFAOYSA-N 1 1 497.669 3.423 20 0 JGADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923425 721852238 /nfs/dbraw/zinc/85/22/38/721852238.db2.gz AKQVSYPSPHPSKC-LOSJGSFVSA-N 1 1 486.599 3.242 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923425 721852239 /nfs/dbraw/zinc/85/22/39/721852239.db2.gz AKQVSYPSPHPSKC-LOSJGSFVSA-N 1 1 486.599 3.242 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933919 721880165 /nfs/dbraw/zinc/88/01/65/721880165.db2.gz OSTFUGBGNZBYRB-VQTJNVASSA-N 1 1 454.688 3.381 20 0 JGADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933919 721880166 /nfs/dbraw/zinc/88/01/66/721880166.db2.gz OSTFUGBGNZBYRB-VQTJNVASSA-N 1 1 454.688 3.381 20 0 JGADMO O=C(CO[C@@H]1CO[C@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164938380 721917182 /nfs/dbraw/zinc/91/71/82/721917182.db2.gz MRYHPPJSVDWKMA-RBJSKKJNSA-N 1 1 476.621 3.017 20 0 JGADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)CC2 ZINC001164945067 721973763 /nfs/dbraw/zinc/97/37/63/721973763.db2.gz OFEAXLRWLOGXCN-LJQANCHMSA-N 1 1 496.015 3.150 20 0 JGADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)CC2 ZINC001164945067 721973767 /nfs/dbraw/zinc/97/37/67/721973767.db2.gz OFEAXLRWLOGXCN-LJQANCHMSA-N 1 1 496.015 3.150 20 0 JGADMO O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165049906 721980627 /nfs/dbraw/zinc/98/06/27/721980627.db2.gz NWWWBASYYUUGOP-SANMLTNESA-N 1 1 470.573 3.129 20 0 JGADMO COC(=O)CCN(Cc1ccco1)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165049901 721982596 /nfs/dbraw/zinc/98/25/96/721982596.db2.gz NUWHKHAEIXCWFK-SFHVURJKSA-N 1 1 472.586 3.043 20 0 JGADMO COC(=O)CCN(Cc1ccco1)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165049901 721982597 /nfs/dbraw/zinc/98/25/97/721982597.db2.gz NUWHKHAEIXCWFK-SFHVURJKSA-N 1 1 472.586 3.043 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)[C@H]2C1 ZINC001164949807 721985115 /nfs/dbraw/zinc/98/51/15/721985115.db2.gz QIROPGZQBLUNTI-MJGOQNOKSA-N 1 1 489.711 3.416 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CCCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)[C@H]2C1 ZINC001164946872 721985218 /nfs/dbraw/zinc/98/52/18/721985218.db2.gz BCINKUOMHPPNKH-AEFFLSMTSA-N 1 1 475.684 3.026 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@H]5CN(S(C)(=O)=O)C[C@@H]53)n2)CCC4)CC1 ZINC001164952837 721985281 /nfs/dbraw/zinc/98/52/81/721985281.db2.gz PSYCUMGTYSPARK-HKUYNNGSSA-N 1 1 489.711 3.272 20 0 JGADMO COC(=O)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C1CCCC1 ZINC001165048167 721988331 /nfs/dbraw/zinc/98/83/31/721988331.db2.gz KPGHGZMUTQELEB-SFHVURJKSA-N 1 1 460.619 3.193 20 0 JGADMO COC(=O)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C1CCCC1 ZINC001165048167 721988333 /nfs/dbraw/zinc/98/83/33/721988333.db2.gz KPGHGZMUTQELEB-SFHVURJKSA-N 1 1 460.619 3.193 20 0 JGADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164952745 722000023 /nfs/dbraw/zinc/00/00/23/722000023.db2.gz UOWWKEASGLZUIN-GZGNHOFSSA-N 1 1 475.618 3.263 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C3)C[C@@H](NC(=O)N(C)C)CCO4)c2c1C ZINC001164955331 722010214 /nfs/dbraw/zinc/01/02/14/722010214.db2.gz USDWRKCMKQGHMD-MHECFPHRSA-N 1 1 472.659 3.303 20 0 JGADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056321 722015474 /nfs/dbraw/zinc/01/54/74/722015474.db2.gz SRZFDJZKLWWCLY-LUAWRHEFSA-N 1 1 451.571 3.012 20 0 JGADMO O=C(c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)c1)N1CCOCC1 ZINC001164956238 722022142 /nfs/dbraw/zinc/02/21/42/722022142.db2.gz ZQWQSFHPIIUWBY-UHFFFAOYSA-N 1 1 455.990 3.095 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)nc1 ZINC001164957518 722032082 /nfs/dbraw/zinc/03/20/82/722032082.db2.gz MQJVDJCMOZELJU-MOUTVQLLSA-N 1 1 466.630 3.023 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H](CNC(=O)c4cnn(C)c4)OC[C@@H]3C2)nc1 ZINC001164957517 722032218 /nfs/dbraw/zinc/03/22/18/722032218.db2.gz MQJVDJCMOZELJU-KEZOAJOQSA-N 1 1 466.630 3.023 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@@H]4COC[C@@H]43)c2c1C ZINC001164960072 722037468 /nfs/dbraw/zinc/03/74/68/722037468.db2.gz IVGWBYRJVLMBDU-ZJOUEHCJSA-N 1 1 494.665 3.266 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)nc1 ZINC001164958304 722045894 /nfs/dbraw/zinc/04/58/94/722045894.db2.gz MQYRQZCPQDOQET-PKTZIBPZSA-N 1 1 456.631 3.253 20 0 JGADMO c1cc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc(N3CCOCC3)c2s1 ZINC001164961224 722053686 /nfs/dbraw/zinc/05/36/86/722053686.db2.gz WNJVZIDPLDFXKI-UHFFFAOYSA-N 1 1 480.638 3.042 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164962487 722058477 /nfs/dbraw/zinc/05/84/77/722058477.db2.gz SKKLCUODWOOZIT-UHFFFAOYSA-N 1 1 495.624 3.367 20 0 JGADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963268 722058834 /nfs/dbraw/zinc/05/88/34/722058834.db2.gz UYIHWBVVIOFVPH-UHFFFAOYSA-N 1 1 455.962 3.478 20 0 JGADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2)C1 ZINC001164963291 722059188 /nfs/dbraw/zinc/05/91/88/722059188.db2.gz VRHQVVGLIJPCBQ-JOCHJYFZSA-N 1 1 463.626 3.468 20 0 JGADMO Clc1nc2c(Cl)ncnc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164961699 722061325 /nfs/dbraw/zinc/06/13/25/722061325.db2.gz OHNONFFKRJDXKY-UHFFFAOYSA-N 1 1 460.369 3.241 20 0 JGADMO NC(=S)c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2sccc21 ZINC001164966413 722062224 /nfs/dbraw/zinc/06/22/24/722062224.db2.gz SLYIYKFTEACVPD-UHFFFAOYSA-N 1 1 453.637 3.445 20 0 JGADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967803 722073387 /nfs/dbraw/zinc/07/33/87/722073387.db2.gz XCDGOVDOQFEGCT-GASCZTMLSA-N 1 1 450.967 3.165 20 0 JGADMO CC(=O)N1[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164970489 722080164 /nfs/dbraw/zinc/08/01/64/722080164.db2.gz PPVANAAYVSPMOH-OHSXHVKISA-N 1 1 470.621 3.352 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164972146 722085216 /nfs/dbraw/zinc/08/52/16/722085216.db2.gz LEZVBKFEJLIQSF-MXEMCNAFSA-N 1 1 497.684 3.012 20 0 JGADMO c1cnn(Cc2nnc3n2CCCN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)C3)c1 ZINC001164978680 722089122 /nfs/dbraw/zinc/08/91/22/722089122.db2.gz XKTTZZGFSBCMKN-UHFFFAOYSA-N 1 1 489.653 3.413 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@H]32)n1 ZINC001164979356 722093422 /nfs/dbraw/zinc/09/34/22/722093422.db2.gz JTOJBUYNSFPDKX-UEXGIBASSA-N 1 1 497.669 3.050 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1)N1CCCCC1 ZINC001164980778 722105657 /nfs/dbraw/zinc/10/56/57/722105657.db2.gz KJRMVHCKWYVBPW-IRLDBZIGSA-N 1 1 470.017 3.483 20 0 JGADMO c1ccc(CN2CCc3c(ncnc3N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970874 722112206 /nfs/dbraw/zinc/11/22/06/722112206.db2.gz AFMHEMQHVIOLKR-SQHAQQRYSA-N 1 1 470.621 3.157 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979024 722117606 /nfs/dbraw/zinc/11/76/06/722117606.db2.gz OSDDOXSLONZKCI-IRXDYDNUSA-N 1 1 478.018 3.151 20 0 JGADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979773 722119318 /nfs/dbraw/zinc/11/93/18/722119318.db2.gz PVOMIGYYVKBVKO-IRLDBZIGSA-N 1 1 478.597 3.100 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979012 722124573 /nfs/dbraw/zinc/12/45/73/722124573.db2.gz ORWGDNFLWFIZHD-CVEARBPZSA-N 1 1 466.369 3.082 20 0 JGADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971893 722125202 /nfs/dbraw/zinc/12/52/02/722125202.db2.gz DCDPEDQXYPPSCR-UYAOXDASSA-N 1 1 458.006 3.386 20 0 JGADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981975 722127044 /nfs/dbraw/zinc/12/70/44/722127044.db2.gz VLCAXKZHIJHRKY-FUHWJXTLSA-N 1 1 460.916 3.345 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[C@H]3C2)c1 ZINC001164982172 722127253 /nfs/dbraw/zinc/12/72/53/722127253.db2.gz WCYNAYOPFYIXIJ-WIOPSUGQSA-N 1 1 486.624 3.046 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974370 722133639 /nfs/dbraw/zinc/13/36/39/722133639.db2.gz DKQLYIHFHJBONO-NFBKMPQASA-N 1 1 497.640 3.480 20 0 JGADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984218 722135681 /nfs/dbraw/zinc/13/56/81/722135681.db2.gz WMFYOQBAWSHPRY-VQIMIIECSA-N 1 1 460.916 3.345 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2[nH]cnc21 ZINC001164978042 722137591 /nfs/dbraw/zinc/13/75/91/722137591.db2.gz JIKWZGMPMILFLL-ICSRJNTNSA-N 1 1 479.585 3.427 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164983806 722137678 /nfs/dbraw/zinc/13/76/78/722137678.db2.gz VDEXBHQBJVWPRH-YIXXDRMTSA-N 1 1 499.615 3.369 20 0 JGADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983815 722146273 /nfs/dbraw/zinc/14/62/73/722146273.db2.gz VJPXHQKCMRKGSP-FIKGOQFSSA-N 1 1 471.911 3.058 20 0 JGADMO Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164981582 722151228 /nfs/dbraw/zinc/15/12/28/722151228.db2.gz PJSQPKDUDRQXRV-DHIUTWEWSA-N 1 1 458.566 3.160 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@@H]3C2)c1 ZINC001164981568 722151394 /nfs/dbraw/zinc/15/13/94/722151394.db2.gz PJKWPACELFIBJJ-SHQCIBLASA-N 1 1 486.620 3.103 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@@H]3C2)c1 ZINC001164981576 722151462 /nfs/dbraw/zinc/15/14/62/722151462.db2.gz PJKWPACELFIBJJ-SQHAQQRYSA-N 1 1 486.620 3.103 20 0 JGADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993724 722206083 /nfs/dbraw/zinc/20/60/83/722206083.db2.gz AFSVYKKYIOMWDU-IBGZPJMESA-N 1 1 474.936 3.311 20 0 JGADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993724 722206086 /nfs/dbraw/zinc/20/60/86/722206086.db2.gz AFSVYKKYIOMWDU-IBGZPJMESA-N 1 1 474.936 3.311 20 0 JGADMO CC1(C)NC(=O)N(Cc2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)C1=O ZINC001164995994 722209299 /nfs/dbraw/zinc/20/92/99/722209299.db2.gz RFMLEGGODLNBEN-VWLOTQADSA-N 1 1 451.546 3.296 20 0 JGADMO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164998806 722218413 /nfs/dbraw/zinc/21/84/13/722218413.db2.gz YDUGINOIKPHGGW-XMMPIXPASA-N 1 1 468.989 3.158 20 0 JGADMO CC(=O)NCc1ncn2c1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CCC2 ZINC001164999389 722228504 /nfs/dbraw/zinc/22/85/04/722228504.db2.gz MOCPCCNKBKMEKX-UHFFFAOYSA-N 1 1 479.654 3.409 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(-c4ccccc4)n2)CC3)CC1 ZINC001164996782 722235709 /nfs/dbraw/zinc/23/57/09/722235709.db2.gz JBJNXNDGOOAITB-UHFFFAOYSA-N 1 1 485.970 3.489 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(-c4ccco4)nnc2Cl)CC3)CC1 ZINC001165002750 722237628 /nfs/dbraw/zinc/23/76/28/722237628.db2.gz YDELYQQALDBKCE-UHFFFAOYSA-N 1 1 475.931 3.082 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(C(F)F)nc4ccc(Cl)cc42)CC3)CC1 ZINC001165002298 722238999 /nfs/dbraw/zinc/23/89/99/722238999.db2.gz SYRGYVLRIRNYGM-UHFFFAOYSA-N 1 1 459.932 3.368 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cnc(Cl)nc2Oc2ccccc2)CC3)CC1 ZINC001165001544 722239456 /nfs/dbraw/zinc/23/94/56/722239456.db2.gz IOBIKEXRXAAWND-UHFFFAOYSA-N 1 1 451.962 3.069 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CN(C(=O)c5cccn5C)CCO[C@@H]4C3)c2c1C ZINC001165005645 722244130 /nfs/dbraw/zinc/24/41/30/722244130.db2.gz VHMHTAGHOWIJCM-TZIWHRDSSA-N 1 1 494.665 3.220 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CC[N@@H+](C)C(C)C ZINC001305796546 1069316688 /nfs/dbraw/zinc/31/66/88/1069316688.db2.gz XNWGFAUFGVEJOX-OAQYLSRUSA-N 1 1 460.598 3.254 20 0 JGADMO CC[C@H](Cn1c(C(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305804015 1069328669 /nfs/dbraw/zinc/32/86/69/1069328669.db2.gz FDILBHSCTBPHOM-RTBURBONSA-N 1 1 464.655 3.394 20 0 JGADMO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001305804775 1069330057 /nfs/dbraw/zinc/33/00/57/1069330057.db2.gz VJGUZFUWIFLLSI-JTHBVZDNSA-N 1 1 484.645 3.121 20 0 JGADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccn1)[N@H+]1CCc2ccccc2C1 ZINC001305804776 1069330215 /nfs/dbraw/zinc/33/02/15/1069330215.db2.gz VKKVLFCOTOXMNH-HSZRJFAPSA-N 1 1 461.614 3.285 20 0 JGADMO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001305808178 1069337334 /nfs/dbraw/zinc/33/73/34/1069337334.db2.gz JFYSTTGWZWGPLC-VQTJNVASSA-N 1 1 476.691 3.393 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305814688 1069347050 /nfs/dbraw/zinc/34/70/50/1069347050.db2.gz PJLICDYOCWLUFB-UQBPGWFLSA-N 1 1 488.633 3.451 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)OC ZINC001305822532 1069358301 /nfs/dbraw/zinc/35/83/01/1069358301.db2.gz LJHPWHCTUVAFJB-WIYYLYMNSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)OC ZINC001305826173 1069365482 /nfs/dbraw/zinc/36/54/82/1069365482.db2.gz XTYHRWBRNFIRJW-IBGZPJMESA-N 1 1 454.619 3.409 20 0 JGADMO CC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)OC ZINC001305826173 1069365493 /nfs/dbraw/zinc/36/54/93/1069365493.db2.gz XTYHRWBRNFIRJW-IBGZPJMESA-N 1 1 454.619 3.409 20 0 JGADMO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC(N)=O)[N@H+]1CCc2ccccc2C1 ZINC001305826753 1069366394 /nfs/dbraw/zinc/36/63/94/1069366394.db2.gz KKBNSKBAABFAEW-KNQAVFIVSA-N 1 1 461.614 3.186 20 0 JGADMO CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837305 1069380489 /nfs/dbraw/zinc/38/04/89/1069380489.db2.gz SEOWJVROPUMOKT-WOZUAGRISA-N 1 1 494.681 3.021 20 0 JGADMO CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837305 1069380495 /nfs/dbraw/zinc/38/04/95/1069380495.db2.gz SEOWJVROPUMOKT-WOZUAGRISA-N 1 1 494.681 3.021 20 0 JGADMO CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305849881 1069402278 /nfs/dbraw/zinc/40/22/78/1069402278.db2.gz VMVWDBNFWIKYKD-SFTDATJTSA-N 1 1 457.619 3.235 20 0 JGADMO CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305849881 1069402282 /nfs/dbraw/zinc/40/22/82/1069402282.db2.gz VMVWDBNFWIKYKD-SFTDATJTSA-N 1 1 457.619 3.235 20 0 JGADMO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001305849943 1069402371 /nfs/dbraw/zinc/40/23/71/1069402371.db2.gz WFGOSHXLSLJAOH-QFIPXVFZSA-N 1 1 467.618 3.036 20 0 JGADMO CCC(O)(CC)Cn1c(-c2ccccc2C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001305851045 1069404163 /nfs/dbraw/zinc/40/41/63/1069404163.db2.gz ADPYJFRKTYTWAE-QHCPKHFHSA-N 1 1 484.689 3.036 20 0 JGADMO CCC(O)(CC)Cn1c(N2CC[NH+](Cc3cccs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305856368 1069410363 /nfs/dbraw/zinc/41/03/63/1069410363.db2.gz BURKLBXSAFWOQD-DEOSSOPVSA-N 1 1 477.675 3.254 20 0 JGADMO CC[C@]1(C)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cc[nH+]c2C)C1 ZINC001305867624 1069423244 /nfs/dbraw/zinc/42/32/44/1069423244.db2.gz OWIIRSDBBPKLCU-HSZRJFAPSA-N 1 1 471.631 3.027 20 0 JGADMO CC[C@@]1(C)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCCOC)C1 ZINC001305874499 1069427689 /nfs/dbraw/zinc/42/76/89/1069427689.db2.gz MIAAJPZDNKXZDD-CPJSRVTESA-N 1 1 494.681 3.181 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001305875329 1069428942 /nfs/dbraw/zinc/42/89/42/1069428942.db2.gz PXZCOOAIZGNXTJ-MIZPHKNDSA-N 1 1 451.681 3.461 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305886001 1069441948 /nfs/dbraw/zinc/44/19/48/1069441948.db2.gz MOILXVJMSBSWSG-OHUGHZGNSA-N 1 1 457.619 3.458 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001305884344 1069439461 /nfs/dbraw/zinc/43/94/61/1069439461.db2.gz BBKMUMJBAVQNCR-VWLOTQADSA-N 1 1 473.618 3.078 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001305884344 1069439469 /nfs/dbraw/zinc/43/94/69/1069439469.db2.gz BBKMUMJBAVQNCR-VWLOTQADSA-N 1 1 473.618 3.078 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001305886171 1069442532 /nfs/dbraw/zinc/44/25/32/1069442532.db2.gz IUKWVXHHCPKSQZ-RDGATRHJSA-N 1 1 457.619 3.316 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001305893921 1069451817 /nfs/dbraw/zinc/45/18/17/1069451817.db2.gz RGCMXJLSJMKDJC-QGZVFWFLSA-N 1 1 480.704 3.025 20 0 JGADMO CCc1ccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305917419 1069472018 /nfs/dbraw/zinc/47/20/18/1069472018.db2.gz OPILVKFUURGPDM-IRLDBZIGSA-N 1 1 470.643 3.152 20 0 JGADMO CCc1ccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305917414 1069472073 /nfs/dbraw/zinc/47/20/73/1069472073.db2.gz OPILVKFUURGPDM-IFMALSPDSA-N 1 1 470.643 3.152 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](CC)C2)[NH+](C)C)cc1 ZINC001305919250 1069474726 /nfs/dbraw/zinc/47/47/26/1069474726.db2.gz OBJRSTXXHXNDJB-HJNYFJLDSA-N 1 1 459.660 3.282 20 0 JGADMO CN(CC(=O)N1CCOCC1)c1nnc(CC2CCCC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001298207234 1064124245 /nfs/dbraw/zinc/12/42/45/1064124245.db2.gz XNWMIARHPTXWJF-JOCHJYFZSA-N 1 1 489.064 3.262 20 0 JGADMO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298220364 1064134211 /nfs/dbraw/zinc/13/42/11/1064134211.db2.gz KRRVHASYCJODNK-UHFFFAOYSA-N 1 1 463.026 3.415 20 0 JGADMO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001298220364 1064134215 /nfs/dbraw/zinc/13/42/15/1064134215.db2.gz KRRVHASYCJODNK-UHFFFAOYSA-N 1 1 463.026 3.415 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccoc1 ZINC001298236340 1064142172 /nfs/dbraw/zinc/14/21/72/1064142172.db2.gz RNJSYZMVAUYYBL-UHFFFAOYSA-N 1 1 477.407 3.472 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CCC(=O)Nc1ccccc1 ZINC001298238948 1064143510 /nfs/dbraw/zinc/14/35/10/1064143510.db2.gz CETNDKOHGQBQNQ-QFIPXVFZSA-N 1 1 484.645 3.343 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1C1CC(C(C)(C)C)C1 ZINC001298240198 1064144495 /nfs/dbraw/zinc/14/44/95/1064144495.db2.gz NUPGHMLEKDALEU-UHFFFAOYSA-N 1 1 460.667 3.192 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(Cl)cc1 ZINC001298240995 1064146475 /nfs/dbraw/zinc/14/64/75/1064146475.db2.gz XIBNPZKBGFYOOU-LJQANCHMSA-N 1 1 478.037 3.309 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001298241141 1064147353 /nfs/dbraw/zinc/14/73/53/1064147353.db2.gz TXOXZCLVZPXLBB-NSHDSACASA-N 1 1 458.286 3.493 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001298241139 1064147409 /nfs/dbraw/zinc/14/74/09/1064147409.db2.gz TXOXZCLVZPXLBB-LLVKDONJSA-N 1 1 458.286 3.493 20 0 JGADMO CN(Cc1cc(Cl)ccn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001298261971 1064157376 /nfs/dbraw/zinc/15/73/76/1064157376.db2.gz IVBZUKFUKFQWJU-WIYYLYMNSA-N 1 1 489.045 3.168 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298274346 1064164192 /nfs/dbraw/zinc/16/41/92/1064164192.db2.gz CIXLFYHSUOTNBN-MRXNPFEDSA-N 1 1 475.391 3.179 20 0 JGADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001298281760 1064168404 /nfs/dbraw/zinc/16/84/04/1064168404.db2.gz RFKBSXBXVHWCBP-CYBMUJFWSA-N 1 1 458.399 3.145 20 0 JGADMO O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001298289725 1064175419 /nfs/dbraw/zinc/17/54/19/1064175419.db2.gz USGKXLDSTPYXDV-IBGZPJMESA-N 1 1 456.974 3.232 20 0 JGADMO CN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001298309928 1064186883 /nfs/dbraw/zinc/18/68/83/1064186883.db2.gz OCTAZCYRUKBNCE-UYAOXDASSA-N 1 1 463.623 3.076 20 0 JGADMO CN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298309928 1064186891 /nfs/dbraw/zinc/18/68/91/1064186891.db2.gz OCTAZCYRUKBNCE-UYAOXDASSA-N 1 1 463.623 3.076 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(C2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298317572 1064193049 /nfs/dbraw/zinc/19/30/49/1064193049.db2.gz VTGNZOZQCXJCRL-UHFFFAOYSA-N 1 1 475.659 3.086 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(C2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298317572 1064193054 /nfs/dbraw/zinc/19/30/54/1064193054.db2.gz VTGNZOZQCXJCRL-UHFFFAOYSA-N 1 1 475.659 3.086 20 0 JGADMO CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)c1ccc(Br)cc1 ZINC001298333171 1064207002 /nfs/dbraw/zinc/20/70/02/1064207002.db2.gz SJMKMBISYFONRW-ULQDDVLXSA-N 1 1 456.356 3.270 20 0 JGADMO CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)c1ccc(Br)cc1 ZINC001298333171 1064207007 /nfs/dbraw/zinc/20/70/07/1064207007.db2.gz SJMKMBISYFONRW-ULQDDVLXSA-N 1 1 456.356 3.270 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298337717 1064207946 /nfs/dbraw/zinc/20/79/46/1064207946.db2.gz NKBMQIJGECFDKO-QFIPXVFZSA-N 1 1 455.006 3.401 20 0 JGADMO C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001298348878 1064212856 /nfs/dbraw/zinc/21/28/56/1064212856.db2.gz MHGIGJUIGRVVIM-FRPAHBMMSA-N 1 1 453.558 3.021 20 0 JGADMO C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)F)CC1 ZINC001298350454 1064214409 /nfs/dbraw/zinc/21/44/09/1064214409.db2.gz JPPWCCPBZDNCQR-UHFFFAOYSA-N 1 1 464.536 3.425 20 0 JGADMO CN(Cc1ccccc1Br)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCOCC1 ZINC001298351540 1064215267 /nfs/dbraw/zinc/21/52/67/1064215267.db2.gz VHZSQUCCKSMQKY-LJQANCHMSA-N 1 1 478.435 3.293 20 0 JGADMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)[C@@H]2C1 ZINC001298378288 1064225343 /nfs/dbraw/zinc/22/53/43/1064225343.db2.gz XIZIYSVASVMQQB-NFBKMPQASA-N 1 1 455.624 3.239 20 0 JGADMO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CC=CCC1 ZINC001298391028 1064229956 /nfs/dbraw/zinc/22/99/56/1064229956.db2.gz IGEGYTUGZGQKSU-UHFFFAOYSA-N 1 1 462.421 3.401 20 0 JGADMO O=C(Cc1ccccc1)NCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298397064 1064232663 /nfs/dbraw/zinc/23/26/63/1064232663.db2.gz UNZPKCYDYOFLGP-SANMLTNESA-N 1 1 456.590 3.434 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(C(C)(C)C)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001298400331 1064236442 /nfs/dbraw/zinc/23/64/42/1064236442.db2.gz WMGPRCNQXYVWJU-AWEZNQCLSA-N 1 1 450.513 3.423 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298449623 1064257384 /nfs/dbraw/zinc/25/73/84/1064257384.db2.gz LPUXGRBLIGETMK-UHFFFAOYSA-N 1 1 457.026 3.409 20 0 JGADMO CN(Cc1ccon1)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298465625 1064266322 /nfs/dbraw/zinc/26/63/22/1064266322.db2.gz MJKKNBVDXAANLW-UHFFFAOYSA-N 1 1 475.391 3.443 20 0 JGADMO CN(Cc1ccon1)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298465625 1064266329 /nfs/dbraw/zinc/26/63/29/1064266329.db2.gz MJKKNBVDXAANLW-UHFFFAOYSA-N 1 1 475.391 3.443 20 0 JGADMO CN(CC1CC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298517019 1064286933 /nfs/dbraw/zinc/28/69/33/1064286933.db2.gz LBBHNJLYRCVFJQ-FQEVSTJZSA-N 1 1 475.682 3.222 20 0 JGADMO CN(CC1CC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298517019 1064286948 /nfs/dbraw/zinc/28/69/48/1064286948.db2.gz LBBHNJLYRCVFJQ-FQEVSTJZSA-N 1 1 475.682 3.222 20 0 JGADMO CN(CC1CC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298517019 1064286960 /nfs/dbraw/zinc/28/69/60/1064286960.db2.gz LBBHNJLYRCVFJQ-FQEVSTJZSA-N 1 1 475.682 3.222 20 0 JGADMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cnn(-c4ccccc4)c3I)C2)C1 ZINC001298518209 1064287565 /nfs/dbraw/zinc/28/75/65/1064287565.db2.gz FZIIGDIQCIZCDH-IBGZPJMESA-N 1 1 450.324 3.035 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCOCC1 ZINC001298535549 1064297671 /nfs/dbraw/zinc/29/76/71/1064297671.db2.gz GSBXTJMNPORTCS-INIZCTEOSA-N 1 1 484.464 3.497 20 0 JGADMO CN(C[C@@H]1CCCN(c2nnc(C3CCC3)n2CCC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298548293 1064311668 /nfs/dbraw/zinc/31/16/68/1064311668.db2.gz PYZHZUPFOZVQAI-FQEVSTJZSA-N 1 1 476.666 3.351 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(CC2CC2)n1CCC(=O)NC(C)(C)C ZINC001298566353 1064336411 /nfs/dbraw/zinc/33/64/11/1064336411.db2.gz FKNLSTDRNOEENG-QFIPXVFZSA-N 1 1 452.647 3.494 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCC(=O)N2)n1CCOC(C)(C)C ZINC001298567981 1064340472 /nfs/dbraw/zinc/34/04/72/1064340472.db2.gz PABPUSOFGDEIPB-RTWAWAEBSA-N 1 1 454.619 3.003 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)Br ZINC001298568689 1064342568 /nfs/dbraw/zinc/34/25/68/1064342568.db2.gz XVJGCXBZIVFKMM-IRXDYDNUSA-N 1 1 497.388 3.175 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298588243 1064362074 /nfs/dbraw/zinc/36/20/74/1064362074.db2.gz VWPUCDGAOQDBQJ-LJQANCHMSA-N 1 1 478.037 3.281 20 0 JGADMO CN(CCC(F)F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001298608843 1064380600 /nfs/dbraw/zinc/38/06/00/1064380600.db2.gz MKOBQLYHXKSOSA-FUHWJXTLSA-N 1 1 459.607 3.069 20 0 JGADMO CN(CCCCCO)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298659561 1064434918 /nfs/dbraw/zinc/43/49/18/1064434918.db2.gz WGQOIRODYVKAGC-UHFFFAOYSA-N 1 1 486.480 3.479 20 0 JGADMO CN(CCCCCO)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCOCC1(C)C ZINC001298659561 1064434928 /nfs/dbraw/zinc/43/49/28/1064434928.db2.gz WGQOIRODYVKAGC-UHFFFAOYSA-N 1 1 486.480 3.479 20 0 JGADMO CC[C@H](C(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001298661600 1064438593 /nfs/dbraw/zinc/43/85/93/1064438593.db2.gz WJKIDDXKEMJWKH-MOUTVQLLSA-N 1 1 457.615 3.429 20 0 JGADMO CC[C@H](C(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001298661600 1064438598 /nfs/dbraw/zinc/43/85/98/1064438598.db2.gz WJKIDDXKEMJWKH-MOUTVQLLSA-N 1 1 457.615 3.429 20 0 JGADMO CN(c1nnc(C2CCC2)n1CCC[N@@H+](C)C1CCCCC1)C1CCN(S(C)(=O)=O)CC1 ZINC001298668683 1064448210 /nfs/dbraw/zinc/44/82/10/1064448210.db2.gz FUPLPYVEFRHSDJ-UHFFFAOYSA-N 1 1 466.696 3.060 20 0 JGADMO C[N@@H+](CCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Cc1ccccc1 ZINC001298672532 1064457043 /nfs/dbraw/zinc/45/70/43/1064457043.db2.gz UUROIISVTILROE-PKTZIBPZSA-N 1 1 482.673 3.435 20 0 JGADMO C[N@@H+](CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCCCCC1)Cc1ccccc1 ZINC001298673744 1064458094 /nfs/dbraw/zinc/45/80/94/1064458094.db2.gz BJMSVPJUIVQGQA-QFIPXVFZSA-N 1 1 459.660 3.473 20 0 JGADMO C[N@@H+](CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCCCCC1)Cc1ccccc1 ZINC001298673742 1064458114 /nfs/dbraw/zinc/45/81/14/1064458114.db2.gz BJMSVPJUIVQGQA-JOCHJYFZSA-N 1 1 459.660 3.473 20 0 JGADMO CN(CCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)CC(F)(F)F ZINC001298674246 1064460102 /nfs/dbraw/zinc/46/01/02/1064460102.db2.gz LRCSDGMAQKLLMS-QHCPKHFHSA-N 1 1 498.569 3.193 20 0 JGADMO C[N@@H+](CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CO)CC1)C1CCCCC1 ZINC001298680067 1064470025 /nfs/dbraw/zinc/47/00/25/1064470025.db2.gz QXMRPXXYKVPUHC-UHFFFAOYSA-N 1 1 474.675 3.133 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(Br)s2)n1CC[NH+]1CCCCC1 ZINC001298690070 1064486613 /nfs/dbraw/zinc/48/66/13/1064486613.db2.gz JLSAOPRAWHYIKK-UHFFFAOYSA-N 1 1 490.493 3.126 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298692686 1064492925 /nfs/dbraw/zinc/49/29/25/1064492925.db2.gz WQSHAFNICQWWJC-NRFANRHFSA-N 1 1 472.659 3.418 20 0 JGADMO C[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298697390 1064498846 /nfs/dbraw/zinc/49/88/46/1064498846.db2.gz FMVQQMHRFOBPSF-HXUWFJFHSA-N 1 1 466.051 3.486 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001298697407 1064499867 /nfs/dbraw/zinc/49/98/67/1064499867.db2.gz FVYJAUAUAZACHN-UHFFFAOYSA-N 1 1 461.492 3.446 20 0 JGADMO C[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC001298697725 1064499977 /nfs/dbraw/zinc/49/99/77/1064499977.db2.gz HUGCEXQZESCEOK-UHFFFAOYSA-N 1 1 495.093 3.335 20 0 JGADMO C[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC001298697495 1064499993 /nfs/dbraw/zinc/49/99/93/1064499993.db2.gz HGGQDQQETRAIFO-KRWDZBQOSA-N 1 1 475.435 3.284 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC001298699179 1064502401 /nfs/dbraw/zinc/50/24/01/1064502401.db2.gz ZOUFXKFPRCLVPP-AWEZNQCLSA-N 1 1 481.464 3.345 20 0 JGADMO CN(CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001298704720 1064508239 /nfs/dbraw/zinc/50/82/39/1064508239.db2.gz XNUACXBYNLCYDP-NRFANRHFSA-N 1 1 492.628 3.313 20 0 JGADMO CN(CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001298704645 1064508359 /nfs/dbraw/zinc/50/83/59/1064508359.db2.gz UFWGEQUVKHOLNP-QFIPXVFZSA-N 1 1 494.644 3.256 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(C(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001298705395 1064510281 /nfs/dbraw/zinc/51/02/81/1064510281.db2.gz GWRYSROYYFPPQL-SFHVURJKSA-N 1 1 466.483 3.199 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC001298706466 1064513024 /nfs/dbraw/zinc/51/30/24/1064513024.db2.gz WAAWBIDTOYFHCX-UHFFFAOYSA-N 1 1 470.622 3.057 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)F)CC1)Cc1ccc(F)cc1 ZINC001298709555 1064515735 /nfs/dbraw/zinc/51/57/35/1064515735.db2.gz UBDHOFGKAWYMJR-HXUWFJFHSA-N 1 1 466.552 3.178 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)F)CC1)Cc1ccc(F)cc1 ZINC001298709554 1064515892 /nfs/dbraw/zinc/51/58/92/1064515892.db2.gz UBDHOFGKAWYMJR-FQEVSTJZSA-N 1 1 466.552 3.178 20 0 JGADMO CN(CCn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001298711489 1064516174 /nfs/dbraw/zinc/51/61/74/1064516174.db2.gz BGMOMFNGELUCRH-LJQANCHMSA-N 1 1 460.648 3.472 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298712339 1064519170 /nfs/dbraw/zinc/51/91/70/1064519170.db2.gz BAZZMKBAMVYKCU-UNMCSNQZSA-N 1 1 486.636 3.184 20 0 JGADMO C[N@@H+](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1)C1CCCC1 ZINC001298712352 1064519324 /nfs/dbraw/zinc/51/93/24/1064519324.db2.gz BFBAKHCCVFHDDO-UHFFFAOYSA-N 1 1 462.639 3.104 20 0 JGADMO CN(CCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccsc2)CC1)CC(F)(F)F ZINC001298712795 1064520540 /nfs/dbraw/zinc/52/05/40/1064520540.db2.gz QWHOWNCBPPLJRB-UHFFFAOYSA-N 1 1 479.576 3.142 20 0 JGADMO CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298712988 1064521197 /nfs/dbraw/zinc/52/11/97/1064521197.db2.gz DKOJDALYQYIFGU-LJQANCHMSA-N 1 1 464.655 3.350 20 0 JGADMO CN(CCn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001298713385 1064521371 /nfs/dbraw/zinc/52/13/71/1064521371.db2.gz QGDHUDZGQJWBER-UHFFFAOYSA-N 1 1 487.574 3.470 20 0 JGADMO C[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Cc1ccccc1 ZINC001298713931 1064522407 /nfs/dbraw/zinc/52/24/07/1064522407.db2.gz IHDDTVBOOBEKTD-YADHBBJMSA-N 1 1 489.686 3.096 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Cc1ccccc1 ZINC001298713931 1064522419 /nfs/dbraw/zinc/52/24/19/1064522419.db2.gz IHDDTVBOOBEKTD-YADHBBJMSA-N 1 1 489.686 3.096 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC001298714215 1064522968 /nfs/dbraw/zinc/52/29/68/1064522968.db2.gz LGKTWWGWQGRBLJ-IRXDYDNUSA-N 1 1 477.597 3.223 20 0 JGADMO C[C@@H]1[C@H](C(=O)Nc2cc(I)cc(I)c2)CC[N@H+]1C ZINC001298716111 1064525899 /nfs/dbraw/zinc/52/58/99/1064525899.db2.gz DCLNTFAQSGNOEO-PRHODGIISA-N 1 1 470.092 3.175 20 0 JGADMO CN(CCn1c(CCc2ccccc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)CC(F)(F)F ZINC001298717755 1064528326 /nfs/dbraw/zinc/52/83/26/1064528326.db2.gz RBAKFLMHCVEPGG-HXUWFJFHSA-N 1 1 450.553 3.232 20 0 JGADMO C[N@@H+](CCn1c(CCOc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCC1 ZINC001298717792 1064528634 /nfs/dbraw/zinc/52/86/34/1064528634.db2.gz RRGWRLJPVMIIOR-QHCPKHFHSA-N 1 1 489.686 3.178 20 0 JGADMO C[N@@H+](CCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001298719489 1064529852 /nfs/dbraw/zinc/52/98/52/1064529852.db2.gz LILOAZMQXCLVID-UHFFFAOYSA-N 1 1 456.610 3.342 20 0 JGADMO C[N@@H+](CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1)C1CCCCC1 ZINC001298720087 1064530586 /nfs/dbraw/zinc/53/05/86/1064530586.db2.gz UFVUBMRVCGFURN-UHFFFAOYSA-N 1 1 463.051 3.425 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)nc2)n1CCCOC(F)F ZINC001298727808 1064537768 /nfs/dbraw/zinc/53/77/68/1064537768.db2.gz JEIDXJKLFXBKEI-UHFFFAOYSA-N 1 1 458.941 3.170 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)nc2)n1CCCOC(F)F ZINC001298727808 1064537781 /nfs/dbraw/zinc/53/77/81/1064537781.db2.gz JEIDXJKLFXBKEI-UHFFFAOYSA-N 1 1 458.941 3.170 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccco1 ZINC001298728051 1064539367 /nfs/dbraw/zinc/53/93/67/1064539367.db2.gz LWHYKCWWKHIDHQ-UHFFFAOYSA-N 1 1 487.004 3.050 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccco1 ZINC001298728051 1064539386 /nfs/dbraw/zinc/53/93/86/1064539386.db2.gz LWHYKCWWKHIDHQ-UHFFFAOYSA-N 1 1 487.004 3.050 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1CCSCc1ccccc1F ZINC001298729648 1064543734 /nfs/dbraw/zinc/54/37/34/1064543734.db2.gz KERROIMHWSHOTE-LJQANCHMSA-N 1 1 477.650 3.402 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1CCSCc1ccccc1F ZINC001298729648 1064543748 /nfs/dbraw/zinc/54/37/48/1064543748.db2.gz KERROIMHWSHOTE-LJQANCHMSA-N 1 1 477.650 3.402 20 0 JGADMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001298756325 1064565979 /nfs/dbraw/zinc/56/59/79/1064565979.db2.gz MVKVERWIMNCTJU-UHFFFAOYSA-N 1 1 452.942 3.050 20 0 JGADMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C1(c2ccccc2F)CCCC1 ZINC001298756565 1064566081 /nfs/dbraw/zinc/56/60/81/1064566081.db2.gz OIPSWQBZOFUQEH-UHFFFAOYSA-N 1 1 451.542 3.324 20 0 JGADMO CN(CCS(C)(=O)=O)c1nnc(C2CCCC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001298777586 1064583800 /nfs/dbraw/zinc/58/38/00/1064583800.db2.gz KNUROXMNFFYOCX-UHFFFAOYSA-N 1 1 459.660 3.253 20 0 JGADMO CN(CCS(C)(=O)=O)c1nnc(C2CCCC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001298777586 1064583815 /nfs/dbraw/zinc/58/38/15/1064583815.db2.gz KNUROXMNFFYOCX-UHFFFAOYSA-N 1 1 459.660 3.253 20 0 JGADMO C[NH+]1CCN([C@@H](C(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c2ccccc2)CC1 ZINC001298815669 1064617462 /nfs/dbraw/zinc/61/74/62/1064617462.db2.gz HYGCFAHBIFGVQY-ATIYNZHBSA-N 1 1 456.631 3.225 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCOc2ccc(F)c(F)c2)cn1 ZINC001298817469 1064618826 /nfs/dbraw/zinc/61/88/26/1064618826.db2.gz YEYJOXJWOZCRIB-UHFFFAOYSA-N 1 1 459.545 3.346 20 0 JGADMO Cn1cc(Nc2nnc(-c3ccc(Br)s3)n2CC(C)(C)[NH+]2CCOCC2)cn1 ZINC001298835208 1064639189 /nfs/dbraw/zinc/63/91/89/1064639189.db2.gz QQYBHNGBFMMKPU-UHFFFAOYSA-N 1 1 466.409 3.357 20 0 JGADMO Cc1cc(CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)cc(N2CCCC2)[nH+]1 ZINC001298839555 1064641360 /nfs/dbraw/zinc/64/13/60/1064641360.db2.gz IGVFKCAFYCNZAE-SFHVURJKSA-N 1 1 454.575 3.368 20 0 JGADMO Cn1cc(Nc2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001298841852 1064644621 /nfs/dbraw/zinc/64/46/21/1064644621.db2.gz ZJMRFSZNPIPFGB-UHFFFAOYSA-N 1 1 490.406 3.208 20 0 JGADMO Cn1cc(Nc2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001298841852 1064644626 /nfs/dbraw/zinc/64/46/26/1064644626.db2.gz ZJMRFSZNPIPFGB-UHFFFAOYSA-N 1 1 490.406 3.208 20 0 JGADMO Cn1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001298844111 1064647662 /nfs/dbraw/zinc/64/76/62/1064647662.db2.gz LFNVRHHMIRSJOT-UHFFFAOYSA-N 1 1 451.619 3.044 20 0 JGADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)COc1ccc(I)cc1 ZINC001298845796 1064649418 /nfs/dbraw/zinc/64/94/18/1064649418.db2.gz FEXVBICBMNUKEJ-UHFFFAOYSA-N 1 1 453.324 3.046 20 0 JGADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001298846877 1064650379 /nfs/dbraw/zinc/65/03/79/1064650379.db2.gz QFZCILFBLYWYMN-OZXSUGGESA-N 1 1 450.583 3.411 20 0 JGADMO COc1cccc([C@H]2[C@H](C(=O)N(C)CCC[N@@H+](C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847728 1064652061 /nfs/dbraw/zinc/65/20/61/1064652061.db2.gz WWFIJTUAGDORAH-NOZRDPDXSA-N 1 1 450.583 3.123 20 0 JGADMO CN(CCc1nccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298877472 1064682412 /nfs/dbraw/zinc/68/24/12/1064682412.db2.gz GBGWAPXDMDGPQF-XMMPIXPASA-N 1 1 454.644 3.445 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298878159 1064683214 /nfs/dbraw/zinc/68/32/14/1064683214.db2.gz JZLISFHDCDOBLT-LJQANCHMSA-N 1 1 481.782 3.052 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001298877791 1064683274 /nfs/dbraw/zinc/68/32/74/1064683274.db2.gz IPDWCWUHBNZOFR-QFIPXVFZSA-N 1 1 451.974 3.198 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C(C)(C)C)C2)C1 ZINC001298878207 1064683380 /nfs/dbraw/zinc/68/33/80/1064683380.db2.gz KMAIXIXLEIFBSU-PGRDOPGGSA-N 1 1 478.435 3.026 20 0 JGADMO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298878777 1064684191 /nfs/dbraw/zinc/68/41/91/1064684191.db2.gz MHLYMZOEFUHSQD-OAQYLSRUSA-N 1 1 464.467 3.201 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001298880713 1064685727 /nfs/dbraw/zinc/68/57/27/1064685727.db2.gz XHWQUGPEFZKTKF-NRFANRHFSA-N 1 1 463.424 3.285 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298880804 1064686656 /nfs/dbraw/zinc/68/66/56/1064686656.db2.gz ACXBGPXNEPQZBW-DEOSSOPVSA-N 1 1 471.005 3.041 20 0 JGADMO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298882150 1064688621 /nfs/dbraw/zinc/68/86/21/1064688621.db2.gz QIWQJHOHWNONPM-WIYYLYMNSA-N 1 1 453.509 3.242 20 0 JGADMO CN(Cc1cscn1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298882239 1064688680 /nfs/dbraw/zinc/68/86/80/1064688680.db2.gz SLGOTVXJSYIUPZ-FQEVSTJZSA-N 1 1 465.048 3.383 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001298881774 1064688725 /nfs/dbraw/zinc/68/87/25/1064688725.db2.gz KHQQFADAKNUJJO-NVQXNPDNSA-N 1 1 455.647 3.304 20 0 JGADMO CN(CCc1ccc(Br)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298882817 1064689342 /nfs/dbraw/zinc/68/93/42/1064689342.db2.gz ZXBJUNUOEVHURE-JOCHJYFZSA-N 1 1 464.452 3.375 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCSc2ccccc2)CC1 ZINC001298885679 1064692009 /nfs/dbraw/zinc/69/20/09/1064692009.db2.gz ATVRHCDRFKXJOY-FQEVSTJZSA-N 1 1 456.660 3.111 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001298885970 1064692069 /nfs/dbraw/zinc/69/20/69/1064692069.db2.gz CEZPBTKUNJTSKK-ACRUOGEOSA-N 1 1 474.694 3.424 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001298885660 1064692156 /nfs/dbraw/zinc/69/21/56/1064692156.db2.gz APHOIHFUQJWXPJ-BZSNNMDCSA-N 1 1 486.583 3.145 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001298886177 1064692825 /nfs/dbraw/zinc/69/28/25/1064692825.db2.gz NOTMSUAMRYZMGD-VQIMIIECSA-N 1 1 466.051 3.342 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(F)F)CC1 ZINC001298886164 1064692956 /nfs/dbraw/zinc/69/29/56/1064692956.db2.gz DQGPQPKBJKZAGW-IBGZPJMESA-N 1 1 496.990 3.299 20 0 JGADMO CN(C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001298886720 1064694908 /nfs/dbraw/zinc/69/49/08/1064694908.db2.gz RLWWYROKTRYNLJ-NRFANRHFSA-N 1 1 492.665 3.065 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001298887899 1064697444 /nfs/dbraw/zinc/69/74/44/1064697444.db2.gz YJMXJHIEAMXFHL-SFHVURJKSA-N 1 1 451.541 3.145 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C ZINC001298890021 1064700298 /nfs/dbraw/zinc/70/02/98/1064700298.db2.gz YSMBHJSTDJHSAY-JKSUJKDBSA-N 1 1 458.573 3.201 20 0 JGADMO C[N@H+]1CCN(CCn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897333 1064703556 /nfs/dbraw/zinc/70/35/56/1064703556.db2.gz MGPMPCYPMBIJMX-FQEVSTJZSA-N 1 1 475.682 3.065 20 0 JGADMO CN1CC[N@H+](CCn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897333 1064703564 /nfs/dbraw/zinc/70/35/64/1064703564.db2.gz MGPMPCYPMBIJMX-FQEVSTJZSA-N 1 1 475.682 3.065 20 0 JGADMO CN1CC[N@@H+](CCn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897333 1064703576 /nfs/dbraw/zinc/70/35/76/1064703576.db2.gz MGPMPCYPMBIJMX-FQEVSTJZSA-N 1 1 475.682 3.065 20 0 JGADMO CC(C)Cc1ccc([C@H](CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)[NH+](C)C)cc1 ZINC001298897669 1064703830 /nfs/dbraw/zinc/70/38/30/1064703830.db2.gz IFMJYRYJQSGUJP-NRFANRHFSA-N 1 1 452.530 3.105 20 0 JGADMO C[N@H+]1CCN(CCn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC001298897396 1064703958 /nfs/dbraw/zinc/70/39/58/1064703958.db2.gz MPJXMSUBLUJIKZ-UHFFFAOYSA-N 1 1 475.682 3.019 20 0 JGADMO CN1CC[N@H+](CCn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC001298897396 1064703964 /nfs/dbraw/zinc/70/39/64/1064703964.db2.gz MPJXMSUBLUJIKZ-UHFFFAOYSA-N 1 1 475.682 3.019 20 0 JGADMO CN1CC[N@@H+](CCn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC001298897396 1064703972 /nfs/dbraw/zinc/70/39/72/1064703972.db2.gz MPJXMSUBLUJIKZ-UHFFFAOYSA-N 1 1 475.682 3.019 20 0 JGADMO Cn1ncc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001298902964 1064707074 /nfs/dbraw/zinc/70/70/74/1064707074.db2.gz OFNYJXCHGSAAKK-UHFFFAOYSA-N 1 1 472.588 3.219 20 0 JGADMO C[N@H+]1CCN(CCn2c(CCOc3ccccc3)nnc2N2CCC(F)(F)CC2)CC1(C)C ZINC001298903113 1064707817 /nfs/dbraw/zinc/70/78/17/1064707817.db2.gz LKRZCKSNZOCBRH-UHFFFAOYSA-N 1 1 462.589 3.161 20 0 JGADMO CN1CC[N@H+](CCn2c(CCOc3ccccc3)nnc2N2CCC(F)(F)CC2)CC1(C)C ZINC001298903113 1064707830 /nfs/dbraw/zinc/70/78/30/1064707830.db2.gz LKRZCKSNZOCBRH-UHFFFAOYSA-N 1 1 462.589 3.161 20 0 JGADMO CN1CC[N@@H+](CCn2c(CCOc3ccccc3)nnc2N2CCC(F)(F)CC2)CC1(C)C ZINC001298903113 1064707838 /nfs/dbraw/zinc/70/78/38/1064707838.db2.gz LKRZCKSNZOCBRH-UHFFFAOYSA-N 1 1 462.589 3.161 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001298921351 1064722001 /nfs/dbraw/zinc/72/20/01/1064722001.db2.gz KDVYJVGODBESAH-SFHVURJKSA-N 1 1 450.587 3.329 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001298964411 1064751294 /nfs/dbraw/zinc/75/12/94/1064751294.db2.gz BJJNAWFHVLRBCO-QFBILLFUSA-N 1 1 475.037 3.442 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001298972538 1064763014 /nfs/dbraw/zinc/76/30/14/1064763014.db2.gz OYESGGOGBCNECB-SFTDATJTSA-N 1 1 492.672 3.460 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001298985743 1064770173 /nfs/dbraw/zinc/77/01/73/1064770173.db2.gz OFYMOYFVJFVOQA-ZRCGQRJVSA-N 1 1 484.645 3.264 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001299002724 1064781695 /nfs/dbraw/zinc/78/16/95/1064781695.db2.gz NAGOOXRGYUOFID-IRLDBZIGSA-N 1 1 468.646 3.309 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cc[nH+]c2C)C1 ZINC001299003964 1064784532 /nfs/dbraw/zinc/78/45/32/1064784532.db2.gz BXAMJTXLLJBCDA-JOCHJYFZSA-N 1 1 486.418 3.265 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299008484 1064792890 /nfs/dbraw/zinc/79/28/90/1064792890.db2.gz UIJHOACFZUXLKK-UUOWRZLLSA-N 1 1 460.598 3.250 20 0 JGADMO CC[N@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC001299008999 1064793406 /nfs/dbraw/zinc/79/34/06/1064793406.db2.gz DAMQSZPVTXHCBK-GBXCKJPGSA-N 1 1 455.624 3.053 20 0 JGADMO CC[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC001299009002 1064793667 /nfs/dbraw/zinc/79/36/67/1064793667.db2.gz DAMQSZPVTXHCBK-YKSBVNFPSA-N 1 1 455.624 3.053 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001299012385 1064795521 /nfs/dbraw/zinc/79/55/21/1064795521.db2.gz FKXPXADNMMVRPY-SIBVEZHUSA-N 1 1 484.645 3.188 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001299012384 1064795575 /nfs/dbraw/zinc/79/55/75/1064795575.db2.gz FKXPXADNMMVRPY-NIYFSFCBSA-N 1 1 484.645 3.188 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001299014427 1064796882 /nfs/dbraw/zinc/79/68/82/1064796882.db2.gz AJQHTXIYXALFEE-AREMUKBSSA-N 1 1 484.645 3.047 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299014964 1064797843 /nfs/dbraw/zinc/79/78/43/1064797843.db2.gz PASNHGJXMLHVLS-XVTZWQNCSA-N 1 1 493.027 3.199 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299015485 1064798485 /nfs/dbraw/zinc/79/84/85/1064798485.db2.gz RLCFWZCCHMKZJQ-BXKMTCNYSA-N 1 1 474.053 3.466 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299029849 1064815115 /nfs/dbraw/zinc/81/51/15/1064815115.db2.gz QPKHHXMHLXZXCH-NIYFSFCBSA-N 1 1 488.627 3.478 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001299030851 1064817522 /nfs/dbraw/zinc/81/75/22/1064817522.db2.gz VOWNDHJWQAFANR-HFZDXXHNSA-N 1 1 452.647 3.494 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001299038633 1064827121 /nfs/dbraw/zinc/82/71/21/1064827121.db2.gz AMNDFOCYXBCLQI-BGYRXZFFSA-N 1 1 491.640 3.224 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001299068729 1064863433 /nfs/dbraw/zinc/86/34/33/1064863433.db2.gz QTGHZXRHROPXMB-GBESFXJTSA-N 1 1 458.582 3.004 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001299070518 1064867738 /nfs/dbraw/zinc/86/77/38/1064867738.db2.gz IKCRMAWNMCWZKL-SJORKVTESA-N 1 1 492.466 3.119 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001299070930 1064869201 /nfs/dbraw/zinc/86/92/01/1064869201.db2.gz BNTPLLXHGNZSKZ-CABCVRRESA-N 1 1 481.464 3.216 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001299084302 1064887368 /nfs/dbraw/zinc/88/73/68/1064887368.db2.gz DYMOUIQPLSKAJL-JOCHJYFZSA-N 1 1 452.647 3.278 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299084596 1064888795 /nfs/dbraw/zinc/88/87/95/1064888795.db2.gz FUPMKNZGDZTROP-FQEVSTJZSA-N 1 1 465.602 3.293 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC001299090270 1064895754 /nfs/dbraw/zinc/89/57/54/1064895754.db2.gz WPDVYIQZNQNYAW-IBGZPJMESA-N 1 1 453.566 3.121 20 0 JGADMO CNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001299103443 1064913831 /nfs/dbraw/zinc/91/38/31/1064913831.db2.gz YSOORVPYYNHJOU-KRWDZBQOSA-N 1 1 469.565 3.115 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001299111426 1064921514 /nfs/dbraw/zinc/92/15/14/1064921514.db2.gz OWYPXONGHVWDCB-UHFFFAOYSA-N 1 1 454.619 3.181 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001299124381 1064932846 /nfs/dbraw/zinc/93/28/46/1064932846.db2.gz RGITZLDUIMQBFB-UHFFFAOYSA-N 1 1 484.645 3.093 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001299132800 1064940400 /nfs/dbraw/zinc/94/04/00/1064940400.db2.gz ADMPCPWMJLFGDH-JTAQYXEDSA-N 1 1 482.673 3.314 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001299748786 1064948138 /nfs/dbraw/zinc/94/81/38/1064948138.db2.gz FAEBKASCPDUHFJ-QFIPXVFZSA-N 1 1 494.482 3.067 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299748786 1064948157 /nfs/dbraw/zinc/94/81/57/1064948157.db2.gz FAEBKASCPDUHFJ-QFIPXVFZSA-N 1 1 494.482 3.067 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299748786 1064948170 /nfs/dbraw/zinc/94/81/70/1064948170.db2.gz FAEBKASCPDUHFJ-QFIPXVFZSA-N 1 1 494.482 3.067 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001299763548 1064960494 /nfs/dbraw/zinc/96/04/94/1064960494.db2.gz MJIFAILVAJOJNW-DCLXLUIPSA-N 1 1 481.707 3.086 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299766108 1064962884 /nfs/dbraw/zinc/96/28/84/1064962884.db2.gz VOGUJAXLUYKBRM-NLFFAJNJSA-N 1 1 494.681 3.322 20 0 JGADMO COC1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299779273 1064978424 /nfs/dbraw/zinc/97/84/24/1064978424.db2.gz HBNPSXKOXHZBMG-SFHVURJKSA-N 1 1 475.659 3.084 20 0 JGADMO COC1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001299785442 1064983014 /nfs/dbraw/zinc/98/30/14/1064983014.db2.gz IBONWJVVGDZQLU-OAQYLSRUSA-N 1 1 457.619 3.200 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001299786108 1064983534 /nfs/dbraw/zinc/98/35/34/1064983534.db2.gz OTKOPXGLXOYISE-OAHLLOKOSA-N 1 1 464.408 3.327 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001299786107 1064983600 /nfs/dbraw/zinc/98/36/00/1064983600.db2.gz OTKOPXGLXOYISE-HNNXBMFYSA-N 1 1 464.408 3.327 20 0 JGADMO COC1(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCC1 ZINC001299786782 1064984132 /nfs/dbraw/zinc/98/41/32/1064984132.db2.gz QRWZGPKIUNACNL-OAQYLSRUSA-N 1 1 454.619 3.086 20 0 JGADMO COC1(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001299787311 1064984799 /nfs/dbraw/zinc/98/47/99/1064984799.db2.gz VFWPMMXITLGDGP-JOCHJYFZSA-N 1 1 468.646 3.476 20 0 JGADMO COC1(Cn2c(C(C)C)nnc2N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)CCCCC1 ZINC001299794030 1064990570 /nfs/dbraw/zinc/99/05/70/1064990570.db2.gz AKLFJBFZIXPKJG-UNMCSNQZSA-N 1 1 460.667 3.130 20 0 JGADMO COC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC001299795437 1064991892 /nfs/dbraw/zinc/99/18/92/1064991892.db2.gz OFGLXVDOPBWGIE-NRFANRHFSA-N 1 1 468.646 3.476 20 0 JGADMO COC1(OC)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C[C@H]1O ZINC001299819264 1065012968 /nfs/dbraw/zinc/01/29/68/1065012968.db2.gz AMJPGYPAAJIFQT-YTFSRNRJSA-N 1 1 458.986 3.138 20 0 JGADMO COC1(Cn2c(N3C[C@@H](C)[C@@H]([N@H+]4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)CCCCC1 ZINC001299820001 1065013563 /nfs/dbraw/zinc/01/35/63/1065013563.db2.gz BLGBWMULJVPKRA-IRLDBZIGSA-N 1 1 474.694 3.304 20 0 JGADMO COc1cc(C)nc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC001299834027 1065025630 /nfs/dbraw/zinc/02/56/30/1065025630.db2.gz ILJNVEYPFWIXAF-LJQANCHMSA-N 1 1 470.666 3.130 20 0 JGADMO COc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001299834973 1065026419 /nfs/dbraw/zinc/02/64/19/1065026419.db2.gz SIIILGYPFIDCLY-LJQANCHMSA-N 1 1 470.666 3.346 20 0 JGADMO COc1cc(-c2nnc(N(C)CC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC001299837747 1065031264 /nfs/dbraw/zinc/03/12/64/1065031264.db2.gz YEPIWZYVAQCBCJ-UHFFFAOYSA-N 1 1 474.650 3.089 20 0 JGADMO COc1cc(-c2nnc(N(C)CC(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299837747 1065031272 /nfs/dbraw/zinc/03/12/72/1065031272.db2.gz YEPIWZYVAQCBCJ-UHFFFAOYSA-N 1 1 474.650 3.089 20 0 JGADMO COc1cc(-c2nnc(N(C)CC(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299837747 1065031282 /nfs/dbraw/zinc/03/12/82/1065031282.db2.gz YEPIWZYVAQCBCJ-UHFFFAOYSA-N 1 1 474.650 3.089 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299840459 1065034105 /nfs/dbraw/zinc/03/41/05/1065034105.db2.gz PZTMYVZHGXHILX-PMACEKPBSA-N 1 1 485.629 3.484 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)cc(OC)c1OC ZINC001299842642 1065039294 /nfs/dbraw/zinc/03/92/94/1065039294.db2.gz BGRDQHAAPPTEHB-SQNIBIBYSA-N 1 1 459.591 3.069 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CC[N@@H+]2CC=CCC2)cc(OC)c1OC ZINC001299843253 1065040323 /nfs/dbraw/zinc/04/03/23/1065040323.db2.gz IBYJGHHNNBFHTP-NRFANRHFSA-N 1 1 471.602 3.094 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C4CC4)C3)n2CC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299843468 1065040834 /nfs/dbraw/zinc/04/08/34/1065040834.db2.gz JXAFOGBFVUTXNZ-VGOFRKELSA-N 1 1 473.618 3.315 20 0 JGADMO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)cc2)C1 ZINC001299848925 1065052049 /nfs/dbraw/zinc/05/20/49/1065052049.db2.gz CYPXTTMPJNYKIW-KWOQKUFVSA-N 1 1 455.624 3.182 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@H](C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299851799 1065057557 /nfs/dbraw/zinc/05/75/57/1065057557.db2.gz YMIVUXOOGNTWDT-UQBPGWFLSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299851996 1065058124 /nfs/dbraw/zinc/05/81/24/1065058124.db2.gz AANGTMLEIWPVEW-UIOOFZCWSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299851993 1065058216 /nfs/dbraw/zinc/05/82/16/1065058216.db2.gz AANGTMLEIWPVEW-CLJLJLNGSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(-c2nnc(N3CCCO[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC001299854800 1065062736 /nfs/dbraw/zinc/06/27/36/1065062736.db2.gz NKXYFLKXENESJH-MOPGFXCFSA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CCCOCC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc(OC)c1OC ZINC001299854736 1065062810 /nfs/dbraw/zinc/06/28/10/1065062810.db2.gz MKCFIDNSCJZACS-OAQYLSRUSA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CCCO[C@H](C)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC001299854804 1065063063 /nfs/dbraw/zinc/06/30/63/1065063063.db2.gz NKXYFLKXENESJH-RBUKOAKNSA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@](C)(O)C2CC2)cc(OC)c1OC ZINC001299855857 1065064662 /nfs/dbraw/zinc/06/46/62/1065064662.db2.gz YKFVUUULYKBYKC-RUZDIDTESA-N 1 1 473.618 3.052 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCCOC(F)F)cc(OC)c1OC ZINC001299857057 1065066010 /nfs/dbraw/zinc/06/60/10/1065066010.db2.gz IUBKVIFFVIKMOA-KRWDZBQOSA-N 1 1 481.544 3.275 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCCCSC)ccc1OC(C)C ZINC001299857644 1065067594 /nfs/dbraw/zinc/06/75/94/1065067594.db2.gz UZYVRRMWVWYQJS-FQEVSTJZSA-N 1 1 475.659 3.405 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCCCSC)ccc1OC(C)C ZINC001299857644 1065067604 /nfs/dbraw/zinc/06/76/04/1065067604.db2.gz UZYVRRMWVWYQJS-FQEVSTJZSA-N 1 1 475.659 3.405 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)cc(OC)c1OC ZINC001299857728 1065068102 /nfs/dbraw/zinc/06/81/02/1065068102.db2.gz WRMUTMBZCDJZKS-XMSQKQJNSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@H](c4ccco4)C3)n2CC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299859367 1065072323 /nfs/dbraw/zinc/07/23/23/1065072323.db2.gz BBAOWSIZACDCEI-QFIPXVFZSA-N 1 1 485.585 3.482 20 0 JGADMO COc1cc(-c2nnc(N3CCOCC3)n2CCC[N@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC001299860555 1065075785 /nfs/dbraw/zinc/07/57/85/1065075785.db2.gz UGFHRCDKZCTUCN-GOSISDBHSA-N 1 1 459.591 3.072 20 0 JGADMO COc1cc(CN(C)c2nnc(C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)ccc1OC(F)F ZINC001299869290 1065086872 /nfs/dbraw/zinc/08/68/72/1065086872.db2.gz DIADKYRANJCBLO-QFIPXVFZSA-N 1 1 483.585 3.041 20 0 JGADMO COc1cc(CN(C)c2nnc(C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1OC(F)F ZINC001299871482 1065090189 /nfs/dbraw/zinc/09/01/89/1065090189.db2.gz KIGQWCPDZNDVPC-GOSISDBHSA-N 1 1 453.534 3.190 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(-c4ccccn4)n3CCOC(C)C)CC2)cc(OC)c1 ZINC001299892997 1065122526 /nfs/dbraw/zinc/12/25/26/1065122526.db2.gz PGEAAAPJDMFZFD-UHFFFAOYSA-N 1 1 466.586 3.105 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[C@H](O)C3)CC2)cc(OC)c1 ZINC001299893954 1065123934 /nfs/dbraw/zinc/12/39/34/1065123934.db2.gz ZCMFBGVFCLTUMF-IRLDBZIGSA-N 1 1 471.646 3.367 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC2CCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001299895928 1065129044 /nfs/dbraw/zinc/12/90/44/1065129044.db2.gz ODDKHTNAXOTGHN-UHFFFAOYSA-N 1 1 461.010 3.008 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H]2CSC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001299905344 1065145415 /nfs/dbraw/zinc/14/54/15/1065145415.db2.gz FOUYESVBFJFJBB-IBGZPJMESA-N 1 1 493.077 3.103 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001299907207 1065148557 /nfs/dbraw/zinc/14/85/57/1065148557.db2.gz CVXDDEJLIQGKNB-BZSNNMDCSA-N 1 1 475.037 3.429 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCCN(C(C)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001299907046 1065148639 /nfs/dbraw/zinc/14/86/39/1065148639.db2.gz BKDAUTSGEIOBAB-QGZVFWFLSA-N 1 1 461.010 3.150 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001299907920 1065151100 /nfs/dbraw/zinc/15/11/00/1065151100.db2.gz WETWBVSRTPYKLN-HKUYNNGSSA-N 1 1 475.037 3.444 20 0 JGADMO COc1cc(N2CCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)ccc1F ZINC001299922524 1065176137 /nfs/dbraw/zinc/17/61/37/1065176137.db2.gz PTTLJHSRKLQTQF-UHFFFAOYSA-N 1 1 474.625 3.062 20 0 JGADMO COc1cc(N2CCN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)ccc1F ZINC001299922524 1065176140 /nfs/dbraw/zinc/17/61/40/1065176140.db2.gz PTTLJHSRKLQTQF-UHFFFAOYSA-N 1 1 474.625 3.062 20 0 JGADMO COc1cc(OC)c(CCn2c(N(C)CC[N@@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)c(OC)c1 ZINC001299924934 1065181790 /nfs/dbraw/zinc/18/17/90/1065181790.db2.gz MMGKNMFFWCHALA-UHFFFAOYSA-N 1 1 489.661 3.391 20 0 JGADMO COc1cc(OC)c(CCn2c(N(C)CC[N@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)c(OC)c1 ZINC001299924934 1065181798 /nfs/dbraw/zinc/18/17/98/1065181798.db2.gz MMGKNMFFWCHALA-UHFFFAOYSA-N 1 1 489.661 3.391 20 0 JGADMO CCN1C(=O)N=NC1C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001299926612 1065187188 /nfs/dbraw/zinc/18/71/88/1065187188.db2.gz XEXKJZQGYUYVTH-OAQYLSRUSA-N 1 1 451.493 3.164 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299928043 1065189698 /nfs/dbraw/zinc/18/96/98/1065189698.db2.gz LJSRMDJEVIMGRW-SFHVURJKSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299928043 1065189704 /nfs/dbraw/zinc/18/97/04/1065189704.db2.gz LJSRMDJEVIMGRW-SFHVURJKSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC(F)(F)F)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001299931393 1065194953 /nfs/dbraw/zinc/19/49/53/1065194953.db2.gz YSYONJBKUSHCAC-MRXNPFEDSA-N 1 1 471.524 3.462 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCc3nccs3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001299932121 1065197776 /nfs/dbraw/zinc/19/77/76/1065197776.db2.gz LOHKHJKAPLIYOJ-UHFFFAOYSA-N 1 1 486.642 3.209 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCSC(C)C)c1 ZINC001299934104 1065200806 /nfs/dbraw/zinc/20/08/06/1065200806.db2.gz PJJSQMKGDHJXKS-PGRDOPGGSA-N 1 1 475.659 3.261 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCn2cc[nH+]c2C)c1 ZINC001299937075 1065204442 /nfs/dbraw/zinc/20/44/42/1065204442.db2.gz DAKMQHIMJRXULC-UHFFFAOYSA-N 1 1 495.628 3.251 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299937844 1065205916 /nfs/dbraw/zinc/20/59/16/1065205916.db2.gz WVMIYVGXKHGYIK-XHNVNVPESA-N 1 1 473.618 3.075 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001299937781 1065206028 /nfs/dbraw/zinc/20/60/28/1065206028.db2.gz VRVPALVTKMFNDR-VWLOTQADSA-N 1 1 455.603 3.212 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001299938192 1065206606 /nfs/dbraw/zinc/20/66/06/1065206606.db2.gz XJXGPCSPPIUBCF-BZSNNMDCSA-N 1 1 461.632 3.013 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001299938192 1065206617 /nfs/dbraw/zinc/20/66/17/1065206617.db2.gz XJXGPCSPPIUBCF-BZSNNMDCSA-N 1 1 461.632 3.013 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(F)(F)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001299941392 1065210815 /nfs/dbraw/zinc/21/08/15/1065210815.db2.gz IPXPIIQWUFTDNO-QGZVFWFLSA-N 1 1 465.545 3.309 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCn2cc(C)cn2)c1 ZINC001299946363 1065221006 /nfs/dbraw/zinc/22/10/06/1065221006.db2.gz BIRTYWZNGOVFFV-UHFFFAOYSA-N 1 1 467.618 3.478 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(CC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC001299958731 1065237579 /nfs/dbraw/zinc/23/75/79/1065237579.db2.gz VQYUXWVQIODLEC-DEOSSOPVSA-N 1 1 475.659 3.470 20 0 JGADMO COc1ccc([C@@H](C)N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001299987004 1065289399 /nfs/dbraw/zinc/28/93/99/1065289399.db2.gz NUYNNWHPRRFMRD-IUVOSCESSA-N 1 1 471.646 3.469 20 0 JGADMO COc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC001299987845 1065290176 /nfs/dbraw/zinc/29/01/76/1065290176.db2.gz HNMUIGIULWBZNZ-IRLDBZIGSA-N 1 1 489.686 3.336 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001299987727 1065290285 /nfs/dbraw/zinc/29/02/85/1065290285.db2.gz VCJXPNQZTISEQD-SVFBPWRDSA-N 1 1 475.659 3.118 20 0 JGADMO COc1ccc([C@@H](Cn2c(N(C)[C@H]3CCS(=O)(=O)C3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001299988488 1065292157 /nfs/dbraw/zinc/29/21/57/1065292157.db2.gz OFOSKGUCPKBTAY-PZJWPPBQSA-N 1 1 475.659 3.045 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCOCC(F)F)CC1 ZINC001299990490 1065293725 /nfs/dbraw/zinc/29/37/25/1065293725.db2.gz ICIBVYNXYSRMDQ-HXUWFJFHSA-N 1 1 465.545 3.051 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCSCCCO)CC1 ZINC001299991505 1065296622 /nfs/dbraw/zinc/29/66/22/1065296622.db2.gz XEQYEAZUHSEEQT-UHFFFAOYSA-N 1 1 461.676 3.330 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC001299992569 1065299489 /nfs/dbraw/zinc/29/94/89/1065299489.db2.gz PCSGCNIZEFIWOP-RXVVDRJESA-N 1 1 484.645 3.460 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1Br ZINC001299995856 1065303856 /nfs/dbraw/zinc/30/38/56/1065303856.db2.gz BSHUJSCGBSFQRQ-RDJZCZTQSA-N 1 1 496.475 3.379 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1Br ZINC001299995856 1065303866 /nfs/dbraw/zinc/30/38/66/1065303866.db2.gz BSHUJSCGBSFQRQ-RDJZCZTQSA-N 1 1 496.475 3.379 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2(O)CCCC2)cc1OC ZINC001299997822 1065308921 /nfs/dbraw/zinc/30/89/21/1065308921.db2.gz QBSAERGVOPGVQN-UHFFFAOYSA-N 1 1 487.645 3.062 20 0 JGADMO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001492201172 1065315086 /nfs/dbraw/zinc/31/50/86/1065315086.db2.gz LWAQRVCNSKDFPV-UHFFFAOYSA-N 1 1 482.654 3.173 20 0 JGADMO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001492201172 1065315098 /nfs/dbraw/zinc/31/50/98/1065315098.db2.gz LWAQRVCNSKDFPV-UHFFFAOYSA-N 1 1 482.654 3.173 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001492208559 1065323000 /nfs/dbraw/zinc/32/30/00/1065323000.db2.gz VBTJAXZHQOSCSW-SFHVURJKSA-N 1 1 451.550 3.494 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492211436 1065324523 /nfs/dbraw/zinc/32/45/23/1065324523.db2.gz NQYUDSJYWRCGCV-REWPJTCUSA-N 1 1 486.636 3.199 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(CC3CC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492217938 1065327820 /nfs/dbraw/zinc/32/78/20/1065327820.db2.gz USKSPMIPIOYTIP-QFIPXVFZSA-N 1 1 456.610 3.257 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(F)(F)F)n2CCCC[NH+]2CCOCC2)cc1C ZINC001492234980 1065334803 /nfs/dbraw/zinc/33/48/03/1065334803.db2.gz IEBSRQSMGPKVOU-UHFFFAOYSA-N 1 1 468.524 3.258 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCOC3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001492234422 1065334893 /nfs/dbraw/zinc/33/48/93/1065334893.db2.gz DDVZYNWFBKXRPJ-VQTJNVASSA-N 1 1 452.559 3.268 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCSC(C)C)cc1C ZINC001492244344 1065342819 /nfs/dbraw/zinc/34/28/19/1065342819.db2.gz PBULPLREJZLPFM-RBBKRZOGSA-N 1 1 486.686 3.446 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCSC(C)C)cc1C ZINC001492244345 1065342844 /nfs/dbraw/zinc/34/28/44/1065342844.db2.gz PBULPLREJZLPFM-UNMCSNQZSA-N 1 1 486.686 3.446 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCC[NH+]2CCOCC2)cc1C ZINC001492244204 1065342915 /nfs/dbraw/zinc/34/29/15/1065342915.db2.gz OJLBMQPURDBFKE-RTBURBONSA-N 1 1 454.619 3.352 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCSC(C)C)cc1C ZINC001492244342 1065343084 /nfs/dbraw/zinc/34/30/84/1065343084.db2.gz PBULPLREJZLPFM-IFMALSPDSA-N 1 1 486.686 3.446 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCCOC(C)C)cc1C ZINC001492244430 1065343465 /nfs/dbraw/zinc/34/34/65/1065343465.db2.gz RVKAQOIUCOXTHV-GMAHTHKFSA-N 1 1 484.645 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOC(C)C)cc1C ZINC001492244521 1065343561 /nfs/dbraw/zinc/34/35/61/1065343561.db2.gz RVKAQOIUCOXTHV-JTHBVZDNSA-N 1 1 484.645 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492249711 1065349377 /nfs/dbraw/zinc/34/93/77/1065349377.db2.gz CJUZHGVVWRLFGV-QGZVFWFLSA-N 1 1 476.572 3.351 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2([S@@](C)=O)CCC2)cc1C ZINC001492265896 1065358769 /nfs/dbraw/zinc/35/87/69/1065358769.db2.gz GQMXCMTZGDJTHE-UUWRZZSWSA-N 1 1 486.686 3.226 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001492265950 1065359508 /nfs/dbraw/zinc/35/95/08/1065359508.db2.gz LDUWUUILZFBCJL-NQIIRXRSSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001492273901 1065367308 /nfs/dbraw/zinc/36/73/08/1065367308.db2.gz OZWJKCIZRXZCTC-HSZRJFAPSA-N 1 1 484.645 3.121 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492274104 1065368563 /nfs/dbraw/zinc/36/85/63/1065368563.db2.gz UPTFRLHOOAECNL-HSZRJFAPSA-N 1 1 497.688 3.034 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)C2)nc1 ZINC001492277182 1065371971 /nfs/dbraw/zinc/37/19/71/1065371971.db2.gz VDPPJVKJIYAXHU-FGZHOGPDSA-N 1 1 497.688 3.491 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492284077 1065377003 /nfs/dbraw/zinc/37/70/03/1065377003.db2.gz PYEQVGNERNOQSK-NRFANRHFSA-N 1 1 481.645 3.018 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccco3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001492323998 1065396708 /nfs/dbraw/zinc/39/67/08/1065396708.db2.gz ZUTPTEKOGGLMPK-UHFFFAOYSA-N 1 1 452.603 3.421 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3nccs3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001492325224 1065397491 /nfs/dbraw/zinc/39/74/91/1065397491.db2.gz JWNDBUVUVUDQHN-UHFFFAOYSA-N 1 1 456.616 3.369 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001492325531 1065397508 /nfs/dbraw/zinc/39/75/08/1065397508.db2.gz OBRKIMMANNSATB-LJQANCHMSA-N 1 1 488.036 3.157 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001492326034 1065398244 /nfs/dbraw/zinc/39/82/44/1065398244.db2.gz VJQYXTVICAFQAK-QHCPKHFHSA-N 1 1 468.602 3.455 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492336569 1065403569 /nfs/dbraw/zinc/40/35/69/1065403569.db2.gz BLYDYQAWTPLKIV-QUCCMNQESA-N 1 1 483.535 3.249 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)cc1C ZINC001492337786 1065405396 /nfs/dbraw/zinc/40/53/96/1065405396.db2.gz JCKIMTCTPMGLGJ-OAQYLSRUSA-N 1 1 468.646 3.263 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001492354068 1065418185 /nfs/dbraw/zinc/41/81/85/1065418185.db2.gz VPRVBDVYDJVJLV-SANMLTNESA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001492359298 1065420610 /nfs/dbraw/zinc/42/06/10/1065420610.db2.gz IZHLXSOCPPUHPL-OAQYLSRUSA-N 1 1 490.599 3.344 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CC(=O)N(C)C)cc1 ZINC001492369726 1065430333 /nfs/dbraw/zinc/43/03/33/1065430333.db2.gz APEXNZRCZBVSTR-YADHBBJMSA-N 1 1 468.646 3.345 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492370823 1065433502 /nfs/dbraw/zinc/43/35/02/1065433502.db2.gz LZHXXOOWCHQVGE-GIWBLDEGSA-N 1 1 489.686 3.299 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001492377619 1065441629 /nfs/dbraw/zinc/44/16/29/1065441629.db2.gz SINRNQGTKBZDEB-UHFFFAOYSA-N 1 1 477.535 3.445 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001492384884 1065452146 /nfs/dbraw/zinc/45/21/46/1065452146.db2.gz LNDGKKWPBWOSFM-OAQYLSRUSA-N 1 1 479.629 3.454 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492385616 1065453710 /nfs/dbraw/zinc/45/37/10/1065453710.db2.gz SFFLPEDJDNMRSB-UHFFFAOYSA-N 1 1 478.645 3.321 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@H+](C)C2CCCCC2)cc1C ZINC001492347064 1065462609 /nfs/dbraw/zinc/46/26/09/1065462609.db2.gz QHGJYFKLTLASGZ-FQEVSTJZSA-N 1 1 454.619 3.050 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492392423 1065464301 /nfs/dbraw/zinc/46/43/01/1065464301.db2.gz YIZDBGYOZVOATA-NRFANRHFSA-N 1 1 454.619 3.015 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001492392758 1065465163 /nfs/dbraw/zinc/46/51/63/1065465163.db2.gz JKZLJYKWKZYWMB-VXKWHMMOSA-N 1 1 471.646 3.324 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001492393361 1065466096 /nfs/dbraw/zinc/46/60/96/1065466096.db2.gz LOEJVYFYLWVSNM-RPWUZVMVSA-N 1 1 471.646 3.384 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001492395423 1065467700 /nfs/dbraw/zinc/46/77/00/1065467700.db2.gz SHDDFEUYIIWNBK-CLJLJLNGSA-N 1 1 471.646 3.182 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001492401064 1065469982 /nfs/dbraw/zinc/46/99/82/1065469982.db2.gz LFZUAHNUYWSOPU-SZPZYZBQSA-N 1 1 489.686 3.158 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492402060 1065471645 /nfs/dbraw/zinc/47/16/45/1065471645.db2.gz REVFYFDXFONNGL-HSZRJFAPSA-N 1 1 467.618 3.126 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492409985 1065475228 /nfs/dbraw/zinc/47/52/28/1065475228.db2.gz ZUHOBXKHJPMOIM-ZDXQCDESSA-N 1 1 471.646 3.444 20 0 JGADMO Cc1ccc(OCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001492415423 1065477307 /nfs/dbraw/zinc/47/73/07/1065477307.db2.gz AUZLYPKKYAAWHS-QHCPKHFHSA-N 1 1 482.673 3.387 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001492418546 1065479331 /nfs/dbraw/zinc/47/93/31/1065479331.db2.gz IPCLOPIEPKKRGF-UHFFFAOYSA-N 1 1 463.630 3.190 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492418546 1065479341 /nfs/dbraw/zinc/47/93/41/1065479341.db2.gz IPCLOPIEPKKRGF-UHFFFAOYSA-N 1 1 463.630 3.190 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492418546 1065479348 /nfs/dbraw/zinc/47/93/48/1065479348.db2.gz IPCLOPIEPKKRGF-UHFFFAOYSA-N 1 1 463.630 3.190 20 0 JGADMO Cc1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC001492429705 1065488364 /nfs/dbraw/zinc/48/83/64/1065488364.db2.gz LDPIZFSBQXYBMJ-UHFFFAOYSA-N 1 1 468.646 3.345 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492435777 1065490662 /nfs/dbraw/zinc/49/06/62/1065490662.db2.gz ALKWZDKFRDDWHB-UNMCSNQZSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001492391364 1065498244 /nfs/dbraw/zinc/49/82/44/1065498244.db2.gz CZPRHJHQOJOOSL-RUZDIDTESA-N 1 1 484.689 3.300 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCC(=O)NC(C)C)cc1 ZINC001492456684 1065507078 /nfs/dbraw/zinc/50/70/78/1065507078.db2.gz RWOSSJXWPURESJ-RUZDIDTESA-N 1 1 486.686 3.095 20 0 JGADMO O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001300822301 1065549680 /nfs/dbraw/zinc/54/96/80/1065549680.db2.gz WFXBOTZYEMDDFP-UPVQGACJSA-N 1 1 455.624 3.374 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)CC[C@@H]1C ZINC001300822883 1065550364 /nfs/dbraw/zinc/55/03/64/1065550364.db2.gz LEKIELQBDNFWMA-SESVDKBCSA-N 1 1 487.649 3.459 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1C ZINC001300828309 1065557632 /nfs/dbraw/zinc/55/76/32/1065557632.db2.gz XGJJAOJQZILLFH-WIYYLYMNSA-N 1 1 462.038 3.494 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC[C@H]1C ZINC001300828309 1065557641 /nfs/dbraw/zinc/55/76/41/1065557641.db2.gz XGJJAOJQZILLFH-WIYYLYMNSA-N 1 1 462.038 3.494 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2CCOCC2)CC[C@H]1C ZINC001300838895 1065574584 /nfs/dbraw/zinc/57/45/84/1065574584.db2.gz PPIXJOJIVSMBPR-GGAORHGYSA-N 1 1 457.619 3.057 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300840742 1065578524 /nfs/dbraw/zinc/57/85/24/1065578524.db2.gz WNHNZNFSPAHSMM-UNMCSNQZSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300840742 1065578532 /nfs/dbraw/zinc/57/85/32/1065578532.db2.gz WNHNZNFSPAHSMM-UNMCSNQZSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1(C)C ZINC001300842213 1065580334 /nfs/dbraw/zinc/58/03/34/1065580334.db2.gz RHQSWWRZHJPODY-WOJBJXKFSA-N 1 1 475.037 3.218 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@H+]2CCCO)CC[C@@H]1C ZINC001300843343 1065581908 /nfs/dbraw/zinc/58/19/08/1065581908.db2.gz PZHARMXZBQEJLL-WPFOTENUSA-N 1 1 471.646 3.182 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1(C)C ZINC001300844105 1065584167 /nfs/dbraw/zinc/58/41/67/1065584167.db2.gz QWBMKRVFGGUZDV-XQBPLPMBSA-N 1 1 457.667 3.369 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001300845701 1065587982 /nfs/dbraw/zinc/58/79/82/1065587982.db2.gz VMWZVYGHSNZNKS-IEBWSBKVSA-N 1 1 460.648 3.005 20 0 JGADMO CO[C@H]1COCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300865053 1065628101 /nfs/dbraw/zinc/62/81/01/1065628101.db2.gz KDBCNTQXUNXGSN-GGAORHGYSA-N 1 1 492.064 3.121 20 0 JGADMO C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001300874320 1065651914 /nfs/dbraw/zinc/65/19/14/1065651914.db2.gz ONRQROMMKKXWGW-MJGOQNOKSA-N 1 1 452.393 3.398 20 0 JGADMO COCC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001300881061 1065666152 /nfs/dbraw/zinc/66/61/52/1065666152.db2.gz STFYTOAICHBFIB-UHFFFAOYSA-N 1 1 482.673 3.412 20 0 JGADMO COCC(C)(C)CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001300927199 1065725987 /nfs/dbraw/zinc/72/59/87/1065725987.db2.gz SDPWVFZOXDTCKP-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC(C)(C)CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001300927199 1065725999 /nfs/dbraw/zinc/72/59/99/1065725999.db2.gz SDPWVFZOXDTCKP-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001300928460 1065727413 /nfs/dbraw/zinc/72/74/13/1065727413.db2.gz DCLXBFGQLJHDBB-XMSQKQJNSA-N 1 1 489.064 3.260 20 0 JGADMO COC[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300954205 1065758714 /nfs/dbraw/zinc/75/87/14/1065758714.db2.gz VVRRQSFBVXKJCH-UXHICEINSA-N 1 1 485.608 3.286 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300961511 1065770197 /nfs/dbraw/zinc/77/01/97/1065770197.db2.gz LJNUESGRJVDTCL-FUHIMQAGSA-N 1 1 478.435 3.147 20 0 JGADMO COC[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300968221 1065777272 /nfs/dbraw/zinc/77/72/72/1065777272.db2.gz XSRTZNASGPETRT-AQNXPRMDSA-N 1 1 454.619 3.265 20 0 JGADMO COC[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300968221 1065777286 /nfs/dbraw/zinc/77/72/86/1065777286.db2.gz XSRTZNASGPETRT-AQNXPRMDSA-N 1 1 454.619 3.265 20 0 JGADMO COC[C@@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300978093 1065787748 /nfs/dbraw/zinc/78/77/48/1065787748.db2.gz BTLKQEPOQCJKJR-FQEVSTJZSA-N 1 1 453.635 3.356 20 0 JGADMO COC[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001300992496 1065809155 /nfs/dbraw/zinc/80/91/55/1065809155.db2.gz OGCNBBBIMSELJC-ZCNNSNEGSA-N 1 1 462.639 3.307 20 0 JGADMO COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC001301022696 1065857764 /nfs/dbraw/zinc/85/77/64/1065857764.db2.gz FIXACNPTXUAMNX-MZYLBHOOSA-N 1 1 456.635 3.016 20 0 JGADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1 ZINC001301028566 1065866703 /nfs/dbraw/zinc/86/67/03/1065866703.db2.gz UZWXFJVKKGSWDH-HXUWFJFHSA-N 1 1 452.580 3.372 20 0 JGADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1 ZINC001301028566 1065866718 /nfs/dbraw/zinc/86/67/18/1065866718.db2.gz UZWXFJVKKGSWDH-HXUWFJFHSA-N 1 1 452.580 3.372 20 0 JGADMO COC[C@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301043183 1065887599 /nfs/dbraw/zinc/88/75/99/1065887599.db2.gz HOHZGXPVSQQTIP-LJQANCHMSA-N 1 1 461.582 3.402 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001301047746 1065895422 /nfs/dbraw/zinc/89/54/22/1065895422.db2.gz KGRBLJQFVRDGPC-FQEVSTJZSA-N 1 1 457.550 3.470 20 0 JGADMO COC[C@H](F)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001301054586 1065904968 /nfs/dbraw/zinc/90/49/68/1065904968.db2.gz SIJYXRXWJPYRDP-HXUWFJFHSA-N 1 1 470.593 3.272 20 0 JGADMO COC[C@H](F)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301070168 1065922181 /nfs/dbraw/zinc/92/21/81/1065922181.db2.gz SUAZCPVUSGAVAD-WOJBJXKFSA-N 1 1 480.629 3.052 20 0 JGADMO COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001301077506 1065926742 /nfs/dbraw/zinc/92/67/42/1065926742.db2.gz QKNBGTVNARFAPE-VAMGGRTRSA-N 1 1 492.665 3.345 20 0 JGADMO COC[C@H](F)Cn1c(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccc2)CCO3)nnc1C(C)(C)C ZINC001301083317 1065933867 /nfs/dbraw/zinc/93/38/67/1065933867.db2.gz USCAOFNRKJNFFK-BWKNWUBXSA-N 1 1 459.610 3.432 20 0 JGADMO COC[C@H](F)Cn1c(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)nnc1C(C)(C)C ZINC001301083317 1065933874 /nfs/dbraw/zinc/93/38/74/1065933874.db2.gz USCAOFNRKJNFFK-BWKNWUBXSA-N 1 1 459.610 3.432 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001301089840 1065939576 /nfs/dbraw/zinc/93/95/76/1065939576.db2.gz CSPAMDQLLVBOFK-LJQANCHMSA-N 1 1 463.026 3.093 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001301092807 1065941498 /nfs/dbraw/zinc/94/14/98/1065941498.db2.gz RSYOGFSAJAVDBD-JOCHJYFZSA-N 1 1 498.672 3.149 20 0 JGADMO COCC1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001301096534 1065943566 /nfs/dbraw/zinc/94/35/66/1065943566.db2.gz IRYRXADFHZHBOQ-IBGZPJMESA-N 1 1 477.600 3.368 20 0 JGADMO C[C@@H]1OCCN(C(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)[C@@H]1C(F)(F)F ZINC001301104558 1065950908 /nfs/dbraw/zinc/95/09/08/1065950908.db2.gz RBHZSIGHTDSIGZ-JQHSSLGASA-N 1 1 459.509 3.190 20 0 JGADMO COCC1(CCn2c(N3C[C@H]([NH+]4CCN(C(C)=O)CC4)[C@@H](C)C3)nnc2C(C)(C)C)CCCC1 ZINC001301116258 1065960064 /nfs/dbraw/zinc/96/00/64/1065960064.db2.gz KXYFHIFHDZRFTB-UNMCSNQZSA-N 1 1 474.694 3.161 20 0 JGADMO CSCC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)c1nn[nH]n1 ZINC001301160333 1065996063 /nfs/dbraw/zinc/99/60/63/1065996063.db2.gz CVBNJDYZXRUQRX-ZFGGDYGUSA-N 1 1 450.612 3.200 20 0 JGADMO CSCC[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)c1nn[nH]n1 ZINC001301160333 1065996074 /nfs/dbraw/zinc/99/60/74/1065996074.db2.gz CVBNJDYZXRUQRX-ZFGGDYGUSA-N 1 1 450.612 3.200 20 0 JGADMO COCc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001301165010 1066001010 /nfs/dbraw/zinc/00/10/10/1066001010.db2.gz SVBVFTDDIASLSL-UHFFFAOYSA-N 1 1 464.614 3.006 20 0 JGADMO COCc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001301165010 1066001020 /nfs/dbraw/zinc/00/10/20/1066001020.db2.gz SVBVFTDDIASLSL-UHFFFAOYSA-N 1 1 464.614 3.006 20 0 JGADMO COCc1cccc(Cn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001301169263 1066004103 /nfs/dbraw/zinc/00/41/03/1066004103.db2.gz YGKALBFDMFAYQB-BGYRXZFFSA-N 1 1 452.603 3.024 20 0 JGADMO COCc1cccc(Cn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001301169263 1066004112 /nfs/dbraw/zinc/00/41/12/1066004112.db2.gz YGKALBFDMFAYQB-BGYRXZFFSA-N 1 1 452.603 3.024 20 0 JGADMO COCc1cccc(Cn2c(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)c1 ZINC001301172624 1066006682 /nfs/dbraw/zinc/00/66/82/1066006682.db2.gz XPMJONSNEHHIHW-XMMPIXPASA-N 1 1 484.689 3.002 20 0 JGADMO COCC1=CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001301184452 1066013794 /nfs/dbraw/zinc/01/37/94/1066013794.db2.gz LWPXUGIOFYWTGU-UHFFFAOYSA-N 1 1 477.556 3.440 20 0 JGADMO COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301185748 1066015743 /nfs/dbraw/zinc/01/57/43/1066015743.db2.gz SPQLUOLKBAPHRP-JOCHJYFZSA-N 1 1 487.670 3.252 20 0 JGADMO COCC1=CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001301194458 1066021478 /nfs/dbraw/zinc/02/14/78/1066021478.db2.gz NSXYJAFQSUJQGN-FQEVSTJZSA-N 1 1 457.594 3.292 20 0 JGADMO Cc1cc(C(=O)NC(C)(C)CC[NH+]2CCOCC2)c(I)cc1Cl ZINC001301210679 1066034657 /nfs/dbraw/zinc/03/46/57/1066034657.db2.gz CGTDCUYURJCTCL-UHFFFAOYSA-N 1 1 450.748 3.484 20 0 JGADMO CC(C)(CC[NH+]1CCOCC1)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001301210830 1066035006 /nfs/dbraw/zinc/03/50/06/1066035006.db2.gz FHOYFVMYQFKDBC-UHFFFAOYSA-N 1 1 455.521 3.175 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001301228669 1066047678 /nfs/dbraw/zinc/04/76/78/1066047678.db2.gz UHFHZHONOHWMGM-OAQYLSRUSA-N 1 1 460.667 3.422 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001301253198 1066069539 /nfs/dbraw/zinc/06/95/39/1066069539.db2.gz ZFWSEETYSFAJSS-IDISGSTGSA-N 1 1 485.673 3.474 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001301256938 1066071232 /nfs/dbraw/zinc/07/12/32/1066071232.db2.gz SNJZWXOENJRQGX-HXUWFJFHSA-N 1 1 456.635 3.168 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001301261025 1066076027 /nfs/dbraw/zinc/07/60/27/1066076027.db2.gz IJDGKQPDMGZRCF-HZPDHXFCSA-N 1 1 465.440 3.392 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301265306 1066081399 /nfs/dbraw/zinc/08/13/99/1066081399.db2.gz KVXDPEIOPCLLJC-HBMCJLEFSA-N 1 1 457.619 3.316 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001301281979 1066090255 /nfs/dbraw/zinc/09/02/55/1066090255.db2.gz FSWHOPDMMKQIQC-LJQANCHMSA-N 1 1 464.010 3.096 20 0 JGADMO COC[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001301281978 1066090380 /nfs/dbraw/zinc/09/03/80/1066090380.db2.gz FSWHOPDMMKQIQC-IBGZPJMESA-N 1 1 464.010 3.096 20 0 JGADMO COC[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001301287629 1066095421 /nfs/dbraw/zinc/09/54/21/1066095421.db2.gz SXRSRGYFARXESD-HXUWFJFHSA-N 1 1 454.619 3.494 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001301293258 1066098265 /nfs/dbraw/zinc/09/82/65/1066098265.db2.gz GJXUSDGEZOSFJI-NQIIRXRSSA-N 1 1 479.572 3.376 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301296696 1066101780 /nfs/dbraw/zinc/10/17/80/1066101780.db2.gz YNSSDBSFWPAZPF-INIZCTEOSA-N 1 1 496.425 3.430 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301296696 1066101786 /nfs/dbraw/zinc/10/17/86/1066101786.db2.gz YNSSDBSFWPAZPF-INIZCTEOSA-N 1 1 496.425 3.430 20 0 JGADMO COC[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCOCC2)C1 ZINC001301298048 1066104644 /nfs/dbraw/zinc/10/46/44/1066104644.db2.gz QVPGOKICHGGEPE-VXKWHMMOSA-N 1 1 457.619 3.230 20 0 JGADMO COC[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301342653 1066132718 /nfs/dbraw/zinc/13/27/18/1066132718.db2.gz GNLLEVSLIWWDHB-SFTDATJTSA-N 1 1 457.619 3.459 20 0 JGADMO COC[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301342777 1066133117 /nfs/dbraw/zinc/13/31/17/1066133117.db2.gz IHRVSCOHUCSPSA-FQEVSTJZSA-N 1 1 459.660 3.462 20 0 JGADMO COC[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301342777 1066133121 /nfs/dbraw/zinc/13/31/21/1066133121.db2.gz IHRVSCOHUCSPSA-FQEVSTJZSA-N 1 1 459.660 3.462 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001301360461 1066153341 /nfs/dbraw/zinc/15/33/41/1066153341.db2.gz KWAGHBVITHQYLQ-MZKRTTBSSA-N 1 1 471.646 3.203 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001301360461 1066153343 /nfs/dbraw/zinc/15/33/43/1066153343.db2.gz KWAGHBVITHQYLQ-MZKRTTBSSA-N 1 1 471.646 3.203 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC001301360647 1066153378 /nfs/dbraw/zinc/15/33/78/1066153378.db2.gz TZWNKSQQYVSOTM-YRNRMSPPSA-N 1 1 465.545 3.269 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001301360408 1066153391 /nfs/dbraw/zinc/15/33/91/1066153391.db2.gz KBTGDIPZYZQBOH-RUZDIDTESA-N 1 1 498.716 3.368 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)C2)ccn1 ZINC001301364283 1066159949 /nfs/dbraw/zinc/15/99/49/1066159949.db2.gz JGZFQHPXXNZDGM-SONWIMMPSA-N 1 1 468.573 3.260 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001301367743 1066161507 /nfs/dbraw/zinc/16/15/07/1066161507.db2.gz GBSMSOMCRZVOGM-XSYGEPLQSA-N 1 1 493.052 3.121 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001301368144 1066162128 /nfs/dbraw/zinc/16/21/28/1066162128.db2.gz IBUNKYZGSOKPHY-HBFSDRIKSA-N 1 1 496.027 3.479 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001301368688 1066163171 /nfs/dbraw/zinc/16/31/71/1066163171.db2.gz KGMPPDHMDRJGLD-FUHWJXTLSA-N 1 1 482.000 3.089 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001301377537 1066171120 /nfs/dbraw/zinc/17/11/20/1066171120.db2.gz ZNGVMOJJCQGIQB-PZJWPPBQSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301382012 1066172354 /nfs/dbraw/zinc/17/23/54/1066172354.db2.gz BPAKZHYMAMXHBV-SVFBPWRDSA-N 1 1 456.635 3.257 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001301387644 1066174240 /nfs/dbraw/zinc/17/42/40/1066174240.db2.gz KVDQVDVAADHDOI-MQFRRQCYSA-N 1 1 457.619 3.280 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301387516 1066174253 /nfs/dbraw/zinc/17/42/53/1066174253.db2.gz MLFWZAJLYCGLFD-SIKLNZKXSA-N 1 1 459.610 3.370 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301397710 1066178567 /nfs/dbraw/zinc/17/85/67/1066178567.db2.gz SZIMAVKZLIFBQD-BWKNWUBXSA-N 1 1 478.641 3.393 20 0 JGADMO COC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H](C)O1 ZINC001301400689 1066181234 /nfs/dbraw/zinc/18/12/34/1066181234.db2.gz CKQVSWCHPWFAIJ-GBAAUQCPSA-N 1 1 471.646 3.260 20 0 JGADMO COC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H](C)O1 ZINC001301400690 1066181307 /nfs/dbraw/zinc/18/13/07/1066181307.db2.gz CKQVSWCHPWFAIJ-VCHRRKICSA-N 1 1 471.646 3.260 20 0 JGADMO COC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC001301406771 1066189178 /nfs/dbraw/zinc/18/91/78/1066189178.db2.gz MTGCUTSKAJMMAH-FYYLOGMGSA-N 1 1 473.666 3.034 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301410058 1066196580 /nfs/dbraw/zinc/19/65/80/1066196580.db2.gz PKZDXZTWVXFKBN-WIYYLYMNSA-N 1 1 464.010 3.094 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301418613 1066211157 /nfs/dbraw/zinc/21/11/57/1066211157.db2.gz XWVSMHRFOLERDI-AZUAARDMSA-N 1 1 475.659 3.084 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301945034 1066230189 /nfs/dbraw/zinc/23/01/89/1066230189.db2.gz VDOKRIPMAMPKNI-BHIFYINESA-N 1 1 476.710 3.355 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301437241 1066238973 /nfs/dbraw/zinc/23/89/73/1066238973.db2.gz FZPWBWMMULMWMZ-JLDZCNIISA-N 1 1 496.425 3.307 20 0 JGADMO COCC[C@@](C)(O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301455178 1066272282 /nfs/dbraw/zinc/27/22/82/1066272282.db2.gz AAWYADWHQUYCQI-AREMUKBSSA-N 1 1 468.646 3.448 20 0 JGADMO COCC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301460243 1066280975 /nfs/dbraw/zinc/28/09/75/1066280975.db2.gz SXSLHZAGGBPORK-DFBJGRDBSA-N 1 1 475.609 3.094 20 0 JGADMO COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001301460548 1066281555 /nfs/dbraw/zinc/28/15/55/1066281555.db2.gz VKQNISNIJHNEQJ-KJOQGJGQSA-N 1 1 487.693 3.018 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001301984176 1066293401 /nfs/dbraw/zinc/29/34/01/1066293401.db2.gz NJDHOTOWWBDALH-LNRXMEIDSA-N 1 1 471.646 3.363 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001301984176 1066293408 /nfs/dbraw/zinc/29/34/08/1066293408.db2.gz NJDHOTOWWBDALH-LNRXMEIDSA-N 1 1 471.646 3.363 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001301984175 1066293460 /nfs/dbraw/zinc/29/34/60/1066293460.db2.gz NJDHOTOWWBDALH-FNAHDJPLSA-N 1 1 471.646 3.363 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001301984175 1066293471 /nfs/dbraw/zinc/29/34/71/1066293471.db2.gz NJDHOTOWWBDALH-FNAHDJPLSA-N 1 1 471.646 3.363 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001301988497 1066304601 /nfs/dbraw/zinc/30/46/01/1066304601.db2.gz LZFTUNXHYKSNEX-BZUAXINKSA-N 1 1 454.040 3.339 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001301990985 1066310243 /nfs/dbraw/zinc/31/02/43/1066310243.db2.gz MERLPQUJWWLFPO-RZUBCFFCSA-N 1 1 484.670 3.096 20 0 JGADMO COCCc1noc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001301502154 1066328309 /nfs/dbraw/zinc/32/83/09/1066328309.db2.gz YUIVOXSWPBDQHM-ZCNNSNEGSA-N 1 1 489.665 3.137 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccc(Cl)cc1OC ZINC001301999458 1066331235 /nfs/dbraw/zinc/33/12/35/1066331235.db2.gz NIEBPASHIWYNFH-QKLQHJQFSA-N 1 1 464.010 3.385 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302001202 1066335787 /nfs/dbraw/zinc/33/57/87/1066335787.db2.gz HOIGIUWVRHELBI-XQBPLPMBSA-N 1 1 459.660 3.153 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302002087 1066337664 /nfs/dbraw/zinc/33/76/64/1066337664.db2.gz ZCLIBGSVXLEERJ-VQIMIIECSA-N 1 1 487.567 3.367 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001302004066 1066340130 /nfs/dbraw/zinc/34/01/30/1066340130.db2.gz QRPGZALJVRKQEI-SQNIBIBYSA-N 1 1 496.077 3.253 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001302004064 1066340242 /nfs/dbraw/zinc/34/02/42/1066340242.db2.gz QRPGZALJVRKQEI-KURKYZTESA-N 1 1 496.077 3.253 20 0 JGADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302009418 1066352293 /nfs/dbraw/zinc/35/22/93/1066352293.db2.gz VCGSAJKUCXUICF-YADHBBJMSA-N 1 1 474.694 3.304 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1Cc1cnn(C)c1C ZINC001302011739 1066354979 /nfs/dbraw/zinc/35/49/79/1066354979.db2.gz HHAOBXDPWBMIIW-IFMALSPDSA-N 1 1 481.645 3.193 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1Cc1cnn(C)c1C ZINC001302011742 1066355035 /nfs/dbraw/zinc/35/50/35/1066355035.db2.gz HHAOBXDPWBMIIW-UNMCSNQZSA-N 1 1 481.645 3.193 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001302012928 1066357751 /nfs/dbraw/zinc/35/77/51/1066357751.db2.gz LSBTUPIFGDZJNH-PCCBWWKXSA-N 1 1 457.619 3.117 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001302012925 1066357945 /nfs/dbraw/zinc/35/79/45/1066357945.db2.gz LSBTUPIFGDZJNH-NJDAHSKKSA-N 1 1 457.619 3.117 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(Cl)cc1F ZINC001302015830 1066363628 /nfs/dbraw/zinc/36/36/28/1066363628.db2.gz VTBWAWAFOLTVMF-HXOBKFHXSA-N 1 1 482.000 3.144 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C)=C(Br)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302016410 1066364246 /nfs/dbraw/zinc/36/42/46/1066364246.db2.gz WHGNUJPJONKAEQ-SJORKVTESA-N 1 1 479.423 3.340 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@@H]1CC1(C)C ZINC001302023428 1066378950 /nfs/dbraw/zinc/37/89/50/1066378950.db2.gz GNEKPLRTODMMGA-SFTDATJTSA-N 1 1 462.683 3.043 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CCCSC1 ZINC001302023995 1066379819 /nfs/dbraw/zinc/37/98/19/1066379819.db2.gz KRUHGJKQERPHEU-OQLXKQOESA-N 1 1 495.734 3.471 20 0 JGADMO CC(C)Cc1ncc(C(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)s1 ZINC001301552120 1066380165 /nfs/dbraw/zinc/38/01/65/1066380165.db2.gz VUGJHSVEIHTOFF-UHFFFAOYSA-N 1 1 455.628 3.037 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(F)cc1 ZINC001302025161 1066382670 /nfs/dbraw/zinc/38/26/70/1066382670.db2.gz QOUWIRHLVCVEEG-OAQYLSRUSA-N 1 1 488.652 3.184 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302026659 1066387184 /nfs/dbraw/zinc/38/71/84/1066387184.db2.gz HXUXZDXLWCBYQW-CABCVRRESA-N 1 1 455.390 3.361 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3ccccc3CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302042101 1066417782 /nfs/dbraw/zinc/41/77/82/1066417782.db2.gz PJKYBLLWWLMHLO-FCHUYYIVSA-N 1 1 471.646 3.108 20 0 JGADMO COCCCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301591196 1066429679 /nfs/dbraw/zinc/42/96/79/1066429679.db2.gz WIZNKCULJLYECY-QFIPXVFZSA-N 1 1 450.587 3.104 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302052955 1066443021 /nfs/dbraw/zinc/44/30/21/1066443021.db2.gz GQMLFAXGONEXHY-URVUXULASA-N 1 1 490.693 3.150 20 0 JGADMO COCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001301607091 1066452917 /nfs/dbraw/zinc/45/29/17/1066452917.db2.gz HWVZNGVWJNOLRL-QRVBRYPASA-N 1 1 473.622 3.296 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001301606987 1066453017 /nfs/dbraw/zinc/45/30/17/1066453017.db2.gz GHMVZLVCACTBNW-UHFFFAOYSA-N 1 1 498.031 3.123 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001301607521 1066454141 /nfs/dbraw/zinc/45/41/41/1066454141.db2.gz NNVLXRUICRQTRP-BEFAXECRSA-N 1 1 481.439 3.008 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001301607511 1066454263 /nfs/dbraw/zinc/45/42/63/1066454263.db2.gz NJOWFKMGWFNSPE-UHFFFAOYSA-N 1 1 498.603 3.306 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC1=CCCOC1 ZINC001302057551 1066455107 /nfs/dbraw/zinc/45/51/07/1066455107.db2.gz YMHZKTDPSCPSBN-BDTNDASRSA-N 1 1 461.651 3.440 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001301607760 1066455251 /nfs/dbraw/zinc/45/52/51/1066455251.db2.gz QEDDRQCTRWAIOY-JOCHJYFZSA-N 1 1 496.425 3.432 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001301608262 1066455711 /nfs/dbraw/zinc/45/57/11/1066455711.db2.gz YPEIFEMJLWAXFR-VQIMIIECSA-N 1 1 471.524 3.078 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001301608660 1066455847 /nfs/dbraw/zinc/45/58/47/1066455847.db2.gz BZMYAUTUNVWUDA-JOCHJYFZSA-N 1 1 454.550 3.025 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001301610094 1066457620 /nfs/dbraw/zinc/45/76/20/1066457620.db2.gz MPXSXWAJFLTTLE-UHFFFAOYSA-N 1 1 480.535 3.288 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001301610456 1066457696 /nfs/dbraw/zinc/45/76/96/1066457696.db2.gz PGAFZHXGANTEIO-NRFANRHFSA-N 1 1 497.688 3.092 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001301612732 1066461210 /nfs/dbraw/zinc/46/12/10/1066461210.db2.gz GGCNHCORRXWMAM-UHFFFAOYSA-N 1 1 472.609 3.006 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302063206 1066461325 /nfs/dbraw/zinc/46/13/25/1066461325.db2.gz FJIGOIBMJHSDOW-LJQANCHMSA-N 1 1 481.563 3.084 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302063301 1066461820 /nfs/dbraw/zinc/46/18/20/1066461820.db2.gz IDZUDRVMKJRRIA-UHFFFAOYSA-N 1 1 468.646 3.085 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302063301 1066461826 /nfs/dbraw/zinc/46/18/26/1066461826.db2.gz IDZUDRVMKJRRIA-UHFFFAOYSA-N 1 1 468.646 3.085 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001301613788 1066463190 /nfs/dbraw/zinc/46/31/90/1066463190.db2.gz RCSGEXSLYDWYSO-NRFANRHFSA-N 1 1 494.681 3.324 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCSC2(CCCCC2)C1 ZINC001301613849 1066464023 /nfs/dbraw/zinc/46/40/23/1066464023.db2.gz RZDUCNZAOAUDSM-FQEVSTJZSA-N 1 1 451.681 3.397 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001301614196 1066464486 /nfs/dbraw/zinc/46/44/86/1066464486.db2.gz WJWHQXFLPXWZCQ-UNMCSNQZSA-N 1 1 478.037 3.372 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302066398 1066466726 /nfs/dbraw/zinc/46/67/26/1066466726.db2.gz TUQNOZXQBMLQMV-RQTOMXEWSA-N 1 1 461.651 3.297 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCc1cn2ccccc2n1 ZINC001302066896 1066469446 /nfs/dbraw/zinc/46/94/46/1066469446.db2.gz HHQUSFKIWVMYPQ-HXUWFJFHSA-N 1 1 469.634 3.203 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc2c(c1)CCCO2 ZINC001302068345 1066471964 /nfs/dbraw/zinc/47/19/64/1066471964.db2.gz OUIDLCMBJRHKST-HXUWFJFHSA-N 1 1 457.619 3.296 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001301618830 1066472006 /nfs/dbraw/zinc/47/20/06/1066472006.db2.gz PYVXPIYGGUWILE-OAQYLSRUSA-N 1 1 463.026 3.078 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302077437 1066489426 /nfs/dbraw/zinc/48/94/26/1066489426.db2.gz NSFJXZGPOFBZEF-FYYLOGMGSA-N 1 1 482.673 3.069 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001302077772 1066490045 /nfs/dbraw/zinc/49/00/45/1066490045.db2.gz CLDMZAAZURPLAQ-ZVDOUQERSA-N 1 1 461.632 3.292 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@H]1CC=CCO1 ZINC001302077771 1066490103 /nfs/dbraw/zinc/49/01/03/1066490103.db2.gz CLDMZAAZURPLAQ-SFHLNBCPSA-N 1 1 461.632 3.292 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301631789 1066493435 /nfs/dbraw/zinc/49/34/35/1066493435.db2.gz WNKHFWQDIODWML-MOPGFXCFSA-N 1 1 472.609 3.489 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001302079902 1066494894 /nfs/dbraw/zinc/49/48/94/1066494894.db2.gz ATQKXZHWPBELEQ-DHIUTWEWSA-N 1 1 470.662 3.430 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302080595 1066497376 /nfs/dbraw/zinc/49/73/76/1066497376.db2.gz SQMKVOLEGDMOGH-VQTJNVASSA-N 1 1 494.681 3.180 20 0 JGADMO COCCCn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001301637048 1066500842 /nfs/dbraw/zinc/50/08/42/1066500842.db2.gz JOMLKTYQZPQEHV-WMZHIEFXSA-N 1 1 467.618 3.243 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301637620 1066501080 /nfs/dbraw/zinc/50/10/80/1066501080.db2.gz DJMGETAQEIHNAP-YKSBVNFPSA-N 1 1 468.646 3.487 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301641446 1066505627 /nfs/dbraw/zinc/50/56/27/1066505627.db2.gz KIJVPZKTAVKMGV-NRFANRHFSA-N 1 1 467.662 3.223 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301644237 1066508753 /nfs/dbraw/zinc/50/87/53/1066508753.db2.gz JXWMAMNNQFBQRF-AUSIDOKSSA-N 1 1 454.619 3.097 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301644238 1066508870 /nfs/dbraw/zinc/50/88/70/1066508870.db2.gz JXWMAMNNQFBQRF-WMZHIEFXSA-N 1 1 454.619 3.097 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H]1OCCC1(C)C ZINC001302088728 1066514409 /nfs/dbraw/zinc/51/44/09/1066514409.db2.gz GOSSHNFJJZPSMD-AZUAARDMSA-N 1 1 463.648 3.201 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H]1OCCC1(C)C ZINC001302088731 1066514440 /nfs/dbraw/zinc/51/44/40/1066514440.db2.gz GOSSHNFJJZPSMD-UYAOXDASSA-N 1 1 463.648 3.201 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1cccc(O)c1 ZINC001302090626 1066517710 /nfs/dbraw/zinc/51/77/10/1066517710.db2.gz WHIJXGXRGUPRCV-GOSISDBHSA-N 1 1 457.600 3.140 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302090809 1066518204 /nfs/dbraw/zinc/51/82/04/1066518204.db2.gz HAXHQBUTJHOXHM-CVEARBPZSA-N 1 1 488.580 3.395 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCc1nc(C)c(C)s1 ZINC001302091925 1066520016 /nfs/dbraw/zinc/52/00/16/1066520016.db2.gz HBWAATAYINQTSK-PKOBYXMFSA-N 1 1 492.690 3.008 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302093909 1066521951 /nfs/dbraw/zinc/52/19/51/1066521951.db2.gz XZGWFWBDYRHXTG-AEFFLSMTSA-N 1 1 499.582 3.358 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001302095818 1066525762 /nfs/dbraw/zinc/52/57/62/1066525762.db2.gz XJHZKFLDGKXFLV-KHCICDEESA-N 1 1 477.675 3.282 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CC=CCC1 ZINC001302096854 1066528171 /nfs/dbraw/zinc/52/81/71/1066528171.db2.gz WEXRVHCXUFUGGI-YADHBBJMSA-N 1 1 453.631 3.494 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301659622 1066528817 /nfs/dbraw/zinc/52/88/17/1066528817.db2.gz FQHVTDJSFHWQSY-SGIRGMQISA-N 1 1 466.674 3.488 20 0 JGADMO CC(C)(C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001302097238 1066529516 /nfs/dbraw/zinc/52/95/16/1066529516.db2.gz UBVQVTXTZLBJIT-IBGZPJMESA-N 1 1 467.536 3.224 20 0 JGADMO CC(C)(C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001302097238 1066529525 /nfs/dbraw/zinc/52/95/25/1066529525.db2.gz UBVQVTXTZLBJIT-IBGZPJMESA-N 1 1 467.536 3.224 20 0 JGADMO CC(C)(C)c1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1CCC[NH+]1CCOCC1 ZINC001302098285 1066530293 /nfs/dbraw/zinc/53/02/93/1066530293.db2.gz GELNTTDVKFIKGD-HXUWFJFHSA-N 1 1 479.572 3.477 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001302098432 1066530672 /nfs/dbraw/zinc/53/06/72/1066530672.db2.gz PMCCERLCEOCLJA-KZNAEPCWSA-N 1 1 463.545 3.034 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001301660983 1066531527 /nfs/dbraw/zinc/53/15/27/1066531527.db2.gz NVDPQBASKGXCMO-DEOSSOPVSA-N 1 1 482.673 3.258 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001302108997 1066546495 /nfs/dbraw/zinc/54/64/95/1066546495.db2.gz SDHQNNNQBONCPN-WOIUINJBSA-N 1 1 461.582 3.203 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302109035 1066546893 /nfs/dbraw/zinc/54/68/93/1066546893.db2.gz SUKFNDGRBFEDKW-UGKGYDQZSA-N 1 1 476.021 3.495 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302118944 1066559310 /nfs/dbraw/zinc/55/93/10/1066559310.db2.gz MBPXDECDDTZBOU-CEMLEFRQSA-N 1 1 475.609 3.055 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302118944 1066559319 /nfs/dbraw/zinc/55/93/19/1066559319.db2.gz MBPXDECDDTZBOU-CEMLEFRQSA-N 1 1 475.609 3.055 20 0 JGADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC001301681564 1066564553 /nfs/dbraw/zinc/56/45/53/1066564553.db2.gz NOTPMWYCBBOAHA-JOCHJYFZSA-N 1 1 455.356 3.101 20 0 JGADMO COCCOC1(Cn2c(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)CCOCC1 ZINC001302129516 1066572461 /nfs/dbraw/zinc/57/24/61/1066572461.db2.gz CWZJTCWNJYHMMQ-QHCPKHFHSA-N 1 1 485.673 3.499 20 0 JGADMO CC(=O)N1CCC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001301688940 1066576237 /nfs/dbraw/zinc/57/62/37/1066576237.db2.gz ZEUXYHARHLUKJM-FQEVSTJZSA-N 1 1 474.600 3.326 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001302133550 1066579087 /nfs/dbraw/zinc/57/90/87/1066579087.db2.gz PHCVQJBJKSFOBT-CLJLJLNGSA-N 1 1 455.647 3.466 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001302135246 1066580696 /nfs/dbraw/zinc/58/06/96/1066580696.db2.gz FTQYOBPUCITIML-HFZDXXHNSA-N 1 1 455.647 3.323 20 0 JGADMO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001301700366 1066589792 /nfs/dbraw/zinc/58/97/92/1066589792.db2.gz XHAGBVJNCZBEGG-XMMPIXPASA-N 1 1 466.674 3.490 20 0 JGADMO COCCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001302142044 1066590734 /nfs/dbraw/zinc/59/07/34/1066590734.db2.gz QYOGNCQPWMPCEF-UHFFFAOYSA-N 1 1 481.645 3.134 20 0 JGADMO COCCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001302142371 1066591612 /nfs/dbraw/zinc/59/16/12/1066591612.db2.gz UFUAZPHVGHPSIS-UNMCSNQZSA-N 1 1 471.646 3.097 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301703839 1066592371 /nfs/dbraw/zinc/59/23/71/1066592371.db2.gz IGFYGMXQDSMLOQ-FCHUYYIVSA-N 1 1 468.646 3.345 20 0 JGADMO CC(=O)N1CCCN(c2nnc(CCCc3ccccc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001301705905 1066595633 /nfs/dbraw/zinc/59/56/33/1066595633.db2.gz QGNANCRGDSXLMF-UHFFFAOYSA-N 1 1 452.647 3.386 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC(=O)Nc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001301707111 1066597678 /nfs/dbraw/zinc/59/76/78/1066597678.db2.gz BHKPKTKVWUXCNS-GGAORHGYSA-N 1 1 495.672 3.036 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4ccsc4)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301707684 1066598350 /nfs/dbraw/zinc/59/83/50/1066598350.db2.gz FAHBHPJWSSKQIR-REWPJTCUSA-N 1 1 488.702 3.124 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccc4F)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301708326 1066600501 /nfs/dbraw/zinc/60/05/01/1066600501.db2.gz LKBVBWGUEPJBBO-RDPSFJRHSA-N 1 1 486.636 3.278 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301708411 1066600748 /nfs/dbraw/zinc/60/07/48/1066600748.db2.gz MNHNLIFFYNHLEH-WIOPSUGQSA-N 1 1 482.673 3.448 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001301708479 1066601343 /nfs/dbraw/zinc/60/13/43/1066601343.db2.gz NQCRMMOPVZJHDA-YKSBVNFPSA-N 1 1 496.700 3.392 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccsc3)C[C@@H]2C)CC1 ZINC001301708488 1066601436 /nfs/dbraw/zinc/60/14/36/1066601436.db2.gz NVIQPGGEOQJHKF-UGKGYDQZSA-N 1 1 458.676 3.160 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3ccccn3)C[C@H]2C)CC1 ZINC001301708995 1066602166 /nfs/dbraw/zinc/60/21/66/1066602166.db2.gz RCLIPVZCNOTJPL-GGAORHGYSA-N 1 1 496.704 3.143 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302153111 1066605837 /nfs/dbraw/zinc/60/58/37/1066605837.db2.gz WRDDEOUGIVDTII-LEWJYISDSA-N 1 1 475.609 3.073 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCC2)C1 ZINC001301713010 1066610373 /nfs/dbraw/zinc/61/03/73/1066610373.db2.gz IGZCKHBMJUMPRP-UHFFFAOYSA-N 1 1 484.464 3.497 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001301713282 1066610993 /nfs/dbraw/zinc/61/09/93/1066610993.db2.gz KCVURFPJKLUTMX-IBGZPJMESA-N 1 1 488.702 3.301 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C)C1 ZINC001301713359 1066611739 /nfs/dbraw/zinc/61/17/39/1066611739.db2.gz KWNFDLCPLGWTLR-MRXNPFEDSA-N 1 1 453.429 3.251 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001301713709 1066612823 /nfs/dbraw/zinc/61/28/23/1066612823.db2.gz NDLARDBJUMNTHL-BEFAXECRSA-N 1 1 497.427 3.155 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001301713675 1066612837 /nfs/dbraw/zinc/61/28/37/1066612837.db2.gz MFYIPMNJOSZOJW-UHFFFAOYSA-N 1 1 492.068 3.197 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001301713733 1066613703 /nfs/dbraw/zinc/61/37/03/1066613703.db2.gz NUNIWTCLWMLRPM-UHFFFAOYSA-N 1 1 498.941 3.197 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001301714734 1066616702 /nfs/dbraw/zinc/61/67/02/1066616702.db2.gz WVZWBEPTYUJVMK-UHFFFAOYSA-N 1 1 492.546 3.355 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301715582 1066617399 /nfs/dbraw/zinc/61/73/99/1066617399.db2.gz GMLHUAZRUNZDLM-LJQANCHMSA-N 1 1 475.638 3.077 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2OC)nnc1N1CCC=C(Br)C1 ZINC001301716125 1066617954 /nfs/dbraw/zinc/61/79/54/1066617954.db2.gz KFNQSGBVTZVSLI-UHFFFAOYSA-N 1 1 464.408 3.411 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302160868 1066619213 /nfs/dbraw/zinc/61/92/13/1066619213.db2.gz MYUNREXKJGVIQU-UHFFFAOYSA-N 1 1 450.631 3.481 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001301717806 1066619467 /nfs/dbraw/zinc/61/94/67/1066619467.db2.gz VQTAOKMBOYXVDO-QFIPXVFZSA-N 1 1 472.540 3.165 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(F)cc(F)c2C1 ZINC001301721374 1066626759 /nfs/dbraw/zinc/62/67/59/1066626759.db2.gz GQYMHWJBXCYHIN-UHFFFAOYSA-N 1 1 495.372 3.455 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001301723146 1066633521 /nfs/dbraw/zinc/63/35/21/1066633521.db2.gz XDJGFGOMVMYNRB-BZSNNMDCSA-N 1 1 451.612 3.466 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001301723082 1066633547 /nfs/dbraw/zinc/63/35/47/1066633547.db2.gz VIVTYFXNPZRZQD-ROUUACIJSA-N 1 1 495.466 3.257 20 0 JGADMO COCC[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001301723090 1066633606 /nfs/dbraw/zinc/63/36/06/1066633606.db2.gz VOOLCXFXKDVROF-LJQANCHMSA-N 1 1 477.053 3.312 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+](C)C(C)C)[C@H](C)C1 ZINC001301724280 1066636069 /nfs/dbraw/zinc/63/60/69/1066636069.db2.gz DNQLUDNRKMPNMG-CQSZACIVSA-N 1 1 469.453 3.166 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCSC1 ZINC001301725242 1066638929 /nfs/dbraw/zinc/63/89/29/1066638929.db2.gz AEIISSDFXXGYEG-ZDUSSCGKSA-N 1 1 460.467 3.289 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCSC1 ZINC001301725241 1066639046 /nfs/dbraw/zinc/63/90/46/1066639046.db2.gz AEIISSDFXXGYEG-CYBMUJFWSA-N 1 1 460.467 3.289 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001301725721 1066641067 /nfs/dbraw/zinc/64/10/67/1066641067.db2.gz JOGRPCAWGILLJN-PKTZIBPZSA-N 1 1 471.646 3.205 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001301725722 1066641084 /nfs/dbraw/zinc/64/10/84/1066641084.db2.gz JOGRPCAWGILLJN-XZOQPEGZSA-N 1 1 471.646 3.205 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC2(C1)CCOCC2 ZINC001301725971 1066641496 /nfs/dbraw/zinc/64/14/96/1066641496.db2.gz LQEFNVMYAGCCLN-UHFFFAOYSA-N 1 1 484.464 3.354 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001301726077 1066642278 /nfs/dbraw/zinc/64/22/78/1066642278.db2.gz OGCBAKPFIDXXAK-FXAWDEMLSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001301726080 1066642473 /nfs/dbraw/zinc/64/24/73/1066642473.db2.gz OGCBAKPFIDXXAK-YLJYHZDGSA-N 1 1 464.010 3.191 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001302173463 1066644323 /nfs/dbraw/zinc/64/43/23/1066644323.db2.gz KGUFTBPNVKUZNI-UHFFFAOYSA-N 1 1 452.628 3.398 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001301727279 1066644445 /nfs/dbraw/zinc/64/44/45/1066644445.db2.gz AGSIOEPSZCUFSL-UHFFFAOYSA-N 1 1 474.009 3.223 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001301727569 1066645072 /nfs/dbraw/zinc/64/50/72/1066645072.db2.gz FYVOXNLHVKKONJ-GOSISDBHSA-N 1 1 492.462 3.417 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001301727987 1066646431 /nfs/dbraw/zinc/64/64/31/1066646431.db2.gz QKMCZMXYEZMFAK-MRXNPFEDSA-N 1 1 471.524 3.319 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](COC)C1 ZINC001301727970 1066646529 /nfs/dbraw/zinc/64/65/29/1066646529.db2.gz PXFAAWGORLRPRR-QGZVFWFLSA-N 1 1 466.424 3.149 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001301728330 1066647056 /nfs/dbraw/zinc/64/70/56/1066647056.db2.gz ZEZKOGIGZCZSMC-QFIPXVFZSA-N 1 1 452.603 3.323 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001301729836 1066648379 /nfs/dbraw/zinc/64/83/79/1066648379.db2.gz MMVWFQFRXXBTBL-UHFFFAOYSA-N 1 1 487.649 3.002 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 ZINC001301730108 1066648631 /nfs/dbraw/zinc/64/86/31/1066648631.db2.gz PUPOUTPIHAIBJF-UHFFFAOYSA-N 1 1 467.437 3.322 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001301730357 1066649134 /nfs/dbraw/zinc/64/91/34/1066649134.db2.gz VABWUFVJRHBMBU-GHTZIAJQSA-N 1 1 456.616 3.255 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001301732045 1066651381 /nfs/dbraw/zinc/65/13/81/1066651381.db2.gz QDNKJFMQSZVTON-OAHLLOKOSA-N 1 1 476.528 3.060 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001302177050 1066651917 /nfs/dbraw/zinc/65/19/17/1066651917.db2.gz UQDJWBWRLBOVDW-JOCHJYFZSA-N 1 1 455.647 3.443 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302177239 1066652305 /nfs/dbraw/zinc/65/23/05/1066652305.db2.gz MCHQEGYWIKXNAY-JOCHJYFZSA-N 1 1 455.647 3.425 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302177239 1066652310 /nfs/dbraw/zinc/65/23/10/1066652310.db2.gz MCHQEGYWIKXNAY-JOCHJYFZSA-N 1 1 455.647 3.425 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001301733179 1066653423 /nfs/dbraw/zinc/65/34/23/1066653423.db2.gz FPWHVYDWTCYBNU-UHFFFAOYSA-N 1 1 450.027 3.196 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001301734661 1066655934 /nfs/dbraw/zinc/65/59/34/1066655934.db2.gz PSVSBRRNITVMGV-CRAIPNDOSA-N 1 1 475.943 3.257 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001301735800 1066657926 /nfs/dbraw/zinc/65/79/26/1066657926.db2.gz DVAHXISAORYRBG-JOCHJYFZSA-N 1 1 471.646 3.184 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001301735844 1066658195 /nfs/dbraw/zinc/65/81/95/1066658195.db2.gz GCXDRNPYFDKFPW-NRFANRHFSA-N 1 1 459.591 3.226 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001301739532 1066660881 /nfs/dbraw/zinc/66/08/81/1066660881.db2.gz AIRGGGAARSGGPU-RBUKOAKNSA-N 1 1 466.671 3.283 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nnc1C(C)(C)C ZINC001301741680 1066663181 /nfs/dbraw/zinc/66/31/81/1066663181.db2.gz RVEBETAZQUTUHX-UHFFFAOYSA-N 1 1 478.041 3.057 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(OC)cc2C1 ZINC001301741488 1066663249 /nfs/dbraw/zinc/66/32/49/1066663249.db2.gz QFHBWWQNELEIHE-DHIUTWEWSA-N 1 1 471.646 3.346 20 0 JGADMO COc1ccc([C@@H]2CN(C(=O)c3ccnc(Cl)c3I)CC[NH2+]2)cc1 ZINC001302185748 1066664541 /nfs/dbraw/zinc/66/45/41/1066664541.db2.gz WIFLBXBONMOLML-AWEZNQCLSA-N 1 1 457.699 3.135 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301742758 1066665725 /nfs/dbraw/zinc/66/57/25/1066665725.db2.gz CBNNITUDFYQTEY-SFHVURJKSA-N 1 1 460.573 3.080 20 0 JGADMO COCCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)[NH+]1CCOCC1)[C@H]1CC[C@H](C)C1 ZINC001301748250 1066676627 /nfs/dbraw/zinc/67/66/27/1066676627.db2.gz KCGDTQCXNPEJLE-ACRUOGEOSA-N 1 1 457.619 3.316 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccsc2Br)CC1 ZINC001302194602 1066682338 /nfs/dbraw/zinc/68/23/38/1066682338.db2.gz HEGRMSWBXIXXFC-OAHLLOKOSA-N 1 1 481.464 3.412 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001302195200 1066683803 /nfs/dbraw/zinc/68/38/03/1066683803.db2.gz OCWAXHDPVQJUAR-UHFFFAOYSA-N 1 1 460.648 3.008 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001302195995 1066685947 /nfs/dbraw/zinc/68/59/47/1066685947.db2.gz XXCIDYJHOVNLCA-GOSISDBHSA-N 1 1 463.623 3.362 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)CC1 ZINC001302196090 1066686438 /nfs/dbraw/zinc/68/64/38/1066686438.db2.gz ZXYCIBSRYDSBEX-UHFFFAOYSA-N 1 1 471.556 3.185 20 0 JGADMO COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CC[C@H](C)C1 ZINC001301757353 1066690444 /nfs/dbraw/zinc/69/04/44/1066690444.db2.gz LQKBPUCFMPGALV-FNAHDJPLSA-N 1 1 495.734 3.332 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001302199306 1066691516 /nfs/dbraw/zinc/69/15/16/1066691516.db2.gz AXVMQCIYCSQAKM-UHFFFAOYSA-N 1 1 451.681 3.289 20 0 JGADMO COCCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001302199298 1066691594 /nfs/dbraw/zinc/69/15/94/1066691594.db2.gz WTMZLLHNNKWGNU-LJQANCHMSA-N 1 1 478.037 3.199 20 0 JGADMO COCCOC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001302199298 1066691600 /nfs/dbraw/zinc/69/16/00/1066691600.db2.gz WTMZLLHNNKWGNU-LJQANCHMSA-N 1 1 478.037 3.199 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 ZINC001302199793 1066692033 /nfs/dbraw/zinc/69/20/33/1066692033.db2.gz HQSXURZLLXFQLM-FQEVSTJZSA-N 1 1 464.010 3.237 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2Cl)CC1 ZINC001302200690 1066694762 /nfs/dbraw/zinc/69/47/62/1066694762.db2.gz RFRWIGVAOLZBKK-UHFFFAOYSA-N 1 1 475.037 3.444 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CC2)CC1 ZINC001302201058 1066695933 /nfs/dbraw/zinc/69/59/33/1066695933.db2.gz WGSRQZRIURBZPB-UHFFFAOYSA-N 1 1 478.435 3.455 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)c(F)c3F)C[C@@H]2C)CC1 ZINC001301762429 1066700582 /nfs/dbraw/zinc/70/05/82/1066700582.db2.gz ALPBYQRFBKOTJC-LAUBAEHRSA-N 1 1 492.590 3.125 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](C)c3nccs3)C[C@H]2C)CC1 ZINC001301762621 1066701164 /nfs/dbraw/zinc/70/11/64/1066701164.db2.gz CGKGXOIFIHJRKD-QWFCFKBJSA-N 1 1 473.691 3.116 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](C)c3nccs3)C[C@@H]2C)CC1 ZINC001301762619 1066701333 /nfs/dbraw/zinc/70/13/33/1066701333.db2.gz CGKGXOIFIHJRKD-CMKODMSKSA-N 1 1 473.691 3.116 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCOc3cccc(F)c3)C[C@H]2C)CC1 ZINC001301762486 1066701487 /nfs/dbraw/zinc/70/14/87/1066701487.db2.gz BRGAXPPGGPVSCZ-XXBNENTESA-N 1 1 486.636 3.074 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CCC(C)C)CC1 ZINC001301763128 1066702591 /nfs/dbraw/zinc/70/25/91/1066702591.db2.gz CUIPTDSOTNRFFV-UHFFFAOYSA-N 1 1 463.630 3.448 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301763733 1066704295 /nfs/dbraw/zinc/70/42/95/1066704295.db2.gz IJLUDQVYCDBQJD-ROUUACIJSA-N 1 1 489.462 3.354 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)c3nc(C)cs3)C[C@H]2C)CC1 ZINC001301764676 1066705215 /nfs/dbraw/zinc/70/52/15/1066705215.db2.gz JUZWRHBNTWBKLR-LVCYWYKZSA-N 1 1 473.691 3.034 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCOc3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC001301764467 1066705370 /nfs/dbraw/zinc/70/53/70/1066705370.db2.gz JQUZYYIXIOOQDY-XXBNENTESA-N 1 1 489.064 3.198 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3cccc(F)c3)C[C@@H]2C)CC1 ZINC001301764684 1066705958 /nfs/dbraw/zinc/70/59/58/1066705958.db2.gz JUZYGVRAWCLBKH-YCRNBWNJSA-N 1 1 486.636 3.171 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC2CC2)CC1 ZINC001301766102 1066707357 /nfs/dbraw/zinc/70/73/57/1066707357.db2.gz DDZVSXNWFUBHHE-UHFFFAOYSA-N 1 1 451.402 3.262 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001301767123 1066708550 /nfs/dbraw/zinc/70/85/50/1066708550.db2.gz MWZFSNOPAIDVHB-UHFFFAOYSA-N 1 1 484.954 3.383 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCSCC(F)(F)F)C[C@H]2C)CC1 ZINC001301767498 1066709809 /nfs/dbraw/zinc/70/98/09/1066709809.db2.gz QKEYWMOBAGWKKP-AEFFLSMTSA-N 1 1 490.640 3.151 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3Cl)nnc2N2CCC=C(Br)C2)CC1 ZINC001301767650 1066710398 /nfs/dbraw/zinc/71/03/98/1066710398.db2.gz UPDNZERMLLQLMO-UHFFFAOYSA-N 1 1 493.837 3.252 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccc4F)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301767619 1066710528 /nfs/dbraw/zinc/71/05/28/1066710528.db2.gz REBJIMKJRCNBMP-UZLBHIALSA-N 1 1 464.536 3.118 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(F)c(C)c3)C[C@H]2C)CC1 ZINC001301768162 1066711099 /nfs/dbraw/zinc/71/10/99/1066711099.db2.gz SWDJNRGTQKFHEY-GCJKJVERSA-N 1 1 456.610 3.060 20 0 JGADMO CC(C)(C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001302211267 1066711692 /nfs/dbraw/zinc/71/16/92/1066711692.db2.gz ZTLDMWCNIOQGOS-UHFFFAOYSA-N 1 1 479.604 3.030 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CC(F)(F)F)C[C@@H]2C)CC1 ZINC001301768621 1066712280 /nfs/dbraw/zinc/71/22/80/1066712280.db2.gz YAGZCDAKPIUBBY-KBXCAEBGSA-N 1 1 470.927 3.150 20 0 JGADMO COCCN(CC(C)C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301772606 1066716563 /nfs/dbraw/zinc/71/65/63/1066716563.db2.gz OLMIRXTUTBEKHY-QHAWAJNXSA-N 1 1 451.656 3.169 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001301778999 1066727144 /nfs/dbraw/zinc/72/71/44/1066727144.db2.gz YOXKIYNURICGTH-XMMPIXPASA-N 1 1 490.004 3.228 20 0 JGADMO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCCC3(C)C)n2CCC[NH+]2CCOCC2)CC1 ZINC001302221507 1066727477 /nfs/dbraw/zinc/72/74/77/1066727477.db2.gz XQLNERUXCOEMBI-UHFFFAOYSA-N 1 1 476.666 3.494 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001301804728 1066756687 /nfs/dbraw/zinc/75/66/87/1066756687.db2.gz YYFZEGBDQRVDMP-LZBANZJXSA-N 1 1 486.636 3.205 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301807469 1066760998 /nfs/dbraw/zinc/76/09/98/1066760998.db2.gz HHYTUFRSVXJLGM-SAZYNNDCSA-N 1 1 460.667 3.176 20 0 JGADMO COCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC001301811150 1066766639 /nfs/dbraw/zinc/76/66/39/1066766639.db2.gz GWKFSYLGZRSEMH-MHECFPHRSA-N 1 1 451.567 3.141 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001301812616 1066767531 /nfs/dbraw/zinc/76/75/31/1066767531.db2.gz FPMCCIZPCSQPFA-QHCPKHFHSA-N 1 1 495.672 3.374 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C(C)C)CC1 ZINC001301815055 1066770910 /nfs/dbraw/zinc/77/09/10/1066770910.db2.gz ZPNNTHXAZIMLRC-LIKPIUCQSA-N 1 1 462.683 3.420 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301817083 1066774074 /nfs/dbraw/zinc/77/40/74/1066774074.db2.gz AWQPVSQSNFRGDM-HSZRJFAPSA-N 1 1 482.673 3.458 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301817083 1066774083 /nfs/dbraw/zinc/77/40/83/1066774083.db2.gz AWQPVSQSNFRGDM-HSZRJFAPSA-N 1 1 482.673 3.458 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCn2cc[nH+]c2C)C1 ZINC001301817006 1066774263 /nfs/dbraw/zinc/77/42/63/1066774263.db2.gz XHEJEZZGODMSQR-LJQANCHMSA-N 1 1 472.391 3.018 20 0 JGADMO COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001301818004 1066777331 /nfs/dbraw/zinc/77/73/31/1066777331.db2.gz GJHLBUADJVKHCL-FQEVSTJZSA-N 1 1 474.625 3.198 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301818474 1066778636 /nfs/dbraw/zinc/77/86/36/1066778636.db2.gz MNDPDMUFGNSVLD-YJBOKZPZSA-N 1 1 481.428 3.078 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Cl)s2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302250222 1066785632 /nfs/dbraw/zinc/78/56/32/1066785632.db2.gz LALWXQCEFKZTOT-LPHOPBHVSA-N 1 1 484.066 3.464 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Cl)s2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302250222 1066785642 /nfs/dbraw/zinc/78/56/42/1066785642.db2.gz LALWXQCEFKZTOT-LPHOPBHVSA-N 1 1 484.066 3.464 20 0 JGADMO COCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301825829 1066788856 /nfs/dbraw/zinc/78/88/56/1066788856.db2.gz VUCRGXFPPZZESU-GJZGRUSLSA-N 1 1 450.381 3.036 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302253342 1066793411 /nfs/dbraw/zinc/79/34/11/1066793411.db2.gz WUKKQHKDSFLQCV-FQEVSTJZSA-N 1 1 476.666 3.225 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302253342 1066793429 /nfs/dbraw/zinc/79/34/29/1066793429.db2.gz WUKKQHKDSFLQCV-FQEVSTJZSA-N 1 1 476.666 3.225 20 0 JGADMO COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301828228 1066793673 /nfs/dbraw/zinc/79/36/73/1066793673.db2.gz RBYLZHVKDURPSD-UHFFFAOYSA-N 1 1 461.973 3.057 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2F)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302253936 1066794956 /nfs/dbraw/zinc/79/49/56/1066794956.db2.gz PFODTQCQPWRPNQ-QRICJDHISA-N 1 1 475.609 3.277 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301829632 1066795398 /nfs/dbraw/zinc/79/53/98/1066795398.db2.gz PZEOEXRCJOZVAV-DNQXCXABSA-N 1 1 452.647 3.289 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001302254279 1066795890 /nfs/dbraw/zinc/79/58/90/1066795890.db2.gz RAQWDAXWTGLHLK-FQEVSTJZSA-N 1 1 476.666 3.399 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301836745 1066807961 /nfs/dbraw/zinc/80/79/61/1066807961.db2.gz QSGVQFTZGCQODZ-QGZVFWFLSA-N 1 1 492.466 3.261 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[N@H+](C)C(C)C)CC1 ZINC001301841014 1066812571 /nfs/dbraw/zinc/81/25/71/1066812571.db2.gz VVFOLIMZIKPHJR-UHFFFAOYSA-N 1 1 451.575 3.045 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(CCO)Cc2ccccc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302269370 1066827520 /nfs/dbraw/zinc/82/75/20/1066827520.db2.gz PMZDNTDJDZTLBQ-VABKMULXSA-N 1 1 471.646 3.121 20 0 JGADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CNC(=O)c2ccccc2OC)cc1 ZINC001302269264 1066827569 /nfs/dbraw/zinc/82/75/69/1066827569.db2.gz LTMPYRPLQLWGPJ-LOSJGSFVSA-N 1 1 473.573 3.218 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301852036 1066829267 /nfs/dbraw/zinc/82/92/67/1066829267.db2.gz BHHGYVMBEZZWRI-QGZVFWFLSA-N 1 1 493.475 3.384 20 0 JGADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C)Sc2nncn2C)cc1 ZINC001302271441 1066829579 /nfs/dbraw/zinc/82/95/79/1066829579.db2.gz YMZCYNPIUGMZCW-VOQZNFBZSA-N 1 1 451.596 3.089 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301854040 1066832848 /nfs/dbraw/zinc/83/28/48/1066832848.db2.gz SHESNIVIJGHDMV-UYAOXDASSA-N 1 1 474.053 3.466 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302274245 1066835891 /nfs/dbraw/zinc/83/58/91/1066835891.db2.gz USEUVEWNEOCQPV-FSGKZVOOSA-N 1 1 489.583 3.279 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC001301856716 1066838183 /nfs/dbraw/zinc/83/81/83/1066838183.db2.gz JYUPMNRCMLXRDR-UFYCRDLUSA-N 1 1 462.639 3.428 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC001301856716 1066838193 /nfs/dbraw/zinc/83/81/93/1066838193.db2.gz JYUPMNRCMLXRDR-UFYCRDLUSA-N 1 1 462.639 3.428 20 0 JGADMO COCCN1C[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1=O ZINC001301861302 1066847341 /nfs/dbraw/zinc/84/73/41/1066847341.db2.gz URODMIXGWLJQKU-IBGZPJMESA-N 1 1 489.064 3.404 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302282349 1066850905 /nfs/dbraw/zinc/85/09/05/1066850905.db2.gz VUJZKUCEBBLUPE-HXUWFJFHSA-N 1 1 470.618 3.159 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302282349 1066850913 /nfs/dbraw/zinc/85/09/13/1066850913.db2.gz VUJZKUCEBBLUPE-HXUWFJFHSA-N 1 1 470.618 3.159 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301863374 1066851394 /nfs/dbraw/zinc/85/13/94/1066851394.db2.gz HDBPQTIHTDYLKE-NKKJXINNSA-N 1 1 468.646 3.045 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001302283582 1066852728 /nfs/dbraw/zinc/85/27/28/1066852728.db2.gz YJHYSSUPXIRZQH-MJGOQNOKSA-N 1 1 453.587 3.201 20 0 JGADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001302283584 1066852951 /nfs/dbraw/zinc/85/29/51/1066852951.db2.gz YJHYSSUPXIRZQH-PKOBYXMFSA-N 1 1 453.587 3.201 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001302284950 1066855813 /nfs/dbraw/zinc/85/58/13/1066855813.db2.gz UZVHRUFNTFENLD-GMAHTHKFSA-N 1 1 499.660 3.098 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001302286596 1066858668 /nfs/dbraw/zinc/85/86/68/1066858668.db2.gz JYPBRUCLNXTZGP-ZTCOLXNVSA-N 1 1 488.652 3.411 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001302286595 1066858696 /nfs/dbraw/zinc/85/86/96/1066858696.db2.gz JYPBRUCLNXTZGP-OYDLWJJNSA-N 1 1 488.652 3.411 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301867481 1066858954 /nfs/dbraw/zinc/85/89/54/1066858954.db2.gz MUEZDAPJBYSSNM-RTWAWAEBSA-N 1 1 473.691 3.107 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301867483 1066858987 /nfs/dbraw/zinc/85/89/87/1066858987.db2.gz MUEZDAPJBYSSNM-SFTDATJTSA-N 1 1 473.691 3.107 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301867477 1066859003 /nfs/dbraw/zinc/85/90/03/1066859003.db2.gz MUEZDAPJBYSSNM-LEWJYISDSA-N 1 1 473.691 3.107 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C1CC1 ZINC001302286869 1066859258 /nfs/dbraw/zinc/85/92/58/1066859258.db2.gz NPZUIDGYSBQHCS-VQTJNVASSA-N 1 1 490.693 3.426 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001301867809 1066859748 /nfs/dbraw/zinc/85/97/48/1066859748.db2.gz NFJMJDJZWYYNSH-RPBOFIJWSA-N 1 1 482.673 3.120 20 0 JGADMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001301870113 1066860877 /nfs/dbraw/zinc/86/08/77/1066860877.db2.gz YCQUSJJTCFYOSS-FIKGOQFSSA-N 1 1 450.004 3.034 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2cccc(NC(=O)C3CCC3)c2)C[C@H]1C ZINC001301874039 1066873921 /nfs/dbraw/zinc/87/39/21/1066873921.db2.gz FBVYFIMNOXHQTG-LJQANCHMSA-N 1 1 454.619 3.345 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001301873983 1066874073 /nfs/dbraw/zinc/87/40/73/1066874073.db2.gz CPYUINLEPQAAGP-KRWDZBQOSA-N 1 1 484.567 3.311 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001301874778 1066875785 /nfs/dbraw/zinc/87/57/85/1066875785.db2.gz OGTALGSQHRUQEJ-IBGZPJMESA-N 1 1 459.635 3.240 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC001301875198 1066876315 /nfs/dbraw/zinc/87/63/15/1066876315.db2.gz OWDAYWVQAREXTA-FQEVSTJZSA-N 1 1 451.619 3.161 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001301875445 1066877240 /nfs/dbraw/zinc/87/72/40/1066877240.db2.gz QTQLVMDCWNOFAM-SFHVURJKSA-N 1 1 464.655 3.132 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001301875425 1066877487 /nfs/dbraw/zinc/87/74/87/1066877487.db2.gz QRRGLAOTOOHRMF-ZDUSSCGKSA-N 1 1 463.936 3.012 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001301876378 1066878092 /nfs/dbraw/zinc/87/80/92/1066878092.db2.gz UZSLEUPSAUCRPT-IBGZPJMESA-N 1 1 457.623 3.137 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)SC)CC1 ZINC001301877196 1066878781 /nfs/dbraw/zinc/87/87/81/1066878781.db2.gz KBVGXPHMPYKMOJ-KRWDZBQOSA-N 1 1 451.612 3.467 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2cn[nH]c2)C[C@H]1C ZINC001301877749 1066880143 /nfs/dbraw/zinc/88/01/43/1066880143.db2.gz RGYPSNCHLLAHPR-MSOLQXFVSA-N 1 1 474.009 3.194 20 0 JGADMO COCCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001301877739 1066880278 /nfs/dbraw/zinc/88/02/78/1066880278.db2.gz RDALBZQYWLHCOC-UXHICEINSA-N 1 1 474.625 3.198 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCO2)C[C@H]1C ZINC001301878219 1066881649 /nfs/dbraw/zinc/88/16/49/1066881649.db2.gz UYKIJSZHIVGWHO-HJNYFJLDSA-N 1 1 457.619 3.371 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC2CCOCC2)C[C@@H]1C ZINC001301880907 1066887166 /nfs/dbraw/zinc/88/71/66/1066887166.db2.gz AFPJLYSYSBCJLM-IBGZPJMESA-N 1 1 478.037 3.341 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2occc2C)CC1 ZINC001301881979 1066889061 /nfs/dbraw/zinc/88/90/61/1066889061.db2.gz JSWWMXACTXSDSL-UHFFFAOYSA-N 1 1 460.376 3.426 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCn2cc(C)cn2)C[C@H]1C ZINC001301882371 1066889574 /nfs/dbraw/zinc/88/95/74/1066889574.db2.gz OHRLCAICNWMZQL-GOSISDBHSA-N 1 1 488.434 3.070 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001301882356 1066889614 /nfs/dbraw/zinc/88/96/14/1066889614.db2.gz ODGOOTLKQBCGSL-OALUTQOASA-N 1 1 475.037 3.014 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccs2)C[C@H]1C ZINC001301882642 1066890290 /nfs/dbraw/zinc/89/02/90/1066890290.db2.gz QQWLFVQTDFHCFA-OAHLLOKOSA-N 1 1 479.448 3.497 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301882994 1066890813 /nfs/dbraw/zinc/89/08/13/1066890813.db2.gz ITEUNGSUMXMLOS-HXUWFJFHSA-N 1 1 453.635 3.266 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001301883518 1066892311 /nfs/dbraw/zinc/89/23/11/1066892311.db2.gz ZAHIDNMFEYFPTQ-LJQANCHMSA-N 1 1 475.037 3.014 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](OC)C2CC2)C[C@@H]1C ZINC001301885869 1066894837 /nfs/dbraw/zinc/89/48/37/1066894837.db2.gz OCAOSIBKJFLVNQ-JXFKEZNVSA-N 1 1 478.435 3.290 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001301885897 1066895553 /nfs/dbraw/zinc/89/55/53/1066895553.db2.gz OJHSBPWMWYUTEK-IEBWSBKVSA-N 1 1 478.435 3.149 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCCS2)CC1 ZINC001301886113 1066895909 /nfs/dbraw/zinc/89/59/09/1066895909.db2.gz RVYNJTIWHCQUDG-QGZVFWFLSA-N 1 1 496.475 3.380 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2c(C)coc2C)C[C@H]1C ZINC001301886510 1066897796 /nfs/dbraw/zinc/89/77/96/1066897796.db2.gz YDLIPYDALVXBPM-GOSISDBHSA-N 1 1 469.586 3.377 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCCC2)CC1 ZINC001301886643 1066898010 /nfs/dbraw/zinc/89/80/10/1066898010.db2.gz CUPPAWWMDMEFDD-UHFFFAOYSA-N 1 1 454.402 3.325 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2c(C)coc2C)C[C@@H]1C ZINC001301886522 1066898027 /nfs/dbraw/zinc/89/80/27/1066898027.db2.gz YDLIPYDALVXBPM-SFHVURJKSA-N 1 1 469.586 3.377 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001302308509 1066900211 /nfs/dbraw/zinc/90/02/11/1066900211.db2.gz LEHXDBFMGDCHEV-UGKGYDQZSA-N 1 1 492.068 3.107 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[C@@H]2CCOC2)CC1 ZINC001301887647 1066901272 /nfs/dbraw/zinc/90/12/72/1066901272.db2.gz JUSXZYZXQBLMAR-MRXNPFEDSA-N 1 1 454.402 3.447 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCCO2)C[C@@H]1C ZINC001301887835 1066902150 /nfs/dbraw/zinc/90/21/50/1066902150.db2.gz LRYAINURJDUKBE-PKOBYXMFSA-N 1 1 464.010 3.333 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(COC)c2)C[C@H]1C ZINC001301888116 1066902663 /nfs/dbraw/zinc/90/26/63/1066902663.db2.gz MJIBJEYUGOKVMP-GOSISDBHSA-N 1 1 471.005 3.345 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCOC2)C[C@@H]1C ZINC001301888236 1066902969 /nfs/dbraw/zinc/90/29/69/1066902969.db2.gz OVVNASSIOQTWLH-ZWKOTPCHSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCOC2)C[C@H]1C ZINC001301888233 1066903204 /nfs/dbraw/zinc/90/32/04/1066903204.db2.gz OVVNASSIOQTWLH-MSOLQXFVSA-N 1 1 464.010 3.191 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCSCC(C)C ZINC001302310560 1066903526 /nfs/dbraw/zinc/90/35/26/1066903526.db2.gz ARSZDZJKZLMHAH-ACRUOGEOSA-N 1 1 451.681 3.456 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301888788 1066904878 /nfs/dbraw/zinc/90/48/78/1066904878.db2.gz PITCBGNWZGEOTQ-PMACEKPBSA-N 1 1 461.054 3.487 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)OC)C[C@@H]1C ZINC001301889009 1066905755 /nfs/dbraw/zinc/90/57/55/1066905755.db2.gz UNWDFWOOUHBNHX-GJZGRUSLSA-N 1 1 470.387 3.039 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC=C(C)C ZINC001302312085 1066906614 /nfs/dbraw/zinc/90/66/14/1066906614.db2.gz VUMBTDPKUVTUEV-KIHHCIJBSA-N 1 1 474.694 3.353 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2ccco2)CC1 ZINC001301889442 1066907410 /nfs/dbraw/zinc/90/74/10/1066907410.db2.gz YQFPKQKSAGVKNM-UHFFFAOYSA-N 1 1 480.613 3.034 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)c2cccs2)C[C@H]1C ZINC001301890093 1066909441 /nfs/dbraw/zinc/90/94/41/1066909441.db2.gz GTKJTWDWQFEHBV-KOSHJBKYSA-N 1 1 471.627 3.080 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001301892748 1066913891 /nfs/dbraw/zinc/91/38/91/1066913891.db2.gz XAIMZBTWURFPQK-QZTJIDSGSA-N 1 1 478.435 3.149 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](OC)C2CC2)C[C@H]1C ZINC001301892901 1066914112 /nfs/dbraw/zinc/91/41/12/1066914112.db2.gz XCFFMJDGBOTEBI-OXQOHEQNSA-N 1 1 478.435 3.290 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC001301895556 1066916001 /nfs/dbraw/zinc/91/60/01/1066916001.db2.gz FANGUISJLCNPCS-UHFFFAOYSA-N 1 1 479.629 3.085 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001301895225 1066916017 /nfs/dbraw/zinc/91/60/17/1066916017.db2.gz CQYDOLDGKXUEGV-UHFFFAOYSA-N 1 1 476.503 3.098 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001301895856 1066917380 /nfs/dbraw/zinc/91/73/80/1066917380.db2.gz AWJGWALHGJBRJT-GOSISDBHSA-N 1 1 472.540 3.455 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC001301895959 1066917433 /nfs/dbraw/zinc/91/74/33/1066917433.db2.gz LLRFFDLFROXKRS-MRXNPFEDSA-N 1 1 476.503 3.286 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OC(F)(F)F)CC1 ZINC001301895980 1066917514 /nfs/dbraw/zinc/91/75/14/1066917514.db2.gz MCMWTIHTKWZRQK-UHFFFAOYSA-N 1 1 462.476 3.055 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001301896280 1066918732 /nfs/dbraw/zinc/91/87/32/1066918732.db2.gz IAJJLNPGHOJODN-UUOWRZLLSA-N 1 1 471.627 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)Oc2cccc(F)c2)C[C@H]1C ZINC001301896387 1066919343 /nfs/dbraw/zinc/91/93/43/1066919343.db2.gz SGGFLPDRQCZVJO-MOPGFXCFSA-N 1 1 456.566 3.047 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001301896416 1066919564 /nfs/dbraw/zinc/91/95/64/1066919564.db2.gz JFHFUCXGLNFGBB-UHFFFAOYSA-N 1 1 499.990 3.198 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2nc(C(C)C)cs2)CC1 ZINC001301896961 1066920759 /nfs/dbraw/zinc/92/07/59/1066920759.db2.gz RXQHYNBQQCOTNX-UHFFFAOYSA-N 1 1 456.616 3.350 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ncccc2N(C)C)C[C@@H]1C ZINC001301897223 1066921098 /nfs/dbraw/zinc/92/10/98/1066921098.db2.gz UQFSVIFYVDJYMV-SFHVURJKSA-N 1 1 470.021 3.265 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001301898678 1066923103 /nfs/dbraw/zinc/92/31/03/1066923103.db2.gz NKMAPZOYYDCZME-QKNQBKEWSA-N 1 1 487.649 3.076 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001301899728 1066924223 /nfs/dbraw/zinc/92/42/23/1066924223.db2.gz VFVBEJZDFRUUTQ-UHFFFAOYSA-N 1 1 477.535 3.488 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001301900411 1066925383 /nfs/dbraw/zinc/92/53/83/1066925383.db2.gz LCZLIGKAXRQLCO-CPJSRVTESA-N 1 1 456.635 3.137 20 0 JGADMO CC(C)(C)[S@](=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302325917 1066925990 /nfs/dbraw/zinc/92/59/90/1066925990.db2.gz FJUSAKLTKWCXLQ-JGCGQSQUSA-N 1 1 463.623 3.218 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)ccc2SC)CC1 ZINC001301902549 1066927826 /nfs/dbraw/zinc/92/78/26/1066927826.db2.gz XXMBMLNKVVNHFW-UHFFFAOYSA-N 1 1 456.591 3.326 20 0 JGADMO COc1ccc(-c2nc(CC(=O)N3CC[NH+](CCc4ccncc4)CC3)cs2)cc1OC ZINC001301905250 1066930818 /nfs/dbraw/zinc/93/08/18/1066930818.db2.gz BMBQMBUAMFNRIQ-UHFFFAOYSA-N 1 1 452.580 3.152 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301906722 1066931094 /nfs/dbraw/zinc/93/10/94/1066931094.db2.gz FNHWGYRVHJTITA-OALUTQOASA-N 1 1 464.655 3.206 20 0 JGADMO C[NH+]1CCN(Cc2ccc(C(=O)N3CCCCC[C@@H](NC(=O)OC(C)(C)C)C3)s2)CC1 ZINC001302331244 1066931590 /nfs/dbraw/zinc/93/15/90/1066931590.db2.gz RAOJUNZPUYZZOY-GOSISDBHSA-N 1 1 450.649 3.405 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2Cc2c(F)cccc2OC(F)F)C[C@@H]1C ZINC001301907631 1066931679 /nfs/dbraw/zinc/93/16/79/1066931679.db2.gz OIOXCDBEPDYIMX-HNNXBMFYSA-N 1 1 453.509 3.491 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC001301909987 1066934060 /nfs/dbraw/zinc/93/40/60/1066934060.db2.gz AYXIIOZNIPVQBE-VWNXMTODSA-N 1 1 476.710 3.435 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC001301910190 1066934618 /nfs/dbraw/zinc/93/46/18/1066934618.db2.gz USSDPXMDWBOONK-LSDHHAIUSA-N 1 1 459.538 3.068 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+](C)C2CCCC2)CCO1 ZINC001301910615 1066935217 /nfs/dbraw/zinc/93/52/17/1066935217.db2.gz DVEJLRIVUUPYBK-JOCHJYFZSA-N 1 1 486.686 3.095 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C[C@H]1C ZINC001301910835 1066935597 /nfs/dbraw/zinc/93/55/97/1066935597.db2.gz IZKPWTNCMZMKPP-WOJBJXKFSA-N 1 1 466.671 3.183 20 0 JGADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302336711 1066936462 /nfs/dbraw/zinc/93/64/62/1066936462.db2.gz QWJDNWQMAHYOBQ-FQEVSTJZSA-N 1 1 484.645 3.407 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Br)cs2)CC1 ZINC001301911131 1066936794 /nfs/dbraw/zinc/93/67/94/1066936794.db2.gz GQXRPJSAOQBBSC-QGZVFWFLSA-N 1 1 470.437 3.160 20 0 JGADMO CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccsc2)CC1)C(F)(F)F ZINC001302339404 1066937982 /nfs/dbraw/zinc/93/79/82/1066937982.db2.gz WOSVWKUYKVEYMH-OAHLLOKOSA-N 1 1 456.538 3.201 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001301911946 1066938330 /nfs/dbraw/zinc/93/83/30/1066938330.db2.gz OWCJHGOHYICPNQ-INIZCTEOSA-N 1 1 454.541 3.486 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001301912020 1066938366 /nfs/dbraw/zinc/93/83/66/1066938366.db2.gz JTWRYRAXPRMUST-JOCHJYFZSA-N 1 1 457.619 3.275 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC001301912494 1066939265 /nfs/dbraw/zinc/93/92/65/1066939265.db2.gz RWZVNQLWJQWJBY-KRWDZBQOSA-N 1 1 464.010 3.106 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS2)C[C@H]1C ZINC001301913162 1066940905 /nfs/dbraw/zinc/94/09/05/1066940905.db2.gz UTAIOQLWRNOSOK-IAGOWNOFSA-N 1 1 451.587 3.200 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301913297 1066941657 /nfs/dbraw/zinc/94/16/57/1066941657.db2.gz MUDUQELNUXKNBQ-NJYVYQBISA-N 1 1 494.681 3.180 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccsc2)CC1 ZINC001301913349 1066941679 /nfs/dbraw/zinc/94/16/79/1066941679.db2.gz NFUNISXUSCFXMM-HXUWFJFHSA-N 1 1 490.674 3.271 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301913585 1066941720 /nfs/dbraw/zinc/94/17/20/1066941720.db2.gz VHMUCAVNWZPYCJ-SFTDATJTSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301913294 1066941904 /nfs/dbraw/zinc/94/19/04/1066941904.db2.gz MUDUQELNUXKNBQ-ACRUOGEOSA-N 1 1 494.681 3.180 20 0 JGADMO CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301914649 1066944115 /nfs/dbraw/zinc/94/41/15/1066944115.db2.gz QUBZEZWIOSZGLE-ZWOKBUDYSA-N 1 1 461.010 3.271 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccccc2OC(F)F)CC1 ZINC001301916191 1066946310 /nfs/dbraw/zinc/94/63/10/1066946310.db2.gz WOGJUMVLYRPFIW-FQEVSTJZSA-N 1 1 465.545 3.132 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301918340 1066948216 /nfs/dbraw/zinc/94/82/16/1066948216.db2.gz IIXCOIFOOUYEAG-HYBUGGRVSA-N 1 1 498.075 3.377 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccccc2F)C[C@H]1C ZINC001301918302 1066948400 /nfs/dbraw/zinc/94/84/00/1066948400.db2.gz HDBWTSNQZURYEB-UXHICEINSA-N 1 1 468.577 3.027 20 0 JGADMO CC(C)(O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302357786 1066949538 /nfs/dbraw/zinc/94/95/38/1066949538.db2.gz ANCLNCVUESMEAI-IBGZPJMESA-N 1 1 494.681 3.058 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccnc(SC)c2)C[C@H]1C ZINC001301918776 1066949824 /nfs/dbraw/zinc/94/98/24/1066949824.db2.gz CRDHXSSIKISZEP-GOSISDBHSA-N 1 1 470.618 3.330 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(F)cc2C)C[C@H]1C ZINC001301919239 1066950694 /nfs/dbraw/zinc/95/06/94/1066950694.db2.gz PIKMDTAUZSDMAJ-HXUWFJFHSA-N 1 1 452.578 3.111 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC001301919349 1066951589 /nfs/dbraw/zinc/95/15/89/1066951589.db2.gz RKPOIUNLXWBNAU-WMZHIEFXSA-N 1 1 485.032 3.462 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2c(F)cccc2SC)C[C@@H]1C ZINC001301919307 1066951635 /nfs/dbraw/zinc/95/16/35/1066951635.db2.gz QBIVBLQBPFZHSR-SFHVURJKSA-N 1 1 470.618 3.330 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCSC(F)(F)F)C[C@@H]1C ZINC001301919675 1066952041 /nfs/dbraw/zinc/95/20/41/1066952041.db2.gz SOKPKXMBIALHMX-ZDUSSCGKSA-N 1 1 464.583 3.044 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(C)(C)O)c2)C[C@H]1C ZINC001301920692 1066953517 /nfs/dbraw/zinc/95/35/17/1066953517.db2.gz ZOVNYCFCURLIJJ-GOSISDBHSA-N 1 1 484.670 3.066 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001301920553 1066953642 /nfs/dbraw/zinc/95/36/42/1066953642.db2.gz BNJMXWLMIBQRQV-IBGZPJMESA-N 1 1 471.675 3.297 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001302363502 1066953675 /nfs/dbraw/zinc/95/36/75/1066953675.db2.gz GPCRIDSCCDQWQC-RZUBCFFCSA-N 1 1 489.686 3.332 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001301920967 1066954028 /nfs/dbraw/zinc/95/40/28/1066954028.db2.gz GEGQIUAAHCCXLC-INIZCTEOSA-N 1 1 478.569 3.132 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001302364183 1066954647 /nfs/dbraw/zinc/95/46/47/1066954647.db2.gz NZXYYAJMGZWKSU-OAQYLSRUSA-N 1 1 475.659 3.228 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001301921307 1066955258 /nfs/dbraw/zinc/95/52/58/1066955258.db2.gz SORZOJZXGQUFNY-IBGZPJMESA-N 1 1 472.037 3.046 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCOc2ccccc2Cl)CC1 ZINC001301921515 1066955471 /nfs/dbraw/zinc/95/54/71/1066955471.db2.gz HZKROWFXKQDMLX-UHFFFAOYSA-N 1 1 462.019 3.431 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2CC(F)(F)C2)C[C@@H]1C ZINC001301921513 1066955528 /nfs/dbraw/zinc/95/55/28/1066955528.db2.gz HXNFOGKSYKTMLG-SFHVURJKSA-N 1 1 463.573 3.274 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCCn2cc(Br)cn2)C[C@@H]1C ZINC001301921746 1066955772 /nfs/dbraw/zinc/95/57/72/1066955772.db2.gz JCBIBMYPABXGCC-SFHVURJKSA-N 1 1 494.482 3.217 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCOc2c(C)cccc2C)CC1 ZINC001301921769 1066955852 /nfs/dbraw/zinc/95/58/52/1066955852.db2.gz JNUHNRSNOMKJEQ-UHFFFAOYSA-N 1 1 455.628 3.395 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001301921940 1066955891 /nfs/dbraw/zinc/95/58/91/1066955891.db2.gz WNBXHYKAOQKSEY-GOSISDBHSA-N 1 1 493.052 3.204 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301922728 1066956497 /nfs/dbraw/zinc/95/64/97/1066956497.db2.gz YNSQDERUFIUWAT-XWGVYQGASA-N 1 1 468.690 3.455 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301922728 1066956503 /nfs/dbraw/zinc/95/65/03/1066956503.db2.gz YNSQDERUFIUWAT-XWGVYQGASA-N 1 1 468.690 3.455 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001302366848 1066956501 /nfs/dbraw/zinc/95/65/01/1066956501.db2.gz UTAQQEAWXRGDFH-AUSIDOKSSA-N 1 1 474.625 3.056 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CCCc2cccc(C)n2)C[C@H]1C ZINC001301922964 1066957222 /nfs/dbraw/zinc/95/72/22/1066957222.db2.gz NYFDWQVXYMCOMS-HXUWFJFHSA-N 1 1 454.644 3.424 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001301923568 1066957542 /nfs/dbraw/zinc/95/75/42/1066957542.db2.gz QDCMLDHOTBUWCA-UNMCSNQZSA-N 1 1 490.693 3.425 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCOc2ccc(Cl)cn2)C[C@H]1C ZINC001301923644 1066957691 /nfs/dbraw/zinc/95/76/91/1066957691.db2.gz RAJSQOIMUSPJNY-GOSISDBHSA-N 1 1 463.026 3.295 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001301923990 1066957912 /nfs/dbraw/zinc/95/79/12/1066957912.db2.gz QCUFBIHOWDMVMK-REWPJTCUSA-N 1 1 454.619 3.147 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001301925007 1066958465 /nfs/dbraw/zinc/95/84/65/1066958465.db2.gz WQMOZHMMUORIQF-GOTSBHOMSA-N 1 1 454.619 3.004 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(NC(=O)OC)c2)C[C@@H]1C ZINC001301924939 1066958556 /nfs/dbraw/zinc/95/85/56/1066958556.db2.gz ZDQNUFJRVYWTMT-SFHVURJKSA-N 1 1 484.626 3.314 20 0 JGADMO CC(C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001302370778 1066959066 /nfs/dbraw/zinc/95/90/66/1066959066.db2.gz CEIYZLNYHRPAGI-HDICACEKSA-N 1 1 490.674 3.203 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001301926400 1066959488 /nfs/dbraw/zinc/95/94/88/1066959488.db2.gz FFCQCOLPSAYBFL-VXKWHMMOSA-N 1 1 455.647 3.425 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CC2CCC(F)(F)CC2)CC1 ZINC001301926817 1066960208 /nfs/dbraw/zinc/96/02/08/1066960208.db2.gz MXYKTXFDULLBAU-UHFFFAOYSA-N 1 1 463.573 3.494 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccn(C)n2)C[C@H]1C ZINC001301927310 1066961547 /nfs/dbraw/zinc/96/15/47/1066961547.db2.gz BKJKBKVEVSBXEK-OAQYLSRUSA-N 1 1 481.645 3.228 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC(C)C)CC1 ZINC001301927534 1066962483 /nfs/dbraw/zinc/96/24/83/1066962483.db2.gz IVVKVAWJAXZJGV-UHFFFAOYSA-N 1 1 466.424 3.434 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2OCCC2(C)C)C[C@@H]1C ZINC001301927822 1066963792 /nfs/dbraw/zinc/96/37/92/1066963792.db2.gz OKKNGMNLVTZZAV-GMAHTHKFSA-N 1 1 471.646 3.446 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2OCCC2(C)C)C[C@@H]1C ZINC001301927823 1066963835 /nfs/dbraw/zinc/96/38/35/1066963835.db2.gz OKKNGMNLVTZZAV-JTHBVZDNSA-N 1 1 471.646 3.446 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2[C@@H]2C[C@H]2CF)C[C@H]1C ZINC001301927958 1066964504 /nfs/dbraw/zinc/96/45/04/1066964504.db2.gz QCVHZLWFZZIKLQ-JTDSTZFVSA-N 1 1 482.398 3.307 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001301927977 1066964656 /nfs/dbraw/zinc/96/46/56/1066964656.db2.gz QMOYRVRVWCSYPI-IEBWSBKVSA-N 1 1 451.974 3.417 20 0 JGADMO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001301928039 1066965025 /nfs/dbraw/zinc/96/50/25/1066965025.db2.gz RQIKDCKODPJZIZ-BJKOFHAPSA-N 1 1 484.689 3.443 20 0 JGADMO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001301928039 1066965034 /nfs/dbraw/zinc/96/50/34/1066965034.db2.gz RQIKDCKODPJZIZ-BJKOFHAPSA-N 1 1 484.689 3.443 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCCCC2)C[C@H]1C ZINC001301928150 1066965231 /nfs/dbraw/zinc/96/52/31/1066965231.db2.gz SNPHAQRILOZMEZ-JOCHJYFZSA-N 1 1 471.646 3.326 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301929122 1066966395 /nfs/dbraw/zinc/96/63/95/1066966395.db2.gz CYQAPPKGCCGPDV-NFBKMPQASA-N 1 1 460.667 3.179 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCc2csc(C(C)(C)C)n2)C[C@H]1C ZINC001301930555 1066968031 /nfs/dbraw/zinc/96/80/31/1066968031.db2.gz MGHFOOKENIDUAQ-IEBWSBKVSA-N 1 1 462.664 3.283 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)c2ccccc2)CC1 ZINC001301931213 1066968620 /nfs/dbraw/zinc/96/86/20/1066968620.db2.gz DCAQJPZQWHTTDG-DHIUTWEWSA-N 1 1 470.662 3.102 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOc2ccccc2)CC1 ZINC001301931568 1066969084 /nfs/dbraw/zinc/96/90/84/1066969084.db2.gz DXYMMJNZZQQIFC-DHIUTWEWSA-N 1 1 471.646 3.434 20 0 JGADMO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001301932063 1066970334 /nfs/dbraw/zinc/97/03/34/1066970334.db2.gz VOKIHFNJTFCKQW-QUCCMNQESA-N 1 1 488.702 3.063 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC001301932557 1066970976 /nfs/dbraw/zinc/97/09/76/1066970976.db2.gz YRAYMHPOARBPPT-IEBWSBKVSA-N 1 1 497.566 3.203 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@H]1C ZINC001301932673 1066971122 /nfs/dbraw/zinc/97/11/22/1066971122.db2.gz ICECYAUSXDGZPH-NMMYMHLASA-N 1 1 475.609 3.214 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001302391926 1066971410 /nfs/dbraw/zinc/97/14/10/1066971410.db2.gz FPWHZEZIWSYUNG-PXNSSMCTSA-N 1 1 478.435 3.434 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001302392924 1066972226 /nfs/dbraw/zinc/97/22/26/1066972226.db2.gz BHHTYJWHYPUNHK-INIZCTEOSA-N 1 1 464.408 3.044 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001302392924 1066972232 /nfs/dbraw/zinc/97/22/32/1066972232.db2.gz BHHTYJWHYPUNHK-INIZCTEOSA-N 1 1 464.408 3.044 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001301933524 1066973092 /nfs/dbraw/zinc/97/30/92/1066973092.db2.gz OSVJNUPHGZMUIP-YKSBVNFPSA-N 1 1 459.660 3.198 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001301933521 1066973382 /nfs/dbraw/zinc/97/33/82/1066973382.db2.gz OSVJNUPHGZMUIP-GBXCKJPGSA-N 1 1 459.660 3.198 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)SC)C[C@@H]1C ZINC001301933790 1066973806 /nfs/dbraw/zinc/97/38/06/1066973806.db2.gz ROZFOVCCBPBVOA-IPMKNSEASA-N 1 1 453.697 3.495 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCSC2)C[C@@H]1C ZINC001301934254 1066974244 /nfs/dbraw/zinc/97/42/44/1066974244.db2.gz WSVBJXYIGLDWAD-RBUKOAKNSA-N 1 1 477.700 3.489 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001301934084 1066974271 /nfs/dbraw/zinc/97/42/71/1066974271.db2.gz UNOKVJUPCYQVBL-TZIWHRDSSA-N 1 1 474.650 3.299 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cccc(C)n2)CC1 ZINC001301934445 1066975176 /nfs/dbraw/zinc/97/51/76/1066975176.db2.gz YRSTXMDRUXCQAI-DHIUTWEWSA-N 1 1 470.662 3.301 20 0 JGADMO CC(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301935602 1066976493 /nfs/dbraw/zinc/97/64/93/1066976493.db2.gz UKYUQWBZDLNASA-UHFFFAOYSA-N 1 1 468.627 3.075 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001301936039 1066977789 /nfs/dbraw/zinc/97/77/89/1066977789.db2.gz CWLBYWCMCDGFPB-BHDDXSALSA-N 1 1 468.646 3.105 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001302398904 1066978692 /nfs/dbraw/zinc/97/86/92/1066978692.db2.gz WXYKYRNELQUWDB-QFIPXVFZSA-N 1 1 467.662 3.079 20 0 JGADMO CO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001302399398 1066979372 /nfs/dbraw/zinc/97/93/72/1066979372.db2.gz VWJOJVZUGTUYOB-LEWJYISDSA-N 1 1 492.665 3.076 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C3CCC3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001301938368 1066982552 /nfs/dbraw/zinc/98/25/52/1066982552.db2.gz BPQCPMIWBFCPMX-RZUBCFFCSA-N 1 1 460.667 3.178 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[N@H+](C)C(C)C)C1 ZINC001302408834 1066991989 /nfs/dbraw/zinc/99/19/89/1066991989.db2.gz KFTAERGAWQWPHX-NRFANRHFSA-N 1 1 478.645 3.416 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1OC ZINC001302417738 1067001000 /nfs/dbraw/zinc/00/10/00/1067001000.db2.gz BLODZXJCOWJWLV-OYRHEFFESA-N 1 1 478.037 3.483 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1OC ZINC001302419215 1067004000 /nfs/dbraw/zinc/00/40/00/1067004000.db2.gz MQNDXEAOKZKCHW-YUXAGFNASA-N 1 1 475.609 3.357 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1OC ZINC001302426073 1067011347 /nfs/dbraw/zinc/01/13/47/1067011347.db2.gz UBLXAFAYTNQFGR-ZOJFBHTKSA-N 1 1 463.667 3.167 20 0 JGADMO CC1(C)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001303958488 1067012929 /nfs/dbraw/zinc/01/29/29/1067012929.db2.gz DPGMWJXHDSGIMW-LJQANCHMSA-N 1 1 474.675 3.133 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001303960087 1067014550 /nfs/dbraw/zinc/01/45/50/1067014550.db2.gz QVBHUHORQDLGPI-GOSISDBHSA-N 1 1 474.600 3.361 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303960089 1067014741 /nfs/dbraw/zinc/01/47/41/1067014741.db2.gz QVDIMINFBSUAHS-PMACEKPBSA-N 1 1 476.666 3.398 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303962286 1067016060 /nfs/dbraw/zinc/01/60/60/1067016060.db2.gz GTIMEHMKEKIXRK-NHCUHLMSSA-N 1 1 495.734 3.332 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303962286 1067016073 /nfs/dbraw/zinc/01/60/73/1067016073.db2.gz GTIMEHMKEKIXRK-NHCUHLMSSA-N 1 1 495.734 3.332 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[N@H+](C)C(C)C)C1 ZINC001302430892 1067018099 /nfs/dbraw/zinc/01/80/99/1067018099.db2.gz DSNLWBQPWKAJIF-HXUWFJFHSA-N 1 1 484.645 3.045 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001302433275 1067023680 /nfs/dbraw/zinc/02/36/80/1067023680.db2.gz JHSCNEMHVWUVIS-VABKMULXSA-N 1 1 474.694 3.425 20 0 JGADMO CC1(C)COCC[N@@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303981683 1067029680 /nfs/dbraw/zinc/02/96/80/1067029680.db2.gz PERXHJVOSHCNQV-UHFFFAOYSA-N 1 1 489.064 3.115 20 0 JGADMO CC1(C)COCC[N@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303981683 1067029691 /nfs/dbraw/zinc/02/96/91/1067029691.db2.gz PERXHJVOSHCNQV-UHFFFAOYSA-N 1 1 489.064 3.115 20 0 JGADMO CC1(C)COCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001303982393 1067030666 /nfs/dbraw/zinc/03/06/66/1067030666.db2.gz YGPYQDHWAQHWHF-GOSISDBHSA-N 1 1 452.525 3.153 20 0 JGADMO CC1(C)COCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001303982393 1067030681 /nfs/dbraw/zinc/03/06/81/1067030681.db2.gz YGPYQDHWAQHWHF-GOSISDBHSA-N 1 1 452.525 3.153 20 0 JGADMO CC1=C(Br)CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001303998918 1067041321 /nfs/dbraw/zinc/04/13/21/1067041321.db2.gz KMCXCCQVJGTNBO-UHFFFAOYSA-N 1 1 462.396 3.145 20 0 JGADMO CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001304000868 1067044441 /nfs/dbraw/zinc/04/44/41/1067044441.db2.gz DIGHBQFOUWBRAJ-FQEVSTJZSA-N 1 1 450.356 3.030 20 0 JGADMO Cc1ccoc1C(=O)NCCCn1c(C(C)C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001304006551 1067049274 /nfs/dbraw/zinc/04/92/74/1067049274.db2.gz YLKRACBLUXFAPS-SZPZYZBQSA-N 1 1 485.677 3.118 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@H+]2C2CC2)c1C ZINC001304011245 1067053853 /nfs/dbraw/zinc/05/38/53/1067053853.db2.gz QUOJWMQCYJBMDO-OAQYLSRUSA-N 1 1 481.645 3.125 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccn2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001302453126 1067055427 /nfs/dbraw/zinc/05/54/27/1067055427.db2.gz NNUVRBOWQRZVTB-UHFFFAOYSA-N 1 1 477.657 3.329 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001304012523 1067055810 /nfs/dbraw/zinc/05/58/10/1067055810.db2.gz FRXSDRKJHAWYMH-PZJWPPBQSA-N 1 1 454.619 3.348 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC001304018397 1067062179 /nfs/dbraw/zinc/06/21/79/1067062179.db2.gz JDGBXAMFDXSMPT-QZNHQXDQSA-N 1 1 498.672 3.203 20 0 JGADMO CS(=O)(=O)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001302460820 1067063965 /nfs/dbraw/zinc/06/39/65/1067063965.db2.gz YUUZDVGQAVERFC-UHFFFAOYSA-N 1 1 481.613 3.037 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001304021219 1067065521 /nfs/dbraw/zinc/06/55/21/1067065521.db2.gz XZSFBONESBHFEH-ICSRJNTNSA-N 1 1 465.602 3.297 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304021831 1067065827 /nfs/dbraw/zinc/06/58/27/1067065827.db2.gz UHKMKGSEXMBXJD-LOYIFYEOSA-N 1 1 498.672 3.093 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001304023547 1067069147 /nfs/dbraw/zinc/06/91/47/1067069147.db2.gz NSWIQIYFWLTBGT-TZIWHRDSSA-N 1 1 465.602 3.332 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2C[C@H](C)C[NH+]2CCOCC2)c1C ZINC001304026251 1067072933 /nfs/dbraw/zinc/07/29/33/1067072933.db2.gz PLZHFWRQKQYSFI-DENIHFKCSA-N 1 1 457.619 3.230 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2C[C@@H](C)C[NH+]2CCOCC2)c1C ZINC001304026254 1067073065 /nfs/dbraw/zinc/07/30/65/1067073065.db2.gz PLZHFWRQKQYSFI-UGKGYDQZSA-N 1 1 457.619 3.230 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001304026377 1067073503 /nfs/dbraw/zinc/07/35/03/1067073503.db2.gz RUSWCSHIBLYOBU-LEWJYISDSA-N 1 1 477.675 3.389 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001304026379 1067073584 /nfs/dbraw/zinc/07/35/84/1067073584.db2.gz RUSWCSHIBLYOBU-RTWAWAEBSA-N 1 1 477.675 3.389 20 0 JGADMO CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001302470670 1067074728 /nfs/dbraw/zinc/07/47/28/1067074728.db2.gz USDCLBQGBVLWST-PKTZIBPZSA-N 1 1 468.646 3.393 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)c1C ZINC001304029187 1067076968 /nfs/dbraw/zinc/07/69/68/1067076968.db2.gz KGFSFCDJWBLJEX-CTNGQTDRSA-N 1 1 454.619 3.236 20 0 JGADMO CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001302477407 1067078973 /nfs/dbraw/zinc/07/89/73/1067078973.db2.gz APGNLOBKSZQURE-MDNUFGMLSA-N 1 1 468.646 3.391 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001304030910 1067079080 /nfs/dbraw/zinc/07/90/80/1067079080.db2.gz RCFRZMMTGBQVCK-VXKWHMMOSA-N 1 1 468.646 3.339 20 0 JGADMO CC(C)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001302480105 1067080718 /nfs/dbraw/zinc/08/07/18/1067080718.db2.gz YWLKUFQZFHJNOQ-JOCHJYFZSA-N 1 1 468.646 3.052 20 0 JGADMO CC(C)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001302482797 1067081673 /nfs/dbraw/zinc/08/16/73/1067081673.db2.gz QOMQPKXZIZIDBE-UHFFFAOYSA-N 1 1 450.635 3.392 20 0 JGADMO Cc1nc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[N@H+](C(C)C)CC2)sc1C ZINC001304051404 1067093089 /nfs/dbraw/zinc/09/30/89/1067093089.db2.gz PTIAQUTYFMQSMC-UHFFFAOYSA-N 1 1 488.683 3.391 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304056512 1067096416 /nfs/dbraw/zinc/09/64/16/1067096416.db2.gz CMADRTKMURWGHN-UHFFFAOYSA-N 1 1 491.706 3.140 20 0 JGADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCS(C)(=O)=O)n1CC[NH+]1CCCCC1 ZINC001304057045 1067097251 /nfs/dbraw/zinc/09/72/51/1067097251.db2.gz HVOONLAOKRLYDB-UHFFFAOYSA-N 1 1 488.683 3.344 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001302502934 1067102323 /nfs/dbraw/zinc/10/23/23/1067102323.db2.gz GYISVLHKZQMKIV-OALUTQOASA-N 1 1 453.635 3.200 20 0 JGADMO Cc1ncsc1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001304066357 1067111151 /nfs/dbraw/zinc/11/11/51/1067111151.db2.gz VKKJBLDRJGHWDZ-QGZVFWFLSA-N 1 1 473.672 3.369 20 0 JGADMO C[S@](=O)C1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001302510670 1067118660 /nfs/dbraw/zinc/11/86/60/1067118660.db2.gz HSXKQMBFOUTVPO-FFZYEISDSA-N 1 1 494.706 3.182 20 0 JGADMO CSC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001302518849 1067138521 /nfs/dbraw/zinc/13/85/21/1067138521.db2.gz PAANRPHACLIDHE-QFIPXVFZSA-N 1 1 472.703 3.318 20 0 JGADMO Cc1c(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cnn1CC(C)C ZINC001304098287 1067140697 /nfs/dbraw/zinc/14/06/97/1067140697.db2.gz ILLZWDLNICIAGQ-UHFFFAOYSA-N 1 1 484.693 3.280 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)N1CCOCC1 ZINC001302523379 1067144057 /nfs/dbraw/zinc/14/40/57/1067144057.db2.gz JENADBRDTQCUTM-ZEQRLZLVSA-N 1 1 476.710 3.086 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC001302523999 1067145208 /nfs/dbraw/zinc/14/52/08/1067145208.db2.gz AZCDXJXMIRCRRD-OFNKIYASSA-N 1 1 459.610 3.228 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001302524484 1067145870 /nfs/dbraw/zinc/14/58/70/1067145870.db2.gz OSUCHIXPPXLQJQ-NQIIRXRSSA-N 1 1 463.026 3.214 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001302526575 1067151754 /nfs/dbraw/zinc/15/17/54/1067151754.db2.gz WHAQPBFVVBTJND-VQIMIIECSA-N 1 1 458.434 3.428 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCOCC1 ZINC001302527796 1067154688 /nfs/dbraw/zinc/15/46/88/1067154688.db2.gz ZHHWRQMWEMMRSG-IRLDBZIGSA-N 1 1 475.609 3.183 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001302528216 1067156242 /nfs/dbraw/zinc/15/62/42/1067156242.db2.gz HLJOUQDAEKAGBG-FPOVZHCZSA-N 1 1 486.627 3.440 20 0 JGADMO CC(C)[C@H](Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001302529480 1067159070 /nfs/dbraw/zinc/15/90/70/1067159070.db2.gz YGNMUIGABSVXKE-PGRDOPGGSA-N 1 1 475.600 3.462 20 0 JGADMO CSC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001302530853 1067159618 /nfs/dbraw/zinc/15/96/18/1067159618.db2.gz GOCNCUIVBWMLMV-UHFFFAOYSA-N 1 1 488.731 3.448 20 0 JGADMO CC(C)c1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)n1 ZINC001302535795 1067166238 /nfs/dbraw/zinc/16/62/38/1067166238.db2.gz IMGTYRCPDOVKSS-UHFFFAOYSA-N 1 1 484.693 3.218 20 0 JGADMO CC(C)c1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)n1 ZINC001302535795 1067166248 /nfs/dbraw/zinc/16/62/48/1067166248.db2.gz IMGTYRCPDOVKSS-UHFFFAOYSA-N 1 1 484.693 3.218 20 0 JGADMO CC(C)c1csc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001302543561 1067175977 /nfs/dbraw/zinc/17/59/77/1067175977.db2.gz CLPAHAFHKBBFGT-KDURUIRLSA-N 1 1 469.659 3.438 20 0 JGADMO CC(C)c1csc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001302543561 1067175980 /nfs/dbraw/zinc/17/59/80/1067175980.db2.gz CLPAHAFHKBBFGT-KDURUIRLSA-N 1 1 469.659 3.438 20 0 JGADMO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302547215 1067182151 /nfs/dbraw/zinc/18/21/51/1067182151.db2.gz GYONVUGWDMWACH-CQSZACIVSA-N 1 1 471.469 3.334 20 0 JGADMO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302547215 1067182155 /nfs/dbraw/zinc/18/21/55/1067182155.db2.gz GYONVUGWDMWACH-CQSZACIVSA-N 1 1 471.469 3.334 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304140874 1067182362 /nfs/dbraw/zinc/18/23/62/1067182362.db2.gz OCHRERHTFCYCSB-NRAIQUKZSA-N 1 1 478.037 3.369 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304144367 1067186489 /nfs/dbraw/zinc/18/64/89/1067186489.db2.gz OCHRERHTFCYCSB-UAKAABGRSA-N 1 1 478.037 3.369 20 0 JGADMO CS[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302549467 1067186470 /nfs/dbraw/zinc/18/64/70/1067186470.db2.gz YSFVIPXZHYUJJH-CHWSQXEVSA-N 1 1 458.451 3.041 20 0 JGADMO CS[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302549467 1067186473 /nfs/dbraw/zinc/18/64/73/1067186473.db2.gz YSFVIPXZHYUJJH-CHWSQXEVSA-N 1 1 458.451 3.041 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)no1 ZINC001304146309 1067189450 /nfs/dbraw/zinc/18/94/50/1067189450.db2.gz BGLIXLMSFJSJDA-NRFANRHFSA-N 1 1 471.650 3.292 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3CCOCC3)CC2)c(C)o1 ZINC001304146421 1067190024 /nfs/dbraw/zinc/19/00/24/1067190024.db2.gz FEOZVAVINXECNH-UHFFFAOYSA-N 1 1 486.661 3.196 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)Cc3ccccc3)CC2)no1 ZINC001304146599 1067190810 /nfs/dbraw/zinc/19/08/10/1067190810.db2.gz UAGIGXOWDFMSOQ-UHFFFAOYSA-N 1 1 479.629 3.403 20 0 JGADMO CC(C)c1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cs1 ZINC001302555358 1067194052 /nfs/dbraw/zinc/19/40/52/1067194052.db2.gz WWTXGDDIJMCUDL-SFHVURJKSA-N 1 1 494.731 3.313 20 0 JGADMO CS[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001302560022 1067200606 /nfs/dbraw/zinc/20/06/06/1067200606.db2.gz ASXDRVTVIVFQSG-FQEVSTJZSA-N 1 1 452.628 3.216 20 0 JGADMO Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304153377 1067201158 /nfs/dbraw/zinc/20/11/58/1067201158.db2.gz XNSBHBZUWLBGFR-RUZDIDTESA-N 1 1 461.651 3.389 20 0 JGADMO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302560427 1067201217 /nfs/dbraw/zinc/20/12/17/1067201217.db2.gz DOWZPYWXOOQVET-YZUZCNPQSA-N 1 1 484.714 3.308 20 0 JGADMO CS[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001302565381 1067204458 /nfs/dbraw/zinc/20/44/58/1067204458.db2.gz ZKDYTKWVZLJKME-GOSISDBHSA-N 1 1 457.623 3.205 20 0 JGADMO CC(C)c1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302566459 1067205926 /nfs/dbraw/zinc/20/59/26/1067205926.db2.gz ASSJUIRXDGHXOM-YLJYHZDGSA-N 1 1 454.388 3.378 20 0 JGADMO CS[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001302568221 1067207250 /nfs/dbraw/zinc/20/72/50/1067207250.db2.gz WVHXJBLNMMSJEZ-NRFANRHFSA-N 1 1 469.659 3.092 20 0 JGADMO CC(C)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302567943 1067207330 /nfs/dbraw/zinc/20/73/30/1067207330.db2.gz CIFLWSYVXIFGEW-ZEQRLZLVSA-N 1 1 481.689 3.449 20 0 JGADMO CS[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001302570844 1067210183 /nfs/dbraw/zinc/21/01/83/1067210183.db2.gz STKQAJQUFSSPPE-LTFPLMDUSA-N 1 1 451.681 3.105 20 0 JGADMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)ccc2OC)cc1 ZINC001302571203 1067210654 /nfs/dbraw/zinc/21/06/54/1067210654.db2.gz UBMKPHKRYJFLJD-CTNGQTDRSA-N 1 1 457.596 3.225 20 0 JGADMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)ccc2OC)cc1 ZINC001302571203 1067210660 /nfs/dbraw/zinc/21/06/60/1067210660.db2.gz UBMKPHKRYJFLJD-CTNGQTDRSA-N 1 1 457.596 3.225 20 0 JGADMO CC(C)c1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302570998 1067210859 /nfs/dbraw/zinc/21/08/59/1067210859.db2.gz DMYKDUWHLYJGGQ-UHFFFAOYSA-N 1 1 476.069 3.403 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001304164869 1067211797 /nfs/dbraw/zinc/21/17/97/1067211797.db2.gz AVXBNPGPHHRSDO-IBGZPJMESA-N 1 1 455.546 3.286 20 0 JGADMO O=C(c1ccc(S(=O)(=O)CC2CC2)cc1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001304166021 1067212922 /nfs/dbraw/zinc/21/29/22/1067212922.db2.gz PLIVMYCVXXHAON-UHFFFAOYSA-N 1 1 456.608 3.235 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001304167807 1067214220 /nfs/dbraw/zinc/21/42/20/1067214220.db2.gz SRLNMWUBFMSZOE-RBBKRZOGSA-N 1 1 491.702 3.464 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304167807 1067214223 /nfs/dbraw/zinc/21/42/23/1067214223.db2.gz SRLNMWUBFMSZOE-RBBKRZOGSA-N 1 1 491.702 3.464 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304168350 1067215234 /nfs/dbraw/zinc/21/52/34/1067215234.db2.gz FSZRSBJAGPBGGN-LADGPHEKSA-N 1 1 471.646 3.303 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304169626 1067217789 /nfs/dbraw/zinc/21/77/89/1067217789.db2.gz HOCAWWXEFRDTPR-STZQEDGTSA-N 1 1 468.646 3.261 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001304170510 1067218087 /nfs/dbraw/zinc/21/80/87/1067218087.db2.gz MQDWGGGHWPEJHX-HXUWFJFHSA-N 1 1 465.602 3.126 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H](N4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304171559 1067219134 /nfs/dbraw/zinc/21/91/34/1067219134.db2.gz RVYHQCMKNJDJAA-NOZRDPDXSA-N 1 1 484.689 3.361 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304179198 1067228937 /nfs/dbraw/zinc/22/89/37/1067228937.db2.gz SVTFRTPHPLNJKX-XMMPIXPASA-N 1 1 484.689 3.363 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304179198 1067228942 /nfs/dbraw/zinc/22/89/42/1067228942.db2.gz SVTFRTPHPLNJKX-XMMPIXPASA-N 1 1 484.689 3.363 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304182367 1067232064 /nfs/dbraw/zinc/23/20/64/1067232064.db2.gz OFJMWDIXSKZBDU-XMMPIXPASA-N 1 1 498.672 3.032 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001304182597 1067232440 /nfs/dbraw/zinc/23/24/40/1067232440.db2.gz AIOLUFVALFNKMV-FQEVSTJZSA-N 1 1 473.668 3.407 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001304182600 1067232501 /nfs/dbraw/zinc/23/25/01/1067232501.db2.gz AIOLUFVALFNKMV-HXUWFJFHSA-N 1 1 473.668 3.407 20 0 JGADMO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC(=O)NC1CCCCC1 ZINC001302595651 1067233417 /nfs/dbraw/zinc/23/34/17/1067233417.db2.gz RFXTUYWKJYHUMN-WMZHIEFXSA-N 1 1 470.666 3.103 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001304182971 1067233518 /nfs/dbraw/zinc/23/35/18/1067233518.db2.gz FUYKJMKJWTWMPD-NRFANRHFSA-N 1 1 472.703 3.442 20 0 JGADMO CSC1(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCC1 ZINC001302599620 1067236329 /nfs/dbraw/zinc/23/63/29/1067236329.db2.gz AGSAAKHZCSUJPN-FQEVSTJZSA-N 1 1 459.660 3.249 20 0 JGADMO CC(C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)CC[N@H+]1C ZINC001302600987 1067237461 /nfs/dbraw/zinc/23/74/61/1067237461.db2.gz QXQFLVIQTJOBQE-GAJHUEQPSA-N 1 1 459.587 3.378 20 0 JGADMO Cc1cc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304189542 1067239572 /nfs/dbraw/zinc/23/95/72/1067239572.db2.gz NORNRUJIGJSOKU-RBUKOAKNSA-N 1 1 472.659 3.400 20 0 JGADMO Cc1cc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304189538 1067239681 /nfs/dbraw/zinc/23/96/81/1067239681.db2.gz NORNRUJIGJSOKU-OALUTQOASA-N 1 1 472.659 3.400 20 0 JGADMO CC(C)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302606703 1067240855 /nfs/dbraw/zinc/24/08/55/1067240855.db2.gz IVWOXMVYCHPDAP-QFIPXVFZSA-N 1 1 469.630 3.443 20 0 JGADMO Cc1cc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)no1 ZINC001304198871 1067248628 /nfs/dbraw/zinc/24/86/28/1067248628.db2.gz YDRJKJNLFZKADF-UHFFFAOYSA-N 1 1 494.644 3.106 20 0 JGADMO CC(C)c1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CCN1CCOC[C@@H]1C ZINC001302627021 1067257256 /nfs/dbraw/zinc/25/72/56/1067257256.db2.gz CQWOXIBIVLAYCC-QFIPXVFZSA-N 1 1 454.663 3.471 20 0 JGADMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC001304214290 1067257540 /nfs/dbraw/zinc/25/75/40/1067257540.db2.gz PAAIZDJSILQOPF-KUDFPVQQSA-N 1 1 452.393 3.425 20 0 JGADMO CC(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302629490 1067259605 /nfs/dbraw/zinc/25/96/05/1067259605.db2.gz ZDKRPKFJPOFRAZ-GOSISDBHSA-N 1 1 456.557 3.313 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302633727 1067262537 /nfs/dbraw/zinc/26/25/37/1067262537.db2.gz GOGILVCXEXSYGU-PXNSSMCTSA-N 1 1 460.026 3.398 20 0 JGADMO Cc1cc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)CC2)no1 ZINC001304229553 1067266903 /nfs/dbraw/zinc/26/69/03/1067266903.db2.gz CZMHUZLHODYBAY-JOCHJYFZSA-N 1 1 457.667 3.463 20 0 JGADMO CSc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001302636899 1067267075 /nfs/dbraw/zinc/26/70/75/1067267075.db2.gz VHNCORQRGHYIJJ-OAQYLSRUSA-N 1 1 470.687 3.298 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CC(=O)N(C)C ZINC001304231406 1067268475 /nfs/dbraw/zinc/26/84/75/1067268475.db2.gz JAEKQDJZIULFNE-UYAOXDASSA-N 1 1 475.037 3.013 20 0 JGADMO CC(C)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001302644437 1067272837 /nfs/dbraw/zinc/27/28/37/1067272837.db2.gz XFGQMVCJTIIFHD-UHFFFAOYSA-N 1 1 487.649 3.302 20 0 JGADMO Cc1cc(F)cc2c1CN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccco1)[NH+](C)C)CC2 ZINC001304234528 1067273522 /nfs/dbraw/zinc/27/35/22/1067273522.db2.gz ZNGDUNJMQQRJIX-HXUWFJFHSA-N 1 1 454.550 3.322 20 0 JGADMO Cc1cc(F)cc2c1CN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccco1)[NH+](C)C)CC2 ZINC001304234527 1067273668 /nfs/dbraw/zinc/27/36/68/1067273668.db2.gz ZNGDUNJMQQRJIX-FQEVSTJZSA-N 1 1 454.550 3.322 20 0 JGADMO Cc1cc(F)ccc1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001304242041 1067279053 /nfs/dbraw/zinc/27/90/53/1067279053.db2.gz XYBMLTYXBBUYDW-UHFFFAOYSA-N 1 1 470.618 3.490 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302653170 1067279350 /nfs/dbraw/zinc/27/93/50/1067279350.db2.gz VDFCGAJQDOYANR-RXVVDRJESA-N 1 1 497.109 3.466 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302653169 1067279376 /nfs/dbraw/zinc/27/93/76/1067279376.db2.gz VDFCGAJQDOYANR-NQIIRXRSSA-N 1 1 497.109 3.466 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001304258015 1067292385 /nfs/dbraw/zinc/29/23/85/1067292385.db2.gz HMUFISILYXYQTK-UHFFFAOYSA-N 1 1 468.646 3.346 20 0 JGADMO Cc1ccc(C(=O)NC2CCN(c3nnc(C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC001304261092 1067296529 /nfs/dbraw/zinc/29/65/29/1067296529.db2.gz ZJKBLEHPZOYPGW-CALCHBBNSA-N 1 1 474.675 3.243 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302673384 1067298791 /nfs/dbraw/zinc/29/87/91/1067298791.db2.gz BYCOSPZYVUQLJM-VQTJNVASSA-N 1 1 464.655 3.084 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302676194 1067301523 /nfs/dbraw/zinc/30/15/23/1067301523.db2.gz BJNRREBVDUGBMT-IMWIBFENSA-N 1 1 494.706 3.139 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302681840 1067307567 /nfs/dbraw/zinc/30/75/67/1067307567.db2.gz MWSRJVBUPAUVPG-VXKWHMMOSA-N 1 1 458.676 3.223 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302681842 1067307712 /nfs/dbraw/zinc/30/77/12/1067307712.db2.gz MWSRJVBUPAUVPG-YADHBBJMSA-N 1 1 458.676 3.223 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302683913 1067309412 /nfs/dbraw/zinc/30/94/12/1067309412.db2.gz UGEWOSZFJQFKRJ-FCHUYYIVSA-N 1 1 458.676 3.223 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302683920 1067309633 /nfs/dbraw/zinc/30/96/33/1067309633.db2.gz UGEWOSZFJQFKRJ-YADHBBJMSA-N 1 1 458.676 3.223 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302690977 1067316135 /nfs/dbraw/zinc/31/61/35/1067316135.db2.gz UHGLKHPBZFCDKE-PZJWPPBQSA-N 1 1 456.660 3.366 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302690976 1067316223 /nfs/dbraw/zinc/31/62/23/1067316223.db2.gz UHGLKHPBZFCDKE-FPOVZHCZSA-N 1 1 456.660 3.366 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302692248 1067317612 /nfs/dbraw/zinc/31/76/12/1067317612.db2.gz JBQGWAKGLFFNLW-DENIHFKCSA-N 1 1 467.536 3.153 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001302692172 1067317756 /nfs/dbraw/zinc/31/77/56/1067317756.db2.gz GXFPKTQSJXFBKT-VQTJNVASSA-N 1 1 454.610 3.068 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccoc2)[NH+](C)C)cc1 ZINC001304279011 1067319027 /nfs/dbraw/zinc/31/90/27/1067319027.db2.gz OZVMNYZGAMFNDN-SFTDATJTSA-N 1 1 457.600 3.021 20 0 JGADMO Cc1ccc([C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccoc2)[NH+](C)C)cc1 ZINC001304279008 1067319050 /nfs/dbraw/zinc/31/90/50/1067319050.db2.gz OZVMNYZGAMFNDN-LEWJYISDSA-N 1 1 457.600 3.021 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001302693893 1067319069 /nfs/dbraw/zinc/31/90/69/1067319069.db2.gz YRWTWVLSSXXJCW-QFIPXVFZSA-N 1 1 492.615 3.282 20 0 JGADMO CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001302693890 1067319313 /nfs/dbraw/zinc/31/93/13/1067319313.db2.gz YLUOMMGGPVAXRF-FQEVSTJZSA-N 1 1 484.645 3.406 20 0 JGADMO Cc1ncsc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001304279621 1067319637 /nfs/dbraw/zinc/31/96/37/1067319637.db2.gz YAUZPJOUXRASOX-UXHICEINSA-N 1 1 488.683 3.193 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+](C)C(C)C ZINC001302696005 1067321330 /nfs/dbraw/zinc/32/13/30/1067321330.db2.gz KDMBDSIOIRDKLP-SFHVURJKSA-N 1 1 479.720 3.219 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302696504 1067322080 /nfs/dbraw/zinc/32/20/80/1067322080.db2.gz PDMQTNSGZYTMNX-SJORKVTESA-N 1 1 483.480 3.214 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC001304281454 1067322250 /nfs/dbraw/zinc/32/22/50/1067322250.db2.gz BAXOVBMTYLOHQT-FQEVSTJZSA-N 1 1 468.646 3.309 20 0 JGADMO CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001302697759 1067322899 /nfs/dbraw/zinc/32/28/99/1067322899.db2.gz IDOCMITYHDXDDC-LADGPHEKSA-N 1 1 454.663 3.328 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001304282877 1067323828 /nfs/dbraw/zinc/32/38/28/1067323828.db2.gz QAJVJYIHIXHUPE-NRFANRHFSA-N 1 1 468.646 3.440 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302705363 1067327712 /nfs/dbraw/zinc/32/77/12/1067327712.db2.gz VUJSJJJBAFUIFJ-KNQAVFIVSA-N 1 1 463.573 3.495 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304286592 1067328885 /nfs/dbraw/zinc/32/88/85/1067328885.db2.gz ARXNQWUIGNHFIO-VWLOTQADSA-N 1 1 489.686 3.219 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1CCOCC1 ZINC001302708168 1067329698 /nfs/dbraw/zinc/32/96/98/1067329698.db2.gz VOPKDQZIOJMTFW-KRWDZBQOSA-N 1 1 451.587 3.201 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001304287777 1067330354 /nfs/dbraw/zinc/33/03/54/1067330354.db2.gz KBDHIRYYJSFPEW-YADHBBJMSA-N 1 1 489.686 3.218 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304289387 1067334445 /nfs/dbraw/zinc/33/44/45/1067334445.db2.gz XPESJZRJVUPULC-CTNGQTDRSA-N 1 1 457.575 3.318 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCOCCC(C)C)c1 ZINC001304290868 1067338183 /nfs/dbraw/zinc/33/81/83/1067338183.db2.gz IUBXDAUGLZGDMJ-JOCHJYFZSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCOCCC(C)C)c1 ZINC001304290868 1067338195 /nfs/dbraw/zinc/33/81/95/1067338195.db2.gz IUBXDAUGLZGDMJ-JOCHJYFZSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1cc(Cn2c(COc3cc(C)ccc3C)nnc2N2CC[NH+](CCOC(C)C)CC2)no1 ZINC001304291889 1067340055 /nfs/dbraw/zinc/34/00/55/1067340055.db2.gz OTEPEBZCLVILSI-UHFFFAOYSA-N 1 1 468.602 3.366 20 0 JGADMO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001302725045 1067341213 /nfs/dbraw/zinc/34/12/13/1067341213.db2.gz MMMBDBLWEKZENH-RTBURBONSA-N 1 1 458.655 3.450 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302728403 1067344706 /nfs/dbraw/zinc/34/47/06/1067344706.db2.gz ZSLNOPZKPVOXSE-KOSHJBKYSA-N 1 1 496.722 3.037 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001302732514 1067346448 /nfs/dbraw/zinc/34/64/48/1067346448.db2.gz VXZFMWIZFUBCJJ-PWRODBHTSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1Br ZINC001304301221 1067349747 /nfs/dbraw/zinc/34/97/47/1067349747.db2.gz RJAAMESTIQOCIF-JOCHJYFZSA-N 1 1 471.403 3.114 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302738355 1067350472 /nfs/dbraw/zinc/35/04/72/1067350472.db2.gz VTALWPRMKWHDSI-QAPCUYQASA-N 1 1 451.413 3.381 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302738355 1067350484 /nfs/dbraw/zinc/35/04/84/1067350484.db2.gz VTALWPRMKWHDSI-QAPCUYQASA-N 1 1 451.413 3.381 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCC(=O)Nc2ccccc2)o1 ZINC001304304675 1067352859 /nfs/dbraw/zinc/35/28/59/1067352859.db2.gz QFWYONGDBBPBMO-UHFFFAOYSA-N 1 1 466.586 3.422 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCC(=O)Nc2ccccc2)o1 ZINC001304304675 1067352866 /nfs/dbraw/zinc/35/28/66/1067352866.db2.gz QFWYONGDBBPBMO-UHFFFAOYSA-N 1 1 466.586 3.422 20 0 JGADMO CSCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001302753626 1067358873 /nfs/dbraw/zinc/35/88/73/1067358873.db2.gz KXLFSUZGAPDFTF-NRFANRHFSA-N 1 1 497.507 3.490 20 0 JGADMO CSCCCCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302757387 1067361141 /nfs/dbraw/zinc/36/11/41/1067361141.db2.gz UIEJORIBRKSXPN-SIKLNZKXSA-N 1 1 462.708 3.143 20 0 JGADMO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302760415 1067362921 /nfs/dbraw/zinc/36/29/21/1067362921.db2.gz GSAJLVPLMOXGOC-TZIWHRDSSA-N 1 1 451.681 3.173 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001304318188 1067364910 /nfs/dbraw/zinc/36/49/10/1067364910.db2.gz VFKUTTLVHVDLHC-KRWDZBQOSA-N 1 1 463.648 3.370 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001304318189 1067365152 /nfs/dbraw/zinc/36/51/52/1067365152.db2.gz VFKUTTLVHVDLHC-QGZVFWFLSA-N 1 1 463.648 3.370 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304317966 1067365390 /nfs/dbraw/zinc/36/53/90/1067365390.db2.gz UIQIGBASLBJACW-GHTZIAJQSA-N 1 1 471.627 3.380 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)o1 ZINC001304322074 1067369736 /nfs/dbraw/zinc/36/97/36/1067369736.db2.gz LTQOPDNTFOORKL-ICSRJNTNSA-N 1 1 488.633 3.139 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001304323100 1067371198 /nfs/dbraw/zinc/37/11/98/1067371198.db2.gz GHJLKGSPYDFZMK-FUHWJXTLSA-N 1 1 489.462 3.415 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001302773656 1067371519 /nfs/dbraw/zinc/37/15/19/1067371519.db2.gz HSPSVYUXKBWVMD-REWPJTCUSA-N 1 1 451.619 3.450 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CC(=O)NCC(F)(F)F)o1 ZINC001304324156 1067372024 /nfs/dbraw/zinc/37/20/24/1067372024.db2.gz LOLZIIPWUIQXEJ-MRXNPFEDSA-N 1 1 476.503 3.236 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)n2CCNC(=O)C(C)C)o1 ZINC001304324210 1067372446 /nfs/dbraw/zinc/37/24/46/1067372446.db2.gz MUDDKHGYNZJQDF-IBGZPJMESA-N 1 1 450.587 3.329 20 0 JGADMO CSCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001302784566 1067377276 /nfs/dbraw/zinc/37/72/76/1067377276.db2.gz RGTXHOOEPOPQDR-JOCHJYFZSA-N 1 1 469.659 3.250 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001302787488 1067379273 /nfs/dbraw/zinc/37/92/73/1067379273.db2.gz HSLOPEVKOLZTDQ-XMMPIXPASA-N 1 1 488.652 3.131 20 0 JGADMO Cc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+](CCOC(C)C)CC2)c(N2CCOCC2)c1 ZINC001304348166 1067389583 /nfs/dbraw/zinc/38/95/83/1067389583.db2.gz BUYZHKWKFFBBPF-UHFFFAOYSA-N 1 1 470.662 3.142 20 0 JGADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC001304349320 1067390772 /nfs/dbraw/zinc/39/07/72/1067390772.db2.gz FXSSKKMYHCOAFR-ICSRJNTNSA-N 1 1 488.683 3.017 20 0 JGADMO Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001304350773 1067392278 /nfs/dbraw/zinc/39/22/78/1067392278.db2.gz WDLKIXSVYAULOI-UHFFFAOYSA-N 1 1 455.994 3.292 20 0 JGADMO Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001304350773 1067392288 /nfs/dbraw/zinc/39/22/88/1067392288.db2.gz WDLKIXSVYAULOI-UHFFFAOYSA-N 1 1 455.994 3.292 20 0 JGADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807554 1067394933 /nfs/dbraw/zinc/39/49/33/1067394933.db2.gz RIBXRQSODQYCRT-VXNXHJTFSA-N 1 1 490.737 3.258 20 0 JGADMO Cc1ccc(CSCCn2c(CC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001304366324 1067405816 /nfs/dbraw/zinc/40/58/16/1067405816.db2.gz WXNODMCOKIGFSI-QHCPKHFHSA-N 1 1 484.714 3.461 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001304368322 1067408380 /nfs/dbraw/zinc/40/83/80/1067408380.db2.gz DHVPPVVHBOTZJJ-UHFFFAOYSA-N 1 1 465.621 3.374 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304368322 1067408387 /nfs/dbraw/zinc/40/83/87/1067408387.db2.gz DHVPPVVHBOTZJJ-UHFFFAOYSA-N 1 1 465.621 3.374 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304368322 1067408394 /nfs/dbraw/zinc/40/83/94/1067408394.db2.gz DHVPPVVHBOTZJJ-UHFFFAOYSA-N 1 1 465.621 3.374 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2CCC[NH+]2CCOCC2)cc1C ZINC001304375492 1067415195 /nfs/dbraw/zinc/41/51/95/1067415195.db2.gz SMGJECHBFWEQFK-UHFFFAOYSA-N 1 1 452.559 3.099 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001304376716 1067418486 /nfs/dbraw/zinc/41/84/86/1067418486.db2.gz AGEUURHULHSEHE-RRPUWOKSSA-N 1 1 495.672 3.325 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(CCCO)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001304377183 1067419436 /nfs/dbraw/zinc/41/94/36/1067419436.db2.gz FNACVFJAXICIBO-HXUWFJFHSA-N 1 1 498.672 3.104 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC001304378541 1067422381 /nfs/dbraw/zinc/42/23/81/1067422381.db2.gz NWJHMQGFYXCGOY-QNWVGRARSA-N 1 1 468.646 3.476 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCC(C)(F)F)cc1C ZINC001304380332 1067427363 /nfs/dbraw/zinc/42/73/63/1067427363.db2.gz YUMCVHRIYAGGKU-QUCCMNQESA-N 1 1 476.572 3.349 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001304380876 1067428845 /nfs/dbraw/zinc/42/88/45/1067428845.db2.gz XVFGBVWCPFZTNF-UHFFFAOYSA-N 1 1 475.588 3.019 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001304382732 1067431400 /nfs/dbraw/zinc/43/14/00/1067431400.db2.gz LQKCTXKLACKTGJ-TZIWHRDSSA-N 1 1 493.612 3.135 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302846803 1067432180 /nfs/dbraw/zinc/43/21/80/1067432180.db2.gz XXNWGOCSWGJHJE-KTBRYMIGSA-N 1 1 461.676 3.207 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001304383260 1067432411 /nfs/dbraw/zinc/43/24/11/1067432411.db2.gz JYOOYYALWCHGPF-DENIHFKCSA-N 1 1 495.672 3.326 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CCCOC2)cc1C ZINC001304384393 1067434812 /nfs/dbraw/zinc/43/48/12/1067434812.db2.gz QANKDEQALOSZLQ-JOCHJYFZSA-N 1 1 484.645 3.121 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1F ZINC001302850822 1067435527 /nfs/dbraw/zinc/43/55/27/1067435527.db2.gz RXWBPTVKKCPVMU-UIAACRFSSA-N 1 1 480.991 3.475 20 0 JGADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC001302852503 1067437182 /nfs/dbraw/zinc/43/71/82/1067437182.db2.gz OUQNCOVNRJABSR-XFSFLGPDSA-N 1 1 456.608 3.469 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304385605 1067438135 /nfs/dbraw/zinc/43/81/35/1067438135.db2.gz ZCPNLQKNXNCMOX-DENIHFKCSA-N 1 1 454.619 3.491 20 0 JGADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302853893 1067438156 /nfs/dbraw/zinc/43/81/56/1067438156.db2.gz ZDSIEBVLMPRQKA-GIWBLDEGSA-N 1 1 450.501 3.311 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304385606 1067438164 /nfs/dbraw/zinc/43/81/64/1067438164.db2.gz ZCPNLQKNXNCMOX-KNQAVFIVSA-N 1 1 454.619 3.491 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302857573 1067440578 /nfs/dbraw/zinc/44/05/78/1067440578.db2.gz VWWWIEDTYPFZFY-CALCHBBNSA-N 1 1 454.541 3.484 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302857573 1067440582 /nfs/dbraw/zinc/44/05/82/1067440582.db2.gz VWWWIEDTYPFZFY-CALCHBBNSA-N 1 1 454.541 3.484 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCOc1ncccc1Cl ZINC001302857714 1067440588 /nfs/dbraw/zinc/44/05/88/1067440588.db2.gz XBYXXZZAZSMACD-UHFFFAOYSA-N 1 1 451.015 3.151 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCOc1ncccc1Cl ZINC001302857714 1067440590 /nfs/dbraw/zinc/44/05/90/1067440590.db2.gz XBYXXZZAZSMACD-UHFFFAOYSA-N 1 1 451.015 3.151 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001302860324 1067442733 /nfs/dbraw/zinc/44/27/33/1067442733.db2.gz UABROKPYXTXXMI-YZGWKJHDSA-N 1 1 499.603 3.337 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001304387921 1067444501 /nfs/dbraw/zinc/44/45/01/1067444501.db2.gz ITGSMZGGNXSOQB-NRFANRHFSA-N 1 1 462.602 3.239 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCSCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001304387848 1067444517 /nfs/dbraw/zinc/44/45/17/1067444517.db2.gz ZZXDCXFQMDLRRM-OAQYLSRUSA-N 1 1 472.659 3.057 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001304388656 1067446979 /nfs/dbraw/zinc/44/69/79/1067446979.db2.gz FCKYCHSXIMVWTB-LEWJYISDSA-N 1 1 454.619 3.286 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001304388659 1067447088 /nfs/dbraw/zinc/44/70/88/1067447088.db2.gz FCKYCHSXIMVWTB-SFTDATJTSA-N 1 1 454.619 3.286 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCOCC(F)F ZINC001302867359 1067448492 /nfs/dbraw/zinc/44/84/92/1067448492.db2.gz UATMIRVPOSWVGU-QGZVFWFLSA-N 1 1 483.991 3.494 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001304389420 1067448470 /nfs/dbraw/zinc/44/84/70/1067448470.db2.gz MPLNCKCQTLFAFJ-JOCHJYFZSA-N 1 1 495.672 3.152 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CCCc2ccccc2)n1CCNC(=O)C(C)(C)C ZINC001302867460 1067448522 /nfs/dbraw/zinc/44/85/22/1067448522.db2.gz WFHBDRHGDQKELS-JOCHJYFZSA-N 1 1 496.700 3.305 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302871270 1067452215 /nfs/dbraw/zinc/45/22/15/1067452215.db2.gz ACYNMTWIGYEWEK-KRWDZBQOSA-N 1 1 459.557 3.325 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304394499 1067455534 /nfs/dbraw/zinc/45/55/34/1067455534.db2.gz FILICQRAGFNZLB-CEXWTWQISA-N 1 1 479.572 3.286 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304394499 1067455540 /nfs/dbraw/zinc/45/55/40/1067455540.db2.gz FILICQRAGFNZLB-CEXWTWQISA-N 1 1 479.572 3.286 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302872729 1067455580 /nfs/dbraw/zinc/45/55/80/1067455580.db2.gz PVBVKTRZTFNGGY-ISKFKSNPSA-N 1 1 482.673 3.323 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001304394828 1067456026 /nfs/dbraw/zinc/45/60/26/1067456026.db2.gz LYXFCYSHUABMQW-SFHVURJKSA-N 1 1 476.572 3.498 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC001302879260 1067460998 /nfs/dbraw/zinc/46/09/98/1067460998.db2.gz NADQUUBJBRBJBU-KDURUIRLSA-N 1 1 461.054 3.486 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302880183 1067461498 /nfs/dbraw/zinc/46/14/98/1067461498.db2.gz PSJQPVNXUYAVCT-ISKFKSNPSA-N 1 1 462.038 3.147 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302880634 1067461945 /nfs/dbraw/zinc/46/19/45/1067461945.db2.gz VTSCKDDDSKOGHY-QTISVLPJSA-N 1 1 452.647 3.479 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001304399598 1067462765 /nfs/dbraw/zinc/46/27/65/1067462765.db2.gz GFXVVFFBZFIFPQ-HSZRJFAPSA-N 1 1 468.602 3.455 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001304401623 1067464192 /nfs/dbraw/zinc/46/41/92/1067464192.db2.gz DLTZURGAXDLZLN-UHFFFAOYSA-N 1 1 487.645 3.112 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001304401623 1067464196 /nfs/dbraw/zinc/46/41/96/1067464196.db2.gz DLTZURGAXDLZLN-UHFFFAOYSA-N 1 1 487.645 3.112 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001304402761 1067464678 /nfs/dbraw/zinc/46/46/78/1067464678.db2.gz VEPXIFKZCXDJEO-PKTZIBPZSA-N 1 1 471.646 3.448 20 0 JGADMO CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302883871 1067465810 /nfs/dbraw/zinc/46/58/10/1067465810.db2.gz FOWGTWADWQMRLF-HSZRJFAPSA-N 1 1 455.647 3.200 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCO2)cc1C ZINC001304404262 1067466233 /nfs/dbraw/zinc/46/62/33/1067466233.db2.gz NYWWCIITRSVIMC-FUPPJEDESA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCO2)cc1C ZINC001304404262 1067466239 /nfs/dbraw/zinc/46/62/39/1067466239.db2.gz NYWWCIITRSVIMC-FUPPJEDESA-N 1 1 457.619 3.198 20 0 JGADMO CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001302886054 1067466657 /nfs/dbraw/zinc/46/66/57/1067466657.db2.gz GCJGTKSSHBOBSS-UHFFFAOYSA-N 1 1 458.676 3.291 20 0 JGADMO CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302886084 1067466718 /nfs/dbraw/zinc/46/67/18/1067466718.db2.gz GTSJOIOBKPPFJD-VWLOTQADSA-N 1 1 496.700 3.462 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302888502 1067468331 /nfs/dbraw/zinc/46/83/31/1067468331.db2.gz BHNJEKLIYUWKDA-DNQXCXABSA-N 1 1 466.674 3.488 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001302890637 1067470171 /nfs/dbraw/zinc/47/01/71/1067470171.db2.gz VPCZWUNOVXMAOW-SANMLTNESA-N 1 1 452.647 3.303 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304410483 1067476564 /nfs/dbraw/zinc/47/65/64/1067476564.db2.gz GCNQGCLMZWNRIP-FCHUYYIVSA-N 1 1 489.686 3.218 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304410483 1067476568 /nfs/dbraw/zinc/47/65/68/1067476568.db2.gz GCNQGCLMZWNRIP-FCHUYYIVSA-N 1 1 489.686 3.218 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302899974 1067482490 /nfs/dbraw/zinc/48/24/90/1067482490.db2.gz PEOQMHSKYAKYQH-OAQYLSRUSA-N 1 1 487.624 3.127 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302899974 1067482496 /nfs/dbraw/zinc/48/24/96/1067482496.db2.gz PEOQMHSKYAKYQH-OAQYLSRUSA-N 1 1 487.624 3.127 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)C[C@H](C)O1 ZINC001302901224 1067484986 /nfs/dbraw/zinc/48/49/86/1067484986.db2.gz GTHKJQLIIRWIJH-HDICACEKSA-N 1 1 487.004 3.053 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)C[C@H](C)O1 ZINC001302901224 1067484988 /nfs/dbraw/zinc/48/49/88/1067484988.db2.gz GTHKJQLIIRWIJH-HDICACEKSA-N 1 1 487.004 3.053 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(-c4cccnc4)n3CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302901622 1067485545 /nfs/dbraw/zinc/48/55/45/1067485545.db2.gz NHMJLJCVDQBUSY-BGYRXZFFSA-N 1 1 456.635 3.481 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2ccn(Cc3ccccc3)n2)C[C@H](C)O1 ZINC001302901779 1067485577 /nfs/dbraw/zinc/48/55/77/1067485577.db2.gz PEKSEDGJCJYVMU-OYRHEFFESA-N 1 1 465.646 3.414 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2ccn(Cc3ccccc3)n2)C[C@H](C)O1 ZINC001302901779 1067485579 /nfs/dbraw/zinc/48/55/79/1067485579.db2.gz PEKSEDGJCJYVMU-OYRHEFFESA-N 1 1 465.646 3.414 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCOC(F)(F)F)C[C@H](C)O1 ZINC001302901862 1067486020 /nfs/dbraw/zinc/48/60/20/1067486020.db2.gz RUHLIESHBOLJHK-GASCZTMLSA-N 1 1 476.931 3.465 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCOC(F)(F)F)C[C@H](C)O1 ZINC001302901862 1067486022 /nfs/dbraw/zinc/48/60/22/1067486022.db2.gz RUHLIESHBOLJHK-GASCZTMLSA-N 1 1 476.931 3.465 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC2(C(N)=O)CCCC2)C[C@H](C)O1 ZINC001302901792 1067486027 /nfs/dbraw/zinc/48/60/27/1067486027.db2.gz PSWNSCUZZJNSAB-CALCHBBNSA-N 1 1 493.027 3.329 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC2(C(N)=O)CCCC2)C[C@H](C)O1 ZINC001302901792 1067486030 /nfs/dbraw/zinc/48/60/30/1067486030.db2.gz PSWNSCUZZJNSAB-CALCHBBNSA-N 1 1 493.027 3.329 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C(=O)N4CCCCC4)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001304415713 1067486764 /nfs/dbraw/zinc/48/67/64/1067486764.db2.gz SCEFIDGZHMTDNY-UHFFFAOYSA-N 1 1 483.661 3.234 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001302902601 1067487461 /nfs/dbraw/zinc/48/74/61/1067487461.db2.gz LUHAAEOUXVYYDB-ZWKOTPCHSA-N 1 1 472.600 3.149 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2COCCO2)cc1C ZINC001304416480 1067488671 /nfs/dbraw/zinc/48/86/71/1067488671.db2.gz NEDJQQGYCJELFY-JOCHJYFZSA-N 1 1 457.619 3.200 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001304417125 1067489314 /nfs/dbraw/zinc/48/93/14/1067489314.db2.gz SNMZRJLKQLGQSO-JOCHJYFZSA-N 1 1 479.629 3.420 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)cc1C ZINC001304417464 1067489592 /nfs/dbraw/zinc/48/95/92/1067489592.db2.gz YAMBOIGFEVBPQK-UHFFFAOYSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)cc1C ZINC001304417464 1067489595 /nfs/dbraw/zinc/48/95/95/1067489595.db2.gz YAMBOIGFEVBPQK-UHFFFAOYSA-N 1 1 489.686 3.362 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302905953 1067490851 /nfs/dbraw/zinc/49/08/51/1067490851.db2.gz WJFXZFNDHFXKTE-VTKNMLBTSA-N 1 1 463.667 3.396 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302905953 1067490854 /nfs/dbraw/zinc/49/08/54/1067490854.db2.gz WJFXZFNDHFXKTE-VTKNMLBTSA-N 1 1 463.667 3.396 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccn3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H](C)O1 ZINC001302907717 1067492505 /nfs/dbraw/zinc/49/25/05/1067492505.db2.gz GTAPPDUZKIOYSE-IYBDPMFKSA-N 1 1 492.521 3.414 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccn3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H](C)O1 ZINC001302907717 1067492507 /nfs/dbraw/zinc/49/25/07/1067492507.db2.gz GTAPPDUZKIOYSE-IYBDPMFKSA-N 1 1 492.521 3.414 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H](C)O1 ZINC001302908874 1067493482 /nfs/dbraw/zinc/49/34/82/1067493482.db2.gz MIZJNVPCQZOPJR-HDICACEKSA-N 1 1 489.546 3.271 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H](C)O1 ZINC001302908874 1067493487 /nfs/dbraw/zinc/49/34/87/1067493487.db2.gz MIZJNVPCQZOPJR-HDICACEKSA-N 1 1 489.546 3.271 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001304419552 1067494520 /nfs/dbraw/zinc/49/45/20/1067494520.db2.gz YLTOAVVWHRBSBB-YADHBBJMSA-N 1 1 468.646 3.345 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC001302909370 1067494624 /nfs/dbraw/zinc/49/46/24/1067494624.db2.gz QCAMJENZGOHTLW-IXDOHACOSA-N 1 1 498.459 3.141 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC001302909370 1067494627 /nfs/dbraw/zinc/49/46/27/1067494627.db2.gz QCAMJENZGOHTLW-IXDOHACOSA-N 1 1 498.459 3.141 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCOC2)C[C@H](C)O1 ZINC001302909418 1067494687 /nfs/dbraw/zinc/49/46/87/1067494687.db2.gz SFPWYYHCBJHWTR-SVFBPWRDSA-N 1 1 462.038 3.494 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCOC2)C[C@H](C)O1 ZINC001302909418 1067494691 /nfs/dbraw/zinc/49/46/91/1067494691.db2.gz SFPWYYHCBJHWTR-SVFBPWRDSA-N 1 1 462.038 3.494 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302909697 1067495232 /nfs/dbraw/zinc/49/52/32/1067495232.db2.gz YIZWJYUKOGSLLD-UNVFRBQDSA-N 1 1 499.059 3.370 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302909697 1067495236 /nfs/dbraw/zinc/49/52/36/1067495236.db2.gz YIZWJYUKOGSLLD-UNVFRBQDSA-N 1 1 499.059 3.370 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302911486 1067497078 /nfs/dbraw/zinc/49/70/78/1067497078.db2.gz WOCLZZDWKKEFFT-KFKAGJAMSA-N 1 1 461.010 3.189 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001304422956 1067499452 /nfs/dbraw/zinc/49/94/52/1067499452.db2.gz SQZVSWMRPDYAGJ-RTWAWAEBSA-N 1 1 459.660 3.344 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302915581 1067499510 /nfs/dbraw/zinc/49/95/10/1067499510.db2.gz VOYNLSKJBUCINR-NYHFZMIOSA-N 1 1 484.428 3.234 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001304424288 1067501223 /nfs/dbraw/zinc/50/12/23/1067501223.db2.gz RUMFLERQWMMDPU-UHFFFAOYSA-N 1 1 461.570 3.011 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001304426092 1067504102 /nfs/dbraw/zinc/50/41/02/1067504102.db2.gz WNMBIHAXEJNNHP-RDPSFJRHSA-N 1 1 471.646 3.303 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302932878 1067508235 /nfs/dbraw/zinc/50/82/35/1067508235.db2.gz FDUOPRILUVPYHQ-DEOSSOPVSA-N 1 1 488.721 3.452 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001302933601 1067508686 /nfs/dbraw/zinc/50/86/86/1067508686.db2.gz MVHBEMBQJSRXOM-UHFFFAOYSA-N 1 1 456.635 3.313 20 0 JGADMO FC(F)(F)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)CC1 ZINC001302936803 1067510251 /nfs/dbraw/zinc/51/02/51/1067510251.db2.gz LFNOKOIGGNAFFA-UHFFFAOYSA-N 1 1 472.943 3.005 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304432717 1067511526 /nfs/dbraw/zinc/51/15/26/1067511526.db2.gz DUSDPBPCWFDCJG-IAGOWNOFSA-N 1 1 482.576 3.230 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302938863 1067512498 /nfs/dbraw/zinc/51/24/98/1067512498.db2.gz UGNKALBRWPVPBR-HSZRJFAPSA-N 1 1 470.710 3.290 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302938863 1067512508 /nfs/dbraw/zinc/51/25/08/1067512508.db2.gz UGNKALBRWPVPBR-HSZRJFAPSA-N 1 1 470.710 3.290 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001302939347 1067513110 /nfs/dbraw/zinc/51/31/10/1067513110.db2.gz WVKIFHLGZMDORL-QFIPXVFZSA-N 1 1 488.702 3.110 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2cnn(C)c2)cc1 ZINC001304437369 1067516562 /nfs/dbraw/zinc/51/65/62/1067516562.db2.gz PDCYVFZMAHMFBM-UHFFFAOYSA-N 1 1 469.659 3.208 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001304437449 1067516675 /nfs/dbraw/zinc/51/66/75/1067516675.db2.gz PZQYHLMJZZYVCU-FQEVSTJZSA-N 1 1 456.660 3.183 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1sccc1Br ZINC001302944786 1067517590 /nfs/dbraw/zinc/51/75/90/1067517590.db2.gz WTQKXLMMMNHECW-QGZVFWFLSA-N 1 1 495.491 3.092 20 0 JGADMO FC(F)C(F)(F)CN1CCN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302944889 1067517644 /nfs/dbraw/zinc/51/76/44/1067517644.db2.gz KYUJZIQWSKWDNC-UHFFFAOYSA-N 1 1 480.554 3.348 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001302945532 1067518497 /nfs/dbraw/zinc/51/84/97/1067518497.db2.gz HKOKAGRBWPMYLG-OALUTQOASA-N 1 1 457.623 3.381 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302947788 1067521316 /nfs/dbraw/zinc/52/13/16/1067521316.db2.gz VQJITNJOSOWZPZ-SFTDATJTSA-N 1 1 478.682 3.279 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302947806 1067521347 /nfs/dbraw/zinc/52/13/47/1067521347.db2.gz VZNMDEQUMNVQQE-NHCUHLMSSA-N 1 1 478.682 3.423 20 0 JGADMO Cc1cccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCOCC2)c1 ZINC001304442007 1067523008 /nfs/dbraw/zinc/52/30/08/1067523008.db2.gz DFEFSQKJQXKFJB-HSZRJFAPSA-N 1 1 481.645 3.312 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302957499 1067528916 /nfs/dbraw/zinc/52/89/16/1067528916.db2.gz QNCKDIIUNMMKDA-NRFANRHFSA-N 1 1 482.673 3.111 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC001304447733 1067529071 /nfs/dbraw/zinc/52/90/71/1067529071.db2.gz JLLMVTNMTLXACD-UHFFFAOYSA-N 1 1 492.672 3.449 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302958950 1067530762 /nfs/dbraw/zinc/53/07/62/1067530762.db2.gz LHPRISDOWQHURP-GOTSBHOMSA-N 1 1 487.737 3.168 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302961107 1067532329 /nfs/dbraw/zinc/53/23/29/1067532329.db2.gz INCPEWIALRHVRB-ISKFKSNPSA-N 1 1 454.663 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302961107 1067532338 /nfs/dbraw/zinc/53/23/38/1067532338.db2.gz INCPEWIALRHVRB-ISKFKSNPSA-N 1 1 454.663 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001302961382 1067532686 /nfs/dbraw/zinc/53/26/86/1067532686.db2.gz MQXUOEWWDKMMQQ-UHFFFAOYSA-N 1 1 460.598 3.463 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001304453360 1067534321 /nfs/dbraw/zinc/53/43/21/1067534321.db2.gz NTROKRHYGWRADS-MRXNPFEDSA-N 1 1 469.540 3.484 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302964173 1067534338 /nfs/dbraw/zinc/53/43/38/1067534338.db2.gz CSBNXHBMTIBJJP-JOCHJYFZSA-N 1 1 460.692 3.217 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304453469 1067534717 /nfs/dbraw/zinc/53/47/17/1067534717.db2.gz YVAJKXXZFREDRF-IFMALSPDSA-N 1 1 482.654 3.182 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CCC[NH+]2CCOCC2)n1 ZINC001304455169 1067536337 /nfs/dbraw/zinc/53/63/37/1067536337.db2.gz XYOQXHRXUXGFHZ-UHFFFAOYSA-N 1 1 475.391 3.363 20 0 JGADMO Cc1cccc(-c2nnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)n2CCC(C)(C)O)n1 ZINC001304461949 1067540721 /nfs/dbraw/zinc/54/07/21/1067540721.db2.gz KAWIPENRCWHWFQ-SIKLNZKXSA-N 1 1 466.634 3.062 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304465090 1067543191 /nfs/dbraw/zinc/54/31/91/1067543191.db2.gz MUBHTEHPZZEIBE-CUWPLCDZSA-N 1 1 469.634 3.482 20 0 JGADMO CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302984305 1067547783 /nfs/dbraw/zinc/54/77/83/1067547783.db2.gz CQNCTTSWIUAWTJ-UNMCSNQZSA-N 1 1 459.660 3.012 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302985802 1067548538 /nfs/dbraw/zinc/54/85/38/1067548538.db2.gz NCPYRJGCOXFGHM-LMNJBCLMSA-N 1 1 459.038 3.395 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001304469722 1067548880 /nfs/dbraw/zinc/54/88/80/1067548880.db2.gz VFERPSGDRFQPHU-UHFFFAOYSA-N 1 1 464.618 3.375 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304472915 1067551144 /nfs/dbraw/zinc/55/11/44/1067551144.db2.gz AJGONGYQSRLDDC-FGZHOGPDSA-N 1 1 453.635 3.216 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001304477489 1067555825 /nfs/dbraw/zinc/55/58/25/1067555825.db2.gz KKEYTPYHUKXFIB-HXUWFJFHSA-N 1 1 499.660 3.205 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001304477489 1067555832 /nfs/dbraw/zinc/55/58/32/1067555832.db2.gz KKEYTPYHUKXFIB-HXUWFJFHSA-N 1 1 499.660 3.205 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001302998099 1067556707 /nfs/dbraw/zinc/55/67/07/1067556707.db2.gz GSOVGSOLFMIKJG-UXHICEINSA-N 1 1 474.675 3.110 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+](C)Cc2ccccc2)n1 ZINC001304479000 1067558235 /nfs/dbraw/zinc/55/82/35/1067558235.db2.gz PKWLYYFALCHGNG-QFIPXVFZSA-N 1 1 475.641 3.474 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(=O)Nc4ccccc4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304479447 1067558670 /nfs/dbraw/zinc/55/86/70/1067558670.db2.gz YFEPXMTWTFRBFQ-UHFFFAOYSA-N 1 1 490.656 3.140 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCCOC(C)C)n1 ZINC001304479855 1067559345 /nfs/dbraw/zinc/55/93/45/1067559345.db2.gz DMLKJZOMXDTSPB-ZRZAMGCNSA-N 1 1 469.678 3.458 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001304479837 1067559405 /nfs/dbraw/zinc/55/94/05/1067559405.db2.gz DCNPHPXYTCDCLY-LJQANCHMSA-N 1 1 465.568 3.453 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@@H]3C)n2CCCC(=O)N(C)C)n1 ZINC001304480934 1067560624 /nfs/dbraw/zinc/56/06/24/1067560624.db2.gz VZGKSSDUFRKQTP-NRFANRHFSA-N 1 1 461.614 3.228 20 0 JGADMO Cc1cccc(CC2(O)CCN(c3nnc([C@H]4CCOC4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001304483877 1067563253 /nfs/dbraw/zinc/56/32/53/1067563253.db2.gz YAHCVAJAYOLUAH-QHCPKHFHSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCc2cccc(C)n2)n1 ZINC001304489415 1067567710 /nfs/dbraw/zinc/56/77/10/1067567710.db2.gz YQFHZHQNPVQLPE-UHFFFAOYSA-N 1 1 450.635 3.396 20 0 JGADMO Cc1cccc(CCn2c(Cc3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC001304492671 1067570078 /nfs/dbraw/zinc/57/00/78/1067570078.db2.gz CQOLSESGJAHZMA-UHFFFAOYSA-N 1 1 463.630 3.005 20 0 JGADMO Cc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001304493396 1067570349 /nfs/dbraw/zinc/57/03/49/1067570349.db2.gz DUHFXPIWHPEPIF-UHFFFAOYSA-N 1 1 467.643 3.136 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303020196 1067572416 /nfs/dbraw/zinc/57/24/16/1067572416.db2.gz ADUXWSJLPJGVNZ-CLJLJLNGSA-N 1 1 489.636 3.484 20 0 JGADMO CC(C)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303021490 1067573236 /nfs/dbraw/zinc/57/32/36/1067573236.db2.gz OLJZGYRFYABOCW-OAQYLSRUSA-N 1 1 474.675 3.306 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304501811 1067576013 /nfs/dbraw/zinc/57/60/13/1067576013.db2.gz GSTHZMQSNRUZKJ-QFIPXVFZSA-N 1 1 457.619 3.282 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304501811 1067576018 /nfs/dbraw/zinc/57/60/18/1067576018.db2.gz GSTHZMQSNRUZKJ-QFIPXVFZSA-N 1 1 457.619 3.282 20 0 JGADMO Cc1cccc(NC(=O)CN2CCN(c3nnc(C4CCC4)n3CC[N@H+](C)C(C)C)CC2)c1C ZINC001304501528 1067576039 /nfs/dbraw/zinc/57/60/39/1067576039.db2.gz ZHJCQICXSDVSLX-UHFFFAOYSA-N 1 1 467.662 3.263 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@H]3CCSC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304502713 1067577010 /nfs/dbraw/zinc/57/70/10/1067577010.db2.gz KTRLOFJCRVANAH-UNMCSNQZSA-N 1 1 459.660 3.464 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304502710 1067577034 /nfs/dbraw/zinc/57/70/34/1067577034.db2.gz KTRLOFJCRVANAH-IFMALSPDSA-N 1 1 459.660 3.464 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001304504529 1067578472 /nfs/dbraw/zinc/57/84/72/1067578472.db2.gz UVDLKQKEWPODRP-OAQYLSRUSA-N 1 1 468.646 3.379 20 0 JGADMO CC(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001303031765 1067580054 /nfs/dbraw/zinc/58/00/54/1067580054.db2.gz PQZIFQIVIOWBMM-JOCHJYFZSA-N 1 1 459.660 3.329 20 0 JGADMO CC(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001303031765 1067580060 /nfs/dbraw/zinc/58/00/60/1067580060.db2.gz PQZIFQIVIOWBMM-JOCHJYFZSA-N 1 1 459.660 3.329 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001304509595 1067584061 /nfs/dbraw/zinc/58/40/61/1067584061.db2.gz SGWNYBYAFASGQI-JOCHJYFZSA-N 1 1 489.686 3.301 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001304509595 1067584066 /nfs/dbraw/zinc/58/40/66/1067584066.db2.gz SGWNYBYAFASGQI-JOCHJYFZSA-N 1 1 489.686 3.301 20 0 JGADMO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001303039304 1067584565 /nfs/dbraw/zinc/58/45/65/1067584565.db2.gz SVOFSUKYLGTCNK-GOSISDBHSA-N 1 1 495.455 3.191 20 0 JGADMO CC(C)CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303040504 1067585488 /nfs/dbraw/zinc/58/54/88/1067585488.db2.gz GURPYWNROZCQHL-FQEVSTJZSA-N 1 1 477.675 3.332 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001304511377 1067586779 /nfs/dbraw/zinc/58/67/79/1067586779.db2.gz AMXSDCNVAQZOBA-QTYPKTMWSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001304511377 1067586782 /nfs/dbraw/zinc/58/67/82/1067586782.db2.gz AMXSDCNVAQZOBA-QTYPKTMWSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2C[C@](C)(O)C(C)C)c1 ZINC001304511487 1067587173 /nfs/dbraw/zinc/58/71/73/1067587173.db2.gz CSZQYDTVVPDZHD-RLWLMLJZSA-N 1 1 471.646 3.262 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CC(F)(F)CO2)c1 ZINC001304512919 1067590051 /nfs/dbraw/zinc/59/00/51/1067590051.db2.gz XVLBKLNWQKCHAT-OAQYLSRUSA-N 1 1 479.572 3.137 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001304512918 1067590079 /nfs/dbraw/zinc/59/00/79/1067590079.db2.gz XVLBKLNWQKCHAT-NRFANRHFSA-N 1 1 479.572 3.137 20 0 JGADMO CC(=O)c1ccc(Nc2ccccc2C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001303054886 1067594040 /nfs/dbraw/zinc/59/40/40/1067594040.db2.gz XQNRGVFRSNXQKL-QHCPKHFHSA-N 1 1 450.583 3.159 20 0 JGADMO Cc1ccccc1C1(Cn2c(C(=O)NC(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001304519766 1067595282 /nfs/dbraw/zinc/59/52/82/1067595282.db2.gz INKUKZJVHCUBLJ-OYRHEFFESA-N 1 1 468.646 3.002 20 0 JGADMO Cc1ccccc1C1(Cn2c(C(=O)NC(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001304519766 1067595288 /nfs/dbraw/zinc/59/52/88/1067595288.db2.gz INKUKZJVHCUBLJ-OYRHEFFESA-N 1 1 468.646 3.002 20 0 JGADMO CC(C)CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC001303057782 1067595634 /nfs/dbraw/zinc/59/56/34/1067595634.db2.gz NQROIOBBCCPTLP-AREMUKBSSA-N 1 1 490.693 3.474 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304522837 1067597503 /nfs/dbraw/zinc/59/75/03/1067597503.db2.gz WQYYQCQMMXITEF-UHFFFAOYSA-N 1 1 464.662 3.266 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304522837 1067597508 /nfs/dbraw/zinc/59/75/08/1067597508.db2.gz WQYYQCQMMXITEF-UHFFFAOYSA-N 1 1 464.662 3.266 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304522837 1067597513 /nfs/dbraw/zinc/59/75/13/1067597513.db2.gz WQYYQCQMMXITEF-UHFFFAOYSA-N 1 1 464.662 3.266 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001304523796 1067597837 /nfs/dbraw/zinc/59/78/37/1067597837.db2.gz BQFVTIYYFMULSU-PZJWPPBQSA-N 1 1 459.660 3.389 20 0 JGADMO CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001303069805 1067604329 /nfs/dbraw/zinc/60/43/29/1067604329.db2.gz UNWCNVJYCQIKLX-LPHOPBHVSA-N 1 1 465.440 3.249 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304534569 1067605086 /nfs/dbraw/zinc/60/50/86/1067605086.db2.gz IVKQLKYLMTWUMJ-QFIPXVFZSA-N 1 1 484.645 3.279 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001304534646 1067605142 /nfs/dbraw/zinc/60/51/42/1067605142.db2.gz HWMLZTHRRYJXPL-QFIPXVFZSA-N 1 1 488.702 3.093 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCOC(C)(C)C ZINC001304537022 1067608575 /nfs/dbraw/zinc/60/85/75/1067608575.db2.gz KVOMAASCGWEQGC-QHCPKHFHSA-N 1 1 484.689 3.300 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCOC(C)(C)C ZINC001304537021 1067608610 /nfs/dbraw/zinc/60/86/10/1067608610.db2.gz KVOMAASCGWEQGC-HSZRJFAPSA-N 1 1 484.689 3.300 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001304537567 1067609374 /nfs/dbraw/zinc/60/93/74/1067609374.db2.gz QOVXQZQICAYQAW-UXHICEINSA-N 1 1 480.579 3.173 20 0 JGADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001304541595 1067612067 /nfs/dbraw/zinc/61/20/67/1067612067.db2.gz BVABWNUILBUIJD-UHFFFAOYSA-N 1 1 496.700 3.177 20 0 JGADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001304541595 1067612071 /nfs/dbraw/zinc/61/20/71/1067612071.db2.gz BVABWNUILBUIJD-UHFFFAOYSA-N 1 1 496.700 3.177 20 0 JGADMO CC(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001303080222 1067614173 /nfs/dbraw/zinc/61/41/73/1067614173.db2.gz JCJCIWBCBMVIJC-XMMPIXPASA-N 1 1 454.663 3.472 20 0 JGADMO CC(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303081614 1067615260 /nfs/dbraw/zinc/61/52/60/1067615260.db2.gz LYGFBHDHJPAOGH-NRFANRHFSA-N 1 1 459.038 3.311 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001304546636 1067615760 /nfs/dbraw/zinc/61/57/60/1067615760.db2.gz BDVXKNXUPGBUNY-OAQYLSRUSA-N 1 1 461.676 3.169 20 0 JGADMO Cc1ccccc1Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001304549000 1067618157 /nfs/dbraw/zinc/61/81/57/1067618157.db2.gz AYLPTSRDKRZNJZ-XJUOHMSHSA-N 1 1 498.672 3.247 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001304549636 1067619056 /nfs/dbraw/zinc/61/90/56/1067619056.db2.gz QFQNDPYTOJSHKW-LJQANCHMSA-N 1 1 461.676 3.169 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001304551053 1067620478 /nfs/dbraw/zinc/62/04/78/1067620478.db2.gz ONVXCABFLLMIIJ-JOCHJYFZSA-N 1 1 473.687 3.169 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(=O)NC(C)C ZINC001304551098 1067620516 /nfs/dbraw/zinc/62/05/16/1067620516.db2.gz PFBRRSFHASEFGZ-SZPZYZBQSA-N 1 1 482.673 3.028 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001304558771 1067627974 /nfs/dbraw/zinc/62/79/74/1067627974.db2.gz GEDBJUZHQSLNRH-HXUWFJFHSA-N 1 1 467.662 3.290 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001303094949 1067631468 /nfs/dbraw/zinc/63/14/68/1067631468.db2.gz KVQQXPBZFJEKCL-NRFANRHFSA-N 1 1 498.672 3.148 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001304562238 1067632710 /nfs/dbraw/zinc/63/27/10/1067632710.db2.gz UWHTWUBFHQLGSE-UHFFFAOYSA-N 1 1 473.687 3.313 20 0 JGADMO Cc1ccccc1CN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304569782 1067637413 /nfs/dbraw/zinc/63/74/13/1067637413.db2.gz BVAOZQGFNKVTNV-HSZRJFAPSA-N 1 1 454.663 3.391 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001303099419 1067637376 /nfs/dbraw/zinc/63/73/76/1067637376.db2.gz JHABLXWXNFFJCA-OAQYLSRUSA-N 1 1 489.686 3.337 20 0 JGADMO Cc1ccccc1CN1CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001304571031 1067639032 /nfs/dbraw/zinc/63/90/32/1067639032.db2.gz VJHFRFCXMJRDSL-UHFFFAOYSA-N 1 1 481.689 3.311 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001303103468 1067642066 /nfs/dbraw/zinc/64/20/66/1067642066.db2.gz WWJNHRNGJXJWRQ-HXUWFJFHSA-N 1 1 454.619 3.133 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303108917 1067646525 /nfs/dbraw/zinc/64/65/25/1067646525.db2.gz AZUCHPAHLVODDX-JTHBVZDNSA-N 1 1 463.667 3.170 20 0 JGADMO CC(C)CCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303113270 1067651329 /nfs/dbraw/zinc/65/13/29/1067651329.db2.gz LQGNISOOSAMPAO-IBGZPJMESA-N 1 1 465.545 3.130 20 0 JGADMO CC(C)CCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303113270 1067651334 /nfs/dbraw/zinc/65/13/34/1067651334.db2.gz LQGNISOOSAMPAO-IBGZPJMESA-N 1 1 465.545 3.130 20 0 JGADMO Cc1ccccc1OCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304582159 1067651370 /nfs/dbraw/zinc/65/13/70/1067651370.db2.gz XHFFNGMATCZXPE-HSZRJFAPSA-N 1 1 457.619 3.454 20 0 JGADMO CCOC(=O)c1csc(CC2CCN(C(=O)[C@@H](C(CC)CC)[NH+]3CCOCC3)CC2)n1 ZINC001303115074 1067652608 /nfs/dbraw/zinc/65/26/08/1067652608.db2.gz FDFRKJKDUDPQEL-OAQYLSRUSA-N 1 1 451.633 3.238 20 0 JGADMO CC1=CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001304586948 1067655707 /nfs/dbraw/zinc/65/57/07/1067655707.db2.gz QKVKULMYYUYKKL-FQEVSTJZSA-N 1 1 450.356 3.070 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC=C(C)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304596624 1067660211 /nfs/dbraw/zinc/66/02/11/1067660211.db2.gz FEHNXRWSSIAREQ-QHCPKHFHSA-N 1 1 450.631 3.276 20 0 JGADMO O[C@@H](COc1ccccc1)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCCC(F)(F)F)CC1 ZINC001303135450 1067675876 /nfs/dbraw/zinc/67/58/76/1067675876.db2.gz HGMQVECNHCTTBD-HXUWFJFHSA-N 1 1 490.530 3.245 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303143181 1067681831 /nfs/dbraw/zinc/68/18/31/1067681831.db2.gz ATNRCNPMWHOUHM-RTBURBONSA-N 1 1 459.557 3.015 20 0 JGADMO Cc1csc([C@H](C)Cn2c(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)n1 ZINC001304617904 1067685997 /nfs/dbraw/zinc/68/59/97/1067685997.db2.gz DUKFTCRNMHDFGW-TZIWHRDSSA-N 1 1 489.734 3.375 20 0 JGADMO OCCCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303148838 1067687082 /nfs/dbraw/zinc/68/70/82/1067687082.db2.gz ASFKIQNXXNOFGB-QGZVFWFLSA-N 1 1 498.853 3.435 20 0 JGADMO OCCCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303148838 1067687085 /nfs/dbraw/zinc/68/70/85/1067687085.db2.gz ASFKIQNXXNOFGB-QGZVFWFLSA-N 1 1 498.853 3.435 20 0 JGADMO Cc1csc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC001304619099 1067687316 /nfs/dbraw/zinc/68/73/16/1067687316.db2.gz GFSGQCLCZQXFEG-GOSISDBHSA-N 1 1 456.664 3.491 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303153195 1067690530 /nfs/dbraw/zinc/69/05/30/1067690530.db2.gz SSLGXNSNWAUSGU-ZWKOTPCHSA-N 1 1 473.927 3.213 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303153193 1067690570 /nfs/dbraw/zinc/69/05/70/1067690570.db2.gz SSLGXNSNWAUSGU-QZTJIDSGSA-N 1 1 473.927 3.213 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303153192 1067690578 /nfs/dbraw/zinc/69/05/78/1067690578.db2.gz SSLGXNSNWAUSGU-MSOLQXFVSA-N 1 1 473.927 3.213 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1 ZINC001303153371 1067691014 /nfs/dbraw/zinc/69/10/14/1067691014.db2.gz ZGOFZZJHHVGFJR-QGZVFWFLSA-N 1 1 481.826 3.329 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC=C(Br)C1 ZINC001303153279 1067691090 /nfs/dbraw/zinc/69/10/90/1067691090.db2.gz WMAMLEYSMOAOAD-HXUWFJFHSA-N 1 1 478.410 3.344 20 0 JGADMO CC(C)CN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC001303154159 1067691618 /nfs/dbraw/zinc/69/16/18/1067691618.db2.gz NVLRGRHDBRBMJH-HSZRJFAPSA-N 1 1 495.672 3.420 20 0 JGADMO CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001303161862 1067699139 /nfs/dbraw/zinc/69/91/39/1067699139.db2.gz JHJZOEBHMZLADT-HXUWFJFHSA-N 1 1 474.675 3.037 20 0 JGADMO CC(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001303161887 1067699198 /nfs/dbraw/zinc/69/91/98/1067699198.db2.gz KOBWCFVXGPRVFC-UHFFFAOYSA-N 1 1 463.026 3.065 20 0 JGADMO Cc1csc(N2CCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)n1 ZINC001304634607 1067703573 /nfs/dbraw/zinc/70/35/73/1067703573.db2.gz FBQXQRVSTJDUDU-HXUWFJFHSA-N 1 1 461.680 3.069 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)C1 ZINC001303172352 1067705138 /nfs/dbraw/zinc/70/51/38/1067705138.db2.gz FCRGMLCLVQCNHY-PZJWPPBQSA-N 1 1 489.064 3.455 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001303172428 1067705408 /nfs/dbraw/zinc/70/54/08/1067705408.db2.gz GJLRUVFVLNAPTG-FCHUYYIVSA-N 1 1 498.720 3.425 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001303172418 1067705422 /nfs/dbraw/zinc/70/54/22/1067705422.db2.gz GEPDTRYZHMLYJK-RBUKOAKNSA-N 1 1 465.639 3.322 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCOCC2)C1 ZINC001303172510 1067705852 /nfs/dbraw/zinc/70/58/52/1067705852.db2.gz IDIMNKGQQZFVME-KRWDZBQOSA-N 1 1 465.440 3.251 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303172704 1067706541 /nfs/dbraw/zinc/70/65/41/1067706541.db2.gz LXBBKXKCSOOYTH-FQEVSTJZSA-N 1 1 486.686 3.286 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(OCC3CC3)CC2)C1 ZINC001303172756 1067706594 /nfs/dbraw/zinc/70/65/94/1067706594.db2.gz MTJOUBDNJWKIKC-NRFANRHFSA-N 1 1 460.667 3.180 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001303172642 1067706679 /nfs/dbraw/zinc/70/66/79/1067706679.db2.gz LAMSMVQROXXHQZ-NRFANRHFSA-N 1 1 453.635 3.190 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001303173201 1067707115 /nfs/dbraw/zinc/70/71/15/1067707115.db2.gz PIYDKEDMTIIGMJ-SJORKVTESA-N 1 1 463.001 3.417 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001303173500 1067707554 /nfs/dbraw/zinc/70/75/54/1067707554.db2.gz RKDOYWHLMGJKJL-IRXDYDNUSA-N 1 1 494.482 3.114 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001303174263 1067707564 /nfs/dbraw/zinc/70/75/64/1067707564.db2.gz XCNQATLSYHNLCT-QZTJIDSGSA-N 1 1 483.082 3.231 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccnc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001303173564 1067707595 /nfs/dbraw/zinc/70/75/95/1067707595.db2.gz SINFVLCXUJRYDZ-NRFANRHFSA-N 1 1 453.635 3.190 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCCC3)C2)C1 ZINC001303174363 1067707961 /nfs/dbraw/zinc/70/79/61/1067707961.db2.gz XTOHRPFNGXIUMK-NHCUHLMSSA-N 1 1 480.723 3.417 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001303174644 1067708041 /nfs/dbraw/zinc/70/80/41/1067708041.db2.gz ZXIAAXOFPWEXQZ-UNMCSNQZSA-N 1 1 489.064 3.455 20 0 JGADMO CC(C)CN1C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@H](C)C3)CCN2C1=O ZINC001303176490 1067709378 /nfs/dbraw/zinc/70/93/78/1067709378.db2.gz OYONUAVXTGLTBI-ACRUOGEOSA-N 1 1 459.683 3.278 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001303177154 1067709599 /nfs/dbraw/zinc/70/95/99/1067709599.db2.gz GRRSHKIOTNFDGM-PMACEKPBSA-N 1 1 472.600 3.224 20 0 JGADMO Cc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC001304641478 1067709690 /nfs/dbraw/zinc/70/96/90/1067709690.db2.gz MAEIRIDHAMHNRZ-HXUWFJFHSA-N 1 1 467.643 3.249 20 0 JGADMO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1=O ZINC001303177586 1067710646 /nfs/dbraw/zinc/71/06/46/1067710646.db2.gz FDODGWPJEBVANZ-OAQYLSRUSA-N 1 1 482.673 3.149 20 0 JGADMO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1=O ZINC001303177586 1067710655 /nfs/dbraw/zinc/71/06/55/1067710655.db2.gz FDODGWPJEBVANZ-OAQYLSRUSA-N 1 1 482.673 3.149 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C(C)C)C2)C1 ZINC001303179328 1067712792 /nfs/dbraw/zinc/71/27/92/1067712792.db2.gz UHZTUEZWXHWMHY-RTWAWAEBSA-N 1 1 488.702 3.499 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303179322 1067712905 /nfs/dbraw/zinc/71/29/05/1067712905.db2.gz UFVLHRJOWSEHDL-RBUKOAKNSA-N 1 1 470.584 3.103 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303179346 1067713349 /nfs/dbraw/zinc/71/33/49/1067713349.db2.gz UOECKIHEUFTNEV-SLFFLAALSA-N 1 1 472.600 3.223 20 0 JGADMO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1=O ZINC001303181904 1067713993 /nfs/dbraw/zinc/71/39/93/1067713993.db2.gz AEIFOJFENFPHHB-OAQYLSRUSA-N 1 1 482.673 3.149 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1=O ZINC001303184001 1067716890 /nfs/dbraw/zinc/71/68/90/1067716890.db2.gz OKNYVSLPRPWVHL-DCFHFQCYSA-N 1 1 482.673 3.002 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001304650899 1067718630 /nfs/dbraw/zinc/71/86/30/1067718630.db2.gz LRGWWWDBCYKVBF-UHFFFAOYSA-N 1 1 476.050 3.429 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001304650899 1067718635 /nfs/dbraw/zinc/71/86/35/1067718635.db2.gz LRGWWWDBCYKVBF-UHFFFAOYSA-N 1 1 476.050 3.429 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001303185458 1067720650 /nfs/dbraw/zinc/72/06/50/1067720650.db2.gz DEBZOPSJKXCNLC-UHFFFAOYSA-N 1 1 466.051 3.201 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001304653178 1067721154 /nfs/dbraw/zinc/72/11/54/1067721154.db2.gz QLGUQQLQGANXCW-FQEVSTJZSA-N 1 1 481.670 3.490 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C1=O ZINC001303186005 1067721727 /nfs/dbraw/zinc/72/17/27/1067721727.db2.gz SYCKNNXGUIYXJZ-IBGZPJMESA-N 1 1 489.064 3.402 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C1=O ZINC001303186005 1067721731 /nfs/dbraw/zinc/72/17/31/1067721731.db2.gz SYCKNNXGUIYXJZ-IBGZPJMESA-N 1 1 489.064 3.402 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1=O ZINC001303188699 1067722627 /nfs/dbraw/zinc/72/26/27/1067722627.db2.gz LBSQASQHKYBZPB-NRFANRHFSA-N 1 1 461.614 3.165 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@H](C)C1=O ZINC001303188345 1067722699 /nfs/dbraw/zinc/72/26/99/1067722699.db2.gz HPANRASBSQKOSR-VQTJNVASSA-N 1 1 455.651 3.477 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1=O ZINC001303189654 1067724096 /nfs/dbraw/zinc/72/40/96/1067724096.db2.gz VBMOFEHSORPXHP-NRFANRHFSA-N 1 1 463.630 3.109 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001303189492 1067724168 /nfs/dbraw/zinc/72/41/68/1067724168.db2.gz SPGKPVCLGSREDV-OAQYLSRUSA-N 1 1 461.614 3.165 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001304656155 1067724423 /nfs/dbraw/zinc/72/44/23/1067724423.db2.gz HIVFFVAPNRIMTQ-KDURUIRLSA-N 1 1 476.691 3.386 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CCO[C@@H]2C(C)C)cs1 ZINC001304657466 1067725978 /nfs/dbraw/zinc/72/59/78/1067725978.db2.gz XYBAGCDZOYCFPK-DENIHFKCSA-N 1 1 476.691 3.242 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CCO[C@@H]2C(C)C)cs1 ZINC001304657466 1067725985 /nfs/dbraw/zinc/72/59/85/1067725985.db2.gz XYBAGCDZOYCFPK-DENIHFKCSA-N 1 1 476.691 3.242 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001304664145 1067730301 /nfs/dbraw/zinc/73/03/01/1067730301.db2.gz RZHGLXAZAAKJCZ-RHGYRFJNSA-N 1 1 473.691 3.094 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(NC(=O)c4ccccc4)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304665368 1067731856 /nfs/dbraw/zinc/73/18/56/1067731856.db2.gz AFPMIKFUNYBYFP-UHFFFAOYSA-N 1 1 481.670 3.373 20 0 JGADMO CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)[C@H](C)C1=O ZINC001303198916 1067734938 /nfs/dbraw/zinc/73/49/38/1067734938.db2.gz PAQKICRMMHBESK-RBUKOAKNSA-N 1 1 472.609 3.172 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001303200609 1067736485 /nfs/dbraw/zinc/73/64/85/1067736485.db2.gz CWNVSCIFDRTGQY-DNQXCXABSA-N 1 1 454.663 3.469 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001303200609 1067736490 /nfs/dbraw/zinc/73/64/90/1067736490.db2.gz CWNVSCIFDRTGQY-DNQXCXABSA-N 1 1 454.663 3.469 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001303200611 1067736569 /nfs/dbraw/zinc/73/65/69/1067736569.db2.gz CWNVSCIFDRTGQY-RPWUZVMVSA-N 1 1 454.663 3.469 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001303200611 1067736572 /nfs/dbraw/zinc/73/65/72/1067736572.db2.gz CWNVSCIFDRTGQY-RPWUZVMVSA-N 1 1 454.663 3.469 20 0 JGADMO CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCC(CCCN3CCOCC3)CC2)C1 ZINC001303201445 1067737151 /nfs/dbraw/zinc/73/71/51/1067737151.db2.gz LCNZXWGGQMLBSI-DEOSSOPVSA-N 1 1 476.710 3.087 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCC(CCCN3CCOCC3)CC2)C1 ZINC001303201445 1067737155 /nfs/dbraw/zinc/73/71/55/1067737155.db2.gz LCNZXWGGQMLBSI-DEOSSOPVSA-N 1 1 476.710 3.087 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2ccsc2)C1 ZINC001303201839 1067737925 /nfs/dbraw/zinc/73/79/25/1067737925.db2.gz PZGAVVRJNHTEMQ-VQTJNVASSA-N 1 1 460.648 3.176 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2CCNC(=O)C(C)C)cs1 ZINC001304669704 1067738124 /nfs/dbraw/zinc/73/81/24/1067738124.db2.gz IMSFEHJSWQBMDF-KRWDZBQOSA-N 1 1 487.699 3.351 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)C1 ZINC001303202378 1067738425 /nfs/dbraw/zinc/73/84/25/1067738425.db2.gz XXXGGJWSYWYMPD-QMMLZNLJSA-N 1 1 493.027 3.013 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001303202337 1067738591 /nfs/dbraw/zinc/73/85/91/1067738591.db2.gz XFKKKTWKICZQOV-JZXOWHBKSA-N 1 1 481.439 3.006 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccnc3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001303204052 1067740193 /nfs/dbraw/zinc/74/01/93/1067740193.db2.gz FELVMDGYKCUGNV-JOCHJYFZSA-N 1 1 499.566 3.050 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCOC(C)(C)C)cs1 ZINC001304671821 1067740991 /nfs/dbraw/zinc/74/09/91/1067740991.db2.gz XWERIBNAUSVNRI-KRWDZBQOSA-N 1 1 462.664 3.138 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC001303204368 1067741179 /nfs/dbraw/zinc/74/11/79/1067741179.db2.gz IJZBERVJDDFHIC-LEWJYISDSA-N 1 1 471.646 3.500 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001304672233 1067741372 /nfs/dbraw/zinc/74/13/72/1067741372.db2.gz AUTMQQZYVVRPDZ-NRFANRHFSA-N 1 1 487.718 3.306 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N(C)Cc3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303204763 1067741726 /nfs/dbraw/zinc/74/17/26/1067741726.db2.gz OHAMBMLBEQTKMK-GBXCKJPGSA-N 1 1 477.675 3.373 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N(C)Cc3cccs3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303204765 1067741833 /nfs/dbraw/zinc/74/18/33/1067741833.db2.gz OHAMBMLBEQTKMK-RDPSFJRHSA-N 1 1 477.675 3.373 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCC(OC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303204775 1067741921 /nfs/dbraw/zinc/74/19/21/1067741921.db2.gz OOZAUFBOEPXIEP-BVAGGSTKSA-N 1 1 493.693 3.069 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)nnc2C(C)(C)C)C1 ZINC001303206572 1067744097 /nfs/dbraw/zinc/74/40/97/1067744097.db2.gz UEHYVRSSSZZAOB-GMAHTHKFSA-N 1 1 488.721 3.407 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C1 ZINC001303206587 1067744108 /nfs/dbraw/zinc/74/41/08/1067744108.db2.gz UFQXUNNLYPNWNG-YTQUADARSA-N 1 1 487.592 3.443 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)nnc2C(C)(C)C)C1 ZINC001303206570 1067744130 /nfs/dbraw/zinc/74/41/30/1067744130.db2.gz UEHYVRSSSZZAOB-GGAORHGYSA-N 1 1 488.721 3.407 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001303206635 1067744147 /nfs/dbraw/zinc/74/41/47/1067744147.db2.gz VFWWLCVXBXYKCP-FUHWJXTLSA-N 1 1 451.040 3.292 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CC2)C1 ZINC001303206673 1067744673 /nfs/dbraw/zinc/74/46/73/1067744673.db2.gz VUVQLTGAULJIMC-TZIWHRDSSA-N 1 1 476.666 3.348 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001303207073 1067745126 /nfs/dbraw/zinc/74/51/26/1067745126.db2.gz YKXMWOPZMGWICW-MJGOQNOKSA-N 1 1 463.026 3.354 20 0 JGADMO CC(C)CN(c1nnc(CN2CCCC2=O)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC001303208129 1067746247 /nfs/dbraw/zinc/74/62/47/1067746247.db2.gz WYLZEZPEHMFUQM-JOCHJYFZSA-N 1 1 460.667 3.162 20 0 JGADMO Cc1nc(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)C2)no1 ZINC001304676987 1067749050 /nfs/dbraw/zinc/74/90/50/1067749050.db2.gz NGJQHLBPQGIJAR-DENIHFKCSA-N 1 1 494.644 3.087 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001303216718 1067754170 /nfs/dbraw/zinc/75/41/70/1067754170.db2.gz WORWPGDDGIHWIM-ZRBLBEILSA-N 1 1 490.693 3.455 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001303226624 1067762592 /nfs/dbraw/zinc/76/25/92/1067762592.db2.gz NRJGPLVUSLJTNG-FQEVSTJZSA-N 1 1 476.069 3.271 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001303226624 1067762601 /nfs/dbraw/zinc/76/26/01/1067762601.db2.gz NRJGPLVUSLJTNG-FQEVSTJZSA-N 1 1 476.069 3.271 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001303226624 1067762609 /nfs/dbraw/zinc/76/26/09/1067762609.db2.gz NRJGPLVUSLJTNG-FQEVSTJZSA-N 1 1 476.069 3.271 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC001304692842 1067766252 /nfs/dbraw/zinc/76/62/52/1067766252.db2.gz HKMLDHDPRIAVFL-YLJYHZDGSA-N 1 1 488.683 3.102 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC001304692842 1067766259 /nfs/dbraw/zinc/76/62/59/1067766259.db2.gz HKMLDHDPRIAVFL-YLJYHZDGSA-N 1 1 488.683 3.102 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001303234935 1067767425 /nfs/dbraw/zinc/76/74/25/1067767425.db2.gz FLOIBLVZUAMFEL-FDDCHVKYSA-N 1 1 498.455 3.482 20 0 JGADMO Cc1ncc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304696967 1067768187 /nfs/dbraw/zinc/76/81/87/1067768187.db2.gz CTUSYKGDWDTPIX-GASCZTMLSA-N 1 1 462.023 3.352 20 0 JGADMO Cc1ncc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304696967 1067768197 /nfs/dbraw/zinc/76/81/97/1067768197.db2.gz CTUSYKGDWDTPIX-GASCZTMLSA-N 1 1 462.023 3.352 20 0 JGADMO CC(C)CSCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001303243733 1067772193 /nfs/dbraw/zinc/77/21/93/1067772193.db2.gz QTDJKVSHCNVIHO-IRLDBZIGSA-N 1 1 458.676 3.200 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(C)C)cn1 ZINC001304701332 1067772267 /nfs/dbraw/zinc/77/22/67/1067772267.db2.gz GRTASYKDGYAFGN-UHFFFAOYSA-N 1 1 479.610 3.378 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@@H](C)CC(N)=O)cn1 ZINC001304701631 1067772645 /nfs/dbraw/zinc/77/26/45/1067772645.db2.gz LXHYNUWQXQGXIL-HNNXBMFYSA-N 1 1 464.961 3.236 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(C)C)C2)cc1F ZINC001304702350 1067774063 /nfs/dbraw/zinc/77/40/63/1067774063.db2.gz WQKXQGQOUALBRV-LPHOPBHVSA-N 1 1 489.621 3.052 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(Cc3ccsc3)nnc2N(C)CCNC(=O)C(C)C)cn1 ZINC001304702306 1067774114 /nfs/dbraw/zinc/77/41/14/1067774114.db2.gz VKCXTVANBJFGHK-UHFFFAOYSA-N 1 1 478.626 3.076 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N2CCC(S(C)(=O)=O)CC2)cc1F ZINC001304702362 1067774241 /nfs/dbraw/zinc/77/42/41/1067774241.db2.gz XATGHTVSXMMXOK-UHFFFAOYSA-N 1 1 474.606 3.172 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001304703132 1067775362 /nfs/dbraw/zinc/77/53/62/1067775362.db2.gz LYMBDSZIQXJZPS-FQEVSTJZSA-N 1 1 453.566 3.085 20 0 JGADMO CC(C)CSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303249196 1067775462 /nfs/dbraw/zinc/77/54/62/1067775462.db2.gz OBCLOHADEBDPTD-QFIPXVFZSA-N 1 1 488.677 3.140 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001304703284 1067775496 /nfs/dbraw/zinc/77/54/96/1067775496.db2.gz FKYPJUOWJKHXJZ-LJQANCHMSA-N 1 1 483.592 3.457 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001304704191 1067776905 /nfs/dbraw/zinc/77/69/05/1067776905.db2.gz KXTZEKPMBHGUNA-HXUWFJFHSA-N 1 1 495.632 3.462 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001303251661 1067777618 /nfs/dbraw/zinc/77/76/18/1067777618.db2.gz GEPFHWSOHGUQCX-UHFFFAOYSA-N 1 1 490.656 3.340 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001304705356 1067777743 /nfs/dbraw/zinc/77/77/43/1067777743.db2.gz SBPMDGXZOFRDHZ-GOSISDBHSA-N 1 1 460.579 3.083 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001304705312 1067777859 /nfs/dbraw/zinc/77/78/59/1067777859.db2.gz QVBSHOJNZHHFEA-OAQYLSRUSA-N 1 1 485.658 3.038 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001304704858 1067777875 /nfs/dbraw/zinc/77/78/75/1067777875.db2.gz JVIOHRFTHJJLNX-KRWDZBQOSA-N 1 1 454.579 3.314 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001304706020 1067778730 /nfs/dbraw/zinc/77/87/30/1067778730.db2.gz XHMGGTWKULXLJU-UHFFFAOYSA-N 1 1 469.609 3.474 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304707517 1067779447 /nfs/dbraw/zinc/77/94/47/1067779447.db2.gz LJZXJAGPHUSFMQ-WIYYLYMNSA-N 1 1 480.617 3.209 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001304708204 1067779780 /nfs/dbraw/zinc/77/97/80/1067779780.db2.gz YBRPDPMOFICBMI-OAHLLOKOSA-N 1 1 492.411 3.426 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001303254774 1067779963 /nfs/dbraw/zinc/77/99/63/1067779963.db2.gz KAEMETHLGHBLAJ-UHFFFAOYSA-N 1 1 490.599 3.428 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001304709093 1067780153 /nfs/dbraw/zinc/78/01/53/1067780153.db2.gz JVZDJGJTSZIIQS-IBGZPJMESA-N 1 1 481.605 3.166 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)C1 ZINC001303254819 1067780513 /nfs/dbraw/zinc/78/05/13/1067780513.db2.gz LTUWDCNJDFXCGW-ISKFKSNPSA-N 1 1 482.673 3.364 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(CC(N)=O)CC1 ZINC001303254840 1067780541 /nfs/dbraw/zinc/78/05/41/1067780541.db2.gz MQJDKRQBKJUDQT-UHFFFAOYSA-N 1 1 461.614 3.320 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cnccn1 ZINC001304709760 1067780614 /nfs/dbraw/zinc/78/06/14/1067780614.db2.gz WUTOAJOOQXBBMX-UHFFFAOYSA-N 1 1 495.632 3.414 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Cl ZINC001304709606 1067780700 /nfs/dbraw/zinc/78/07/00/1067780700.db2.gz RVXGPRRTLZNLJV-GOSISDBHSA-N 1 1 463.007 3.065 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001304709335 1067780781 /nfs/dbraw/zinc/78/07/81/1067780781.db2.gz NBGLNIXJLQMSOT-LJQANCHMSA-N 1 1 493.637 3.460 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(=O)NC(C)C ZINC001304710044 1067781209 /nfs/dbraw/zinc/78/12/09/1067781209.db2.gz BWMCBBTUFQSLAA-INIZCTEOSA-N 1 1 455.632 3.297 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001304711689 1067782612 /nfs/dbraw/zinc/78/26/12/1067782612.db2.gz PAUVSVDKXAYCGZ-FQEVSTJZSA-N 1 1 473.622 3.118 20 0 JGADMO Cc1nccnc1N1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001304712056 1067782781 /nfs/dbraw/zinc/78/27/81/1067782781.db2.gz HWUADULDRMZNID-UHFFFAOYSA-N 1 1 482.608 3.152 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001304711789 1067782866 /nfs/dbraw/zinc/78/28/66/1067782866.db2.gz FKIZZQGOQSETED-LJQANCHMSA-N 1 1 468.606 3.324 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)O)CC1 ZINC001303257004 1067784281 /nfs/dbraw/zinc/78/42/81/1067784281.db2.gz PURDPWHYHSYGFA-UHFFFAOYSA-N 1 1 453.429 3.363 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(=O)NC(C)(C)C ZINC001304714198 1067785385 /nfs/dbraw/zinc/78/53/85/1067785385.db2.gz REYWNQWUGZXNJL-UHFFFAOYSA-N 1 1 492.397 3.403 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001304714177 1067785585 /nfs/dbraw/zinc/78/55/85/1067785585.db2.gz QKDXZYQMBVUQRO-UHFFFAOYSA-N 1 1 455.582 3.084 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303259425 1067785891 /nfs/dbraw/zinc/78/58/91/1067785891.db2.gz VSQCSNHKMLIPFT-NRFANRHFSA-N 1 1 486.627 3.440 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001303259329 1067785957 /nfs/dbraw/zinc/78/59/57/1067785957.db2.gz UIZFYYKRHNNYGQ-FQEVSTJZSA-N 1 1 476.572 3.436 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001303259730 1067786341 /nfs/dbraw/zinc/78/63/41/1067786341.db2.gz XGMSBOQTAUPECY-UHFFFAOYSA-N 1 1 475.641 3.162 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001303261404 1067787111 /nfs/dbraw/zinc/78/71/11/1067787111.db2.gz HIBPJFHEYZYBFC-INIZCTEOSA-N 1 1 463.424 3.105 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001303261362 1067787155 /nfs/dbraw/zinc/78/71/55/1067787155.db2.gz GFDBWQQWTOWFGO-QHCPKHFHSA-N 1 1 478.544 3.308 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001303261516 1067787405 /nfs/dbraw/zinc/78/74/05/1067787405.db2.gz LKUFECROWBGMOX-IEBWSBKVSA-N 1 1 475.435 3.153 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 ZINC001304716418 1067787591 /nfs/dbraw/zinc/78/75/91/1067787591.db2.gz QLNYALRPCXRGAD-FQEVSTJZSA-N 1 1 481.605 3.024 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001304716574 1067788211 /nfs/dbraw/zinc/78/82/11/1067788211.db2.gz VBBACNANDDHNOG-SFHVURJKSA-N 1 1 486.020 3.409 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001304716585 1067788367 /nfs/dbraw/zinc/78/83/67/1067788367.db2.gz VHSDPXDGMSJWHE-SLFFLAALSA-N 1 1 473.622 3.117 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001303261712 1067788468 /nfs/dbraw/zinc/78/84/68/1067788468.db2.gz SZNGELRVDLEURX-UHFFFAOYSA-N 1 1 479.585 3.063 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001303262499 1067789706 /nfs/dbraw/zinc/78/97/06/1067789706.db2.gz FBNRWEIMOFXYNP-UHFFFAOYSA-N 1 1 476.691 3.055 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303262574 1067789848 /nfs/dbraw/zinc/78/98/48/1067789848.db2.gz HGPMICLMIJLATN-UHFFFAOYSA-N 1 1 486.617 3.461 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Br)nnc1N1CCC(C(N)=O)CC1 ZINC001303262546 1067789896 /nfs/dbraw/zinc/78/98/96/1067789896.db2.gz GMVUXFXBFDDJOO-UHFFFAOYSA-N 1 1 463.424 3.140 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccn2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304719046 1067790427 /nfs/dbraw/zinc/79/04/27/1067790427.db2.gz BXULPNDHGLXRKL-HDICACEKSA-N 1 1 468.650 3.158 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001303263846 1067791093 /nfs/dbraw/zinc/79/10/93/1067791093.db2.gz HCZPJMPIDHLFAM-DEOSSOPVSA-N 1 1 451.575 3.032 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001303263724 1067791175 /nfs/dbraw/zinc/79/11/75/1067791175.db2.gz RHNMQRCDLPCFGJ-LJQANCHMSA-N 1 1 460.026 3.315 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001303264723 1067792132 /nfs/dbraw/zinc/79/21/32/1067792132.db2.gz XEMSMDWZMBGWRW-UHFFFAOYSA-N 1 1 497.047 3.149 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001303264857 1067792305 /nfs/dbraw/zinc/79/23/05/1067792305.db2.gz YZENWTPJGGPJEY-UHFFFAOYSA-N 1 1 459.614 3.445 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001303265409 1067792432 /nfs/dbraw/zinc/79/24/32/1067792432.db2.gz IKWBJHFFIHBFMI-SFHVURJKSA-N 1 1 450.628 3.006 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)OC1CCCC1 ZINC001303265788 1067792819 /nfs/dbraw/zinc/79/28/19/1067792819.db2.gz KXDAKHSIVKRSDN-UHFFFAOYSA-N 1 1 456.639 3.493 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001303265644 1067792828 /nfs/dbraw/zinc/79/28/28/1067792828.db2.gz SEWIUYBRZOIOPB-UHFFFAOYSA-N 1 1 468.650 3.084 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001303265798 1067792901 /nfs/dbraw/zinc/79/29/01/1067792901.db2.gz LACDXYDKTCOVEF-SFTDATJTSA-N 1 1 494.681 3.322 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001303266299 1067793358 /nfs/dbraw/zinc/79/33/58/1067793358.db2.gz YRIGUICHZFYTKC-UXHICEINSA-N 1 1 479.000 3.330 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC001303266514 1067793609 /nfs/dbraw/zinc/79/36/09/1067793609.db2.gz RAQRNEINIMFFPP-FGZHOGPDSA-N 1 1 459.660 3.122 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001303267000 1067794320 /nfs/dbraw/zinc/79/43/20/1067794320.db2.gz XJMBVLBJEMMUHI-GHTZIAJQSA-N 1 1 478.663 3.095 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001303267964 1067795104 /nfs/dbraw/zinc/79/51/04/1067795104.db2.gz LRAVSSOEOKGDOF-DENIHFKCSA-N 1 1 472.609 3.236 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303267897 1067795347 /nfs/dbraw/zinc/79/53/47/1067795347.db2.gz JPOQMHVLDBMFHE-GOSISDBHSA-N 1 1 465.524 3.014 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001303268423 1067796219 /nfs/dbraw/zinc/79/62/19/1067796219.db2.gz HPHOZAVWZGBQEL-LJQANCHMSA-N 1 1 450.534 3.213 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001303268639 1067796880 /nfs/dbraw/zinc/79/68/80/1067796880.db2.gz KLBQYMAOQQHQFA-FQEVSTJZSA-N 1 1 463.586 3.171 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001303268906 1067797449 /nfs/dbraw/zinc/79/74/49/1067797449.db2.gz SVTYWCQQYCPWLA-QFIPXVFZSA-N 1 1 469.678 3.373 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3cccn3C)n2CCSC(F)(F)F)CC1 ZINC001304725859 1067798394 /nfs/dbraw/zinc/79/83/94/1067798394.db2.gz LKJPPDBDAHMXRQ-UHFFFAOYSA-N 1 1 482.580 3.209 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303269338 1067798430 /nfs/dbraw/zinc/79/84/30/1067798430.db2.gz YHUXOKASZWXLQY-FQEVSTJZSA-N 1 1 471.650 3.345 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001303270028 1067798822 /nfs/dbraw/zinc/79/88/22/1067798822.db2.gz FMCKIAHPNZWPQV-UHFFFAOYSA-N 1 1 490.534 3.142 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001303269883 1067798945 /nfs/dbraw/zinc/79/89/45/1067798945.db2.gz CQMXCSIIHWDVIB-HNNXBMFYSA-N 1 1 453.374 3.233 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001303270692 1067799166 /nfs/dbraw/zinc/79/91/66/1067799166.db2.gz FKHAOTPJANYZKR-OAQYLSRUSA-N 1 1 461.614 3.327 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001303270717 1067799257 /nfs/dbraw/zinc/79/92/57/1067799257.db2.gz GCXHPMGISAYTGU-UHFFFAOYSA-N 1 1 475.641 3.352 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCSC(C)C)CC1 ZINC001304726636 1067799309 /nfs/dbraw/zinc/79/93/09/1067799309.db2.gz ZFSVTXGKNCXRBF-NRFANRHFSA-N 1 1 461.680 3.334 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001303270927 1067799540 /nfs/dbraw/zinc/79/95/40/1067799540.db2.gz MTEIXUBQNLHQTN-AOMKIAJQSA-N 1 1 451.974 3.462 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1 ZINC001303271323 1067799943 /nfs/dbraw/zinc/79/99/43/1067799943.db2.gz QHRRDVCIJZWDQC-UHFFFAOYSA-N 1 1 451.662 3.021 20 0 JGADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273180 1067801662 /nfs/dbraw/zinc/80/16/62/1067801662.db2.gz IDBQNHGEBMCLKG-HZPDHXFCSA-N 1 1 458.282 3.357 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001303275092 1067802064 /nfs/dbraw/zinc/80/20/64/1067802064.db2.gz RXCWXDBRFANWAS-NHCUHLMSSA-N 1 1 476.691 3.431 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001303275094 1067802218 /nfs/dbraw/zinc/80/22/18/1067802218.db2.gz RXCWXDBRFANWAS-SFTDATJTSA-N 1 1 476.691 3.431 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001303275536 1067802716 /nfs/dbraw/zinc/80/27/16/1067802716.db2.gz COBNGUFGVFSLPA-LJQANCHMSA-N 1 1 450.628 3.163 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001303275486 1067802753 /nfs/dbraw/zinc/80/27/53/1067802753.db2.gz YMGOBZAKFOYSKM-QFIPXVFZSA-N 1 1 454.619 3.259 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001303275603 1067802929 /nfs/dbraw/zinc/80/29/29/1067802929.db2.gz FESQXXUGPBXBJK-SFHVURJKSA-N 1 1 459.982 3.154 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275112 1067802941 /nfs/dbraw/zinc/80/29/41/1067802941.db2.gz SLCPFEOOXBCOQH-UNMCSNQZSA-N 1 1 454.619 3.349 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001303275807 1067803410 /nfs/dbraw/zinc/80/34/10/1067803410.db2.gz HNJJVMSAVUWTNH-HSZRJFAPSA-N 1 1 486.636 3.280 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001303276691 1067804404 /nfs/dbraw/zinc/80/44/04/1067804404.db2.gz JFVJEOPZOBCDCO-UHFFFAOYSA-N 1 1 460.652 3.058 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 ZINC001303277939 1067805010 /nfs/dbraw/zinc/80/50/10/1067805010.db2.gz XCBJFAOZTBXDOY-PXNSSMCTSA-N 1 1 478.435 3.463 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001303277316 1067805162 /nfs/dbraw/zinc/80/51/62/1067805162.db2.gz OZRUVHJNGMWUPK-JOCHJYFZSA-N 1 1 461.614 3.093 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001303278072 1067805655 /nfs/dbraw/zinc/80/56/55/1067805655.db2.gz YKOYMRVMJXGGIN-ZWKOTPCHSA-N 1 1 476.025 3.026 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001303277997 1067805713 /nfs/dbraw/zinc/80/57/13/1067805713.db2.gz YOLJDWCKXBTRLO-JOCHJYFZSA-N 1 1 456.541 3.460 20 0 JGADMO CC(C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001303277990 1067805907 /nfs/dbraw/zinc/80/59/07/1067805907.db2.gz XSLNMOQCWJOVJJ-QFIPXVFZSA-N 1 1 475.081 3.411 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001303277990 1067805918 /nfs/dbraw/zinc/80/59/18/1067805918.db2.gz XSLNMOQCWJOVJJ-QFIPXVFZSA-N 1 1 475.081 3.411 20 0 JGADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001304732607 1067806167 /nfs/dbraw/zinc/80/61/67/1067806167.db2.gz IAKCQRMBIZHKKZ-LVCYWYKZSA-N 1 1 458.655 3.339 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCOCC1 ZINC001303278879 1067807973 /nfs/dbraw/zinc/80/79/73/1067807973.db2.gz SXDHAEXRXDOSKM-BGYRXZFFSA-N 1 1 464.655 3.252 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001304734433 1067808423 /nfs/dbraw/zinc/80/84/23/1067808423.db2.gz AUKUYQPAGVTUIF-RXVVDRJESA-N 1 1 467.618 3.011 20 0 JGADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303282043 1067809861 /nfs/dbraw/zinc/80/98/61/1067809861.db2.gz PGKMXCXUNPXLSJ-PKOBYXMFSA-N 1 1 463.623 3.217 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304737473 1067811624 /nfs/dbraw/zinc/81/16/24/1067811624.db2.gz QHPVPPHZMHEWCM-NRFANRHFSA-N 1 1 451.619 3.448 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304737473 1067811632 /nfs/dbraw/zinc/81/16/32/1067811632.db2.gz QHPVPPHZMHEWCM-NRFANRHFSA-N 1 1 451.619 3.448 20 0 JGADMO Cc1cc(C)n([C@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001304737871 1067811789 /nfs/dbraw/zinc/81/17/89/1067811789.db2.gz SIOVCFGXGXORIP-FQEVSTJZSA-N 1 1 484.674 3.265 20 0 JGADMO CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)C(C)C ZINC001303291937 1067817149 /nfs/dbraw/zinc/81/71/49/1067817149.db2.gz ZRUCTEKMIQVUEJ-UHFFFAOYSA-N 1 1 479.677 3.295 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304742570 1067819640 /nfs/dbraw/zinc/81/96/40/1067819640.db2.gz URQAETYNHFTBOE-QHCPKHFHSA-N 1 1 495.676 3.046 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001304742632 1067820181 /nfs/dbraw/zinc/82/01/81/1067820181.db2.gz VZGUHVAPMDYZCO-HSZRJFAPSA-N 1 1 495.676 3.046 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304745733 1067825147 /nfs/dbraw/zinc/82/51/47/1067825147.db2.gz UVZJZEFXNRTERR-IBGZPJMESA-N 1 1 455.582 3.278 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2cccc(F)c2)n1 ZINC001304745930 1067825445 /nfs/dbraw/zinc/82/54/45/1067825445.db2.gz ZMYBTUPIGZXALW-UHFFFAOYSA-N 1 1 469.609 3.069 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2cccc(F)c2)n1 ZINC001304745930 1067825460 /nfs/dbraw/zinc/82/54/60/1067825460.db2.gz ZMYBTUPIGZXALW-UHFFFAOYSA-N 1 1 469.609 3.069 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304745762 1067825563 /nfs/dbraw/zinc/82/55/63/1067825563.db2.gz VJEPMCSMJCXUHT-LJQANCHMSA-N 1 1 455.582 3.278 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303303001 1067828091 /nfs/dbraw/zinc/82/80/91/1067828091.db2.gz QJJRTSQDUKWSCG-QZTJIDSGSA-N 1 1 456.557 3.413 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303303161 1067828161 /nfs/dbraw/zinc/82/81/61/1067828161.db2.gz DCEJOPCBGXFKSH-AZUAARDMSA-N 1 1 458.582 3.004 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303400 1067828889 /nfs/dbraw/zinc/82/88/89/1067828889.db2.gz GOGBRSDBMCCRBI-NHCUHLMSSA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303303859 1067829679 /nfs/dbraw/zinc/82/96/79/1067829679.db2.gz AHWBFNPPSBSPPV-IPMKNSEASA-N 1 1 458.573 3.323 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(CO)CC2)C1 ZINC001303304241 1067830304 /nfs/dbraw/zinc/83/03/04/1067830304.db2.gz FJJUQXSOEBBZPT-FDFHNCONSA-N 1 1 490.693 3.378 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001303304173 1067830488 /nfs/dbraw/zinc/83/04/88/1067830488.db2.gz DJGTXJOTPSAYIE-IBGZPJMESA-N 1 1 465.689 3.064 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001303304566 1067831569 /nfs/dbraw/zinc/83/15/69/1067831569.db2.gz OCAFSCBOWSZGFC-OTWHNJEPSA-N 1 1 465.639 3.462 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)c2ccccc2)CC1 ZINC001303304637 1067832271 /nfs/dbraw/zinc/83/22/71/1067832271.db2.gz ITNCYNLTZSOZLY-OAQYLSRUSA-N 1 1 476.629 3.371 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304752779 1067833208 /nfs/dbraw/zinc/83/32/08/1067833208.db2.gz UJKDFSXHDUEDFY-OALUTQOASA-N 1 1 483.583 3.418 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303305280 1067833947 /nfs/dbraw/zinc/83/39/47/1067833947.db2.gz SLECDIJTWVHKQM-OALUTQOASA-N 1 1 467.584 3.477 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCC(F)(F)F)CC1 ZINC001303305935 1067834153 /nfs/dbraw/zinc/83/41/53/1067834153.db2.gz XRHQELPJTITRCP-UHFFFAOYSA-N 1 1 471.553 3.141 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001303308494 1067836906 /nfs/dbraw/zinc/83/69/06/1067836906.db2.gz YVNBDSHELLVVQZ-UHFFFAOYSA-N 1 1 484.041 3.483 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC(F)F)CC1 ZINC001303308512 1067837137 /nfs/dbraw/zinc/83/71/37/1067837137.db2.gz ZTEAARWQGXYDQO-UHFFFAOYSA-N 1 1 491.406 3.071 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccn(C)n2)CC1 ZINC001303308513 1067837304 /nfs/dbraw/zinc/83/73/04/1067837304.db2.gz ZTUDSESTWXAZFZ-UHFFFAOYSA-N 1 1 459.545 3.443 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 ZINC001303310633 1067839051 /nfs/dbraw/zinc/83/90/51/1067839051.db2.gz PXAGVKXIWMSHCP-KRWDZBQOSA-N 1 1 463.424 3.298 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)F)CC1 ZINC001303311242 1067840526 /nfs/dbraw/zinc/84/05/26/1067840526.db2.gz XGGCEARLJAKDSQ-UHFFFAOYSA-N 1 1 459.545 3.333 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC[C@H](F)C3)CC2)C1 ZINC001303317772 1067847470 /nfs/dbraw/zinc/84/74/70/1067847470.db2.gz CSCPLIPOECGZHT-BHIFYINESA-N 1 1 464.674 3.236 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(c4nc(C)c(C)s4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304761151 1067847552 /nfs/dbraw/zinc/84/75/52/1067847552.db2.gz UDSQIRQKSNNTAK-UHFFFAOYSA-N 1 1 485.706 3.270 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)C2CCCC2)n1 ZINC001304761045 1067847597 /nfs/dbraw/zinc/84/75/97/1067847597.db2.gz UMHRSNWTVCPXFC-UHFFFAOYSA-N 1 1 486.665 3.071 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC[C@@H](F)C3)CC2)C1 ZINC001303317771 1067847581 /nfs/dbraw/zinc/84/75/81/1067847581.db2.gz CSCPLIPOECGZHT-BHDDXSALSA-N 1 1 464.674 3.236 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(CO)c3)CC2)CC1 ZINC001303318207 1067848723 /nfs/dbraw/zinc/84/87/23/1067848723.db2.gz KXFFYIOHBZKMJO-UHFFFAOYSA-N 1 1 468.690 3.402 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304763464 1067851803 /nfs/dbraw/zinc/85/18/03/1067851803.db2.gz QODZNETULYZIKC-ATIYNZHBSA-N 1 1 487.693 3.138 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303325242 1067854435 /nfs/dbraw/zinc/85/44/35/1067854435.db2.gz QVHJHEGOSFDPFS-LJQANCHMSA-N 1 1 473.641 3.026 20 0 JGADMO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC001304765941 1067856227 /nfs/dbraw/zinc/85/62/27/1067856227.db2.gz IMVQTFQOSDDCRN-NZQKXSOJSA-N 1 1 499.708 3.196 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001303329773 1067858261 /nfs/dbraw/zinc/85/82/61/1067858261.db2.gz JSWFQHWTJAQBEO-IAGOWNOFSA-N 1 1 478.588 3.219 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001303330889 1067860900 /nfs/dbraw/zinc/86/09/00/1067860900.db2.gz HDEQNTBIWILPNF-UHFFFAOYSA-N 1 1 461.408 3.077 20 0 JGADMO Cc1cc(C)n(CCCn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001304773223 1067865913 /nfs/dbraw/zinc/86/59/13/1067865913.db2.gz KZYOIWSTPRZSAR-UHFFFAOYSA-N 1 1 467.666 3.354 20 0 JGADMO Cc1nnc([C@@H]2CN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001304774415 1067867599 /nfs/dbraw/zinc/86/75/99/1067867599.db2.gz KGNQZFPVWPQPLG-UZLBHIALSA-N 1 1 473.553 3.167 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)c1cccs1 ZINC001303342028 1067870722 /nfs/dbraw/zinc/87/07/22/1067870722.db2.gz KSNINWIQSVEZFX-HDICACEKSA-N 1 1 462.664 3.001 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)c1cccs1 ZINC001303342028 1067870731 /nfs/dbraw/zinc/87/07/31/1067870731.db2.gz KSNINWIQSVEZFX-HDICACEKSA-N 1 1 462.664 3.001 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOc2ccccc2F)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001303342544 1067871097 /nfs/dbraw/zinc/87/10/97/1067871097.db2.gz SJFJMCIUSMAQBF-LJQANCHMSA-N 1 1 460.598 3.191 20 0 JGADMO CC(C)NC(=O)c1nnc(N(CC2CC2)CC2CCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303347986 1067874627 /nfs/dbraw/zinc/87/46/27/1067874627.db2.gz VTHZFJCGCPWOGG-KDURUIRLSA-N 1 1 460.667 3.321 20 0 JGADMO CC(C)NC(=O)c1nnc(N(CC2CC2)CC2CCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303347986 1067874636 /nfs/dbraw/zinc/87/46/36/1067874636.db2.gz VTHZFJCGCPWOGG-KDURUIRLSA-N 1 1 460.667 3.321 20 0 JGADMO Cc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001304789015 1067882119 /nfs/dbraw/zinc/88/21/19/1067882119.db2.gz SEIVUUXOCYNZNF-UWJYYQICSA-N 1 1 460.648 3.228 20 0 JGADMO Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001304795957 1067883955 /nfs/dbraw/zinc/88/39/55/1067883955.db2.gz NPYMVKPXYQNHTN-UHFFFAOYSA-N 1 1 480.564 3.306 20 0 JGADMO Cc1nnc(N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304804301 1067886225 /nfs/dbraw/zinc/88/62/25/1067886225.db2.gz PGHBKHZISMZBOO-QHCPKHFHSA-N 1 1 499.063 3.123 20 0 JGADMO Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001304810065 1067887498 /nfs/dbraw/zinc/88/74/98/1067887498.db2.gz PMSZUOFMAZBLKE-FTRWYGJKSA-N 1 1 453.509 3.012 20 0 JGADMO Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001304810065 1067887507 /nfs/dbraw/zinc/88/75/07/1067887507.db2.gz PMSZUOFMAZBLKE-FTRWYGJKSA-N 1 1 453.509 3.012 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCc1cccnc1 ZINC001303360234 1067888179 /nfs/dbraw/zinc/88/81/79/1067888179.db2.gz MEUZBZQKDYLZIF-NRFANRHFSA-N 1 1 461.614 3.155 20 0 JGADMO Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001304811843 1067888350 /nfs/dbraw/zinc/88/83/50/1067888350.db2.gz JXAYGMXNRXHJDA-YYWHXJBOSA-N 1 1 478.563 3.392 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303362350 1067889386 /nfs/dbraw/zinc/88/93/86/1067889386.db2.gz KRJKCMVHBDPXJG-UNMCSNQZSA-N 1 1 460.667 3.324 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303361886 1067889587 /nfs/dbraw/zinc/88/95/87/1067889587.db2.gz GTICLJOVPOCVFG-IFMALSPDSA-N 1 1 460.667 3.324 20 0 JGADMO Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001304815389 1067890456 /nfs/dbraw/zinc/89/04/56/1067890456.db2.gz BFRLPWQCUYJDDI-WTIAFYNJSA-N 1 1 484.645 3.227 20 0 JGADMO Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001304815389 1067890465 /nfs/dbraw/zinc/89/04/65/1067890465.db2.gz BFRLPWQCUYJDDI-WTIAFYNJSA-N 1 1 484.645 3.227 20 0 JGADMO Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001304822845 1067893121 /nfs/dbraw/zinc/89/31/21/1067893121.db2.gz RKNPQLKYONPVOC-DEOSSOPVSA-N 1 1 497.688 3.098 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCN(C)c1ccccc1 ZINC001303366071 1067893514 /nfs/dbraw/zinc/89/35/14/1067893514.db2.gz JOXMFDJOCIGGFA-UHFFFAOYSA-N 1 1 455.651 3.109 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303365948 1067893644 /nfs/dbraw/zinc/89/36/44/1067893644.db2.gz UDOJUWDQSQTESZ-BGYRXZFFSA-N 1 1 484.645 3.005 20 0 JGADMO C[C@]12CN(C(=O)CNC(=O)c3ccc(Br)cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001303367864 1067897530 /nfs/dbraw/zinc/89/75/30/1067897530.db2.gz DGZBQUVCSNAPKQ-XXBNENTESA-N 1 1 456.384 3.159 20 0 JGADMO Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001304837064 1067897878 /nfs/dbraw/zinc/89/78/78/1067897878.db2.gz FSCDJVSHFGBMLM-PKTZIBPZSA-N 1 1 484.645 3.229 20 0 JGADMO Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001304837064 1067897900 /nfs/dbraw/zinc/89/79/00/1067897900.db2.gz FSCDJVSHFGBMLM-PKTZIBPZSA-N 1 1 484.645 3.229 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1Cc1ccc(OC(C)C)nc1 ZINC001303369084 1067898291 /nfs/dbraw/zinc/89/82/91/1067898291.db2.gz IRUTYYSCOFHJRR-HSZRJFAPSA-N 1 1 491.640 3.358 20 0 JGADMO Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001304841278 1067900041 /nfs/dbraw/zinc/90/00/41/1067900041.db2.gz FDTRXWHPYGFZKH-LAUBAEHRSA-N 1 1 467.536 3.403 20 0 JGADMO Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001304841278 1067900051 /nfs/dbraw/zinc/90/00/51/1067900051.db2.gz FDTRXWHPYGFZKH-LAUBAEHRSA-N 1 1 467.536 3.403 20 0 JGADMO Cc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304845879 1067901432 /nfs/dbraw/zinc/90/14/32/1067901432.db2.gz HXJJYXCWXXEOBE-HSZRJFAPSA-N 1 1 452.647 3.378 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303373413 1067903845 /nfs/dbraw/zinc/90/38/45/1067903845.db2.gz QNKVBKBGLQLVES-NHCUHLMSSA-N 1 1 466.586 3.108 20 0 JGADMO COC(=O)c1cc(C2CN(C(=O)[C@@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)[nH]n1 ZINC001304854559 1067905746 /nfs/dbraw/zinc/90/57/46/1067905746.db2.gz MMOJVIPJJVHPQL-NRFANRHFSA-N 1 1 450.514 3.163 20 0 JGADMO COC(=O)c1cc(C2CN(C(=O)[C@H](F)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)[nH]n1 ZINC001304854560 1067905778 /nfs/dbraw/zinc/90/57/78/1067905778.db2.gz MMOJVIPJJVHPQL-OAQYLSRUSA-N 1 1 450.514 3.163 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304858619 1067908380 /nfs/dbraw/zinc/90/83/80/1067908380.db2.gz CUMHYZXRTWPCDZ-FQEVSTJZSA-N 1 1 460.589 3.046 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001304858619 1067908382 /nfs/dbraw/zinc/90/83/82/1067908382.db2.gz CUMHYZXRTWPCDZ-FQEVSTJZSA-N 1 1 460.589 3.046 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304858552 1067908389 /nfs/dbraw/zinc/90/83/89/1067908389.db2.gz AXLCZEKPPCJPEF-OALUTQOASA-N 1 1 474.616 3.434 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001303378945 1067908565 /nfs/dbraw/zinc/90/85/65/1067908565.db2.gz LBZVMDHMXYESIX-QGZVFWFLSA-N 1 1 460.573 3.378 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3ccccc3[C@H]2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303379226 1067908634 /nfs/dbraw/zinc/90/86/34/1067908634.db2.gz SGNUKWJWYSTYAW-WOJBJXKFSA-N 1 1 454.619 3.041 20 0 JGADMO Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001304859377 1067909248 /nfs/dbraw/zinc/90/92/48/1067909248.db2.gz GNYNUVSOZCDOPS-YDIMBITNSA-N 1 1 461.054 3.142 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001303380990 1067910304 /nfs/dbraw/zinc/91/03/04/1067910304.db2.gz DPFQNKHLZMPDKG-OAQYLSRUSA-N 1 1 460.667 3.324 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001304863299 1067910777 /nfs/dbraw/zinc/91/07/77/1067910777.db2.gz VQMXBOZANPXUHD-LJQANCHMSA-N 1 1 464.408 3.038 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001304863299 1067910780 /nfs/dbraw/zinc/91/07/80/1067910780.db2.gz VQMXBOZANPXUHD-LJQANCHMSA-N 1 1 464.408 3.038 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303382308 1067911399 /nfs/dbraw/zinc/91/13/99/1067911399.db2.gz TZIXQDFAIGIAIC-QRVBRYPASA-N 1 1 491.681 3.029 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303382307 1067911422 /nfs/dbraw/zinc/91/14/22/1067911422.db2.gz TZIXQDFAIGIAIC-OTWHNJEPSA-N 1 1 491.681 3.029 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304868203 1067912618 /nfs/dbraw/zinc/91/26/18/1067912618.db2.gz SYCYTMXCNMUKNA-JOCHJYFZSA-N 1 1 478.588 3.039 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001303386835 1067914196 /nfs/dbraw/zinc/91/41/96/1067914196.db2.gz AKJZAKAUTOMDSP-WZOHSFFVSA-N 1 1 488.702 3.476 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001304872604 1067914869 /nfs/dbraw/zinc/91/48/69/1067914869.db2.gz RGODMCGSRLFDPZ-OALUTQOASA-N 1 1 458.655 3.487 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875732 1067919384 /nfs/dbraw/zinc/91/93/84/1067919384.db2.gz XBDOGHYBNVSXMH-UGNRZPKXSA-N 1 1 460.623 3.126 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875732 1067919393 /nfs/dbraw/zinc/91/93/93/1067919393.db2.gz XBDOGHYBNVSXMH-UGNRZPKXSA-N 1 1 460.623 3.126 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+](C)C3CCCC3)CC2)n1 ZINC001304875520 1067919592 /nfs/dbraw/zinc/91/95/92/1067919592.db2.gz NMPLXLSZTIXSPK-SFHVURJKSA-N 1 1 458.655 3.316 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@H]1CCOC[C@H]1C ZINC001303390160 1067919544 /nfs/dbraw/zinc/91/95/44/1067919544.db2.gz ZWSMACWFYFGMDP-MBDNFAEBSA-N 1 1 460.667 3.180 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001303396566 1067924089 /nfs/dbraw/zinc/92/40/89/1067924089.db2.gz LIQVEHQXQDPVSR-UHFFFAOYSA-N 1 1 471.650 3.348 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001303397189 1067925501 /nfs/dbraw/zinc/92/55/01/1067925501.db2.gz DMAUDYQUPKCCFF-UHFFFAOYSA-N 1 1 491.640 3.359 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303402237 1067930054 /nfs/dbraw/zinc/93/00/54/1067930054.db2.gz IPNHCDFKORTDSV-FQEVSTJZSA-N 1 1 453.635 3.137 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303402885 1067931637 /nfs/dbraw/zinc/93/16/37/1067931637.db2.gz RFWAVNZGZIPLFT-JOCHJYFZSA-N 1 1 467.662 3.398 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303404587 1067932959 /nfs/dbraw/zinc/93/29/59/1067932959.db2.gz WXNJXSVBTKDQIY-HXUWFJFHSA-N 1 1 485.652 3.393 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001303407203 1067934100 /nfs/dbraw/zinc/93/41/00/1067934100.db2.gz BOPKYERGMLWXAD-UHFFFAOYSA-N 1 1 481.670 3.109 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCO[C@H]1C(C)C ZINC001303407247 1067934144 /nfs/dbraw/zinc/93/41/44/1067934144.db2.gz CUAOTBVNDQNPIM-MZYLBHOOSA-N 1 1 468.646 3.188 20 0 JGADMO Cc1noc(C2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001304891125 1067935453 /nfs/dbraw/zinc/93/54/53/1067935453.db2.gz CIIMUPQUAOCEOQ-SFHVURJKSA-N 1 1 459.639 3.443 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001303409545 1067936106 /nfs/dbraw/zinc/93/61/06/1067936106.db2.gz JFPSMRNUCOESHZ-FPOVZHCZSA-N 1 1 474.675 3.395 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C/C=C/c1ccccc1 ZINC001303410585 1067937006 /nfs/dbraw/zinc/93/70/06/1067937006.db2.gz VJKWPEAXLNWPTL-VOHXMDJUSA-N 1 1 479.673 3.125 20 0 JGADMO Cc1cc(CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC001304900360 1067944120 /nfs/dbraw/zinc/94/41/20/1067944120.db2.gz PQARQTARGUVRCJ-BGYRXZFFSA-N 1 1 473.666 3.082 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303417003 1067944822 /nfs/dbraw/zinc/94/48/22/1067944822.db2.gz RIOISACQDJVJHJ-FUHWJXTLSA-N 1 1 489.690 3.231 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304907475 1067951007 /nfs/dbraw/zinc/95/10/07/1067951007.db2.gz KWFODSQFMJEUDG-LJQANCHMSA-N 1 1 452.647 3.371 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001303426564 1067951624 /nfs/dbraw/zinc/95/16/24/1067951624.db2.gz VBLDPNIYEIUQQS-IFMALSPDSA-N 1 1 476.629 3.139 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001304909006 1067952655 /nfs/dbraw/zinc/95/26/55/1067952655.db2.gz CVZJZRABYQEDEX-KDURUIRLSA-N 1 1 474.675 3.110 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304911097 1067954449 /nfs/dbraw/zinc/95/44/49/1067954449.db2.gz KKWITROVMNWNCN-CEXWTWQISA-N 1 1 484.645 3.173 20 0 JGADMO CC(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303430892 1067955536 /nfs/dbraw/zinc/95/55/36/1067955536.db2.gz PTVNJPMYICIRNH-DEOSSOPVSA-N 1 1 475.641 3.279 20 0 JGADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CCOc2ccccc2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001304913970 1067958276 /nfs/dbraw/zinc/95/82/76/1067958276.db2.gz VZDQIKAKLQANOX-NRFANRHFSA-N 1 1 468.646 3.221 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001303435792 1067958833 /nfs/dbraw/zinc/95/88/33/1067958833.db2.gz DKIJIXAJRUXQCO-CQSZACIVSA-N 1 1 492.447 3.189 20 0 JGADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCOCC1 ZINC001304918840 1067961074 /nfs/dbraw/zinc/96/10/74/1067961074.db2.gz PAAUVOHRNJGADP-ZACQAIPSSA-N 1 1 465.440 3.249 20 0 JGADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001304918831 1067961132 /nfs/dbraw/zinc/96/11/32/1067961132.db2.gz PAAUVOHRNJGADP-BBWFWOEESA-N 1 1 465.440 3.249 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001304920795 1067962184 /nfs/dbraw/zinc/96/21/84/1067962184.db2.gz UIWZKGXVCFODOC-AQNXPRMDSA-N 1 1 476.691 3.259 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303441385 1067963515 /nfs/dbraw/zinc/96/35/15/1067963515.db2.gz SAYYAOOEFGBJED-JOCHJYFZSA-N 1 1 470.618 3.016 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304922514 1067963552 /nfs/dbraw/zinc/96/35/52/1067963552.db2.gz ASVAJQFDWKICDZ-PLACYPQZSA-N 1 1 492.690 3.233 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923180 1067964843 /nfs/dbraw/zinc/96/48/43/1067964843.db2.gz BKCZOKBSYSBJDZ-ZCNNSNEGSA-N 1 1 478.645 3.403 20 0 JGADMO CC(C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923322 1067965178 /nfs/dbraw/zinc/96/51/78/1067965178.db2.gz BZIPBUKUUNYFIK-ZDXQCDESSA-N 1 1 481.689 3.118 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303444266 1067966148 /nfs/dbraw/zinc/96/61/48/1067966148.db2.gz RYLZIBQWKYMGDN-ACIOBRDBSA-N 1 1 468.646 3.391 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923982 1067966322 /nfs/dbraw/zinc/96/63/22/1067966322.db2.gz HZBCQNLGCNXLGO-XNTOXWQXSA-N 1 1 466.696 3.025 20 0 JGADMO C[C@H](c1ccccc1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924178 1067966570 /nfs/dbraw/zinc/96/65/70/1067966570.db2.gz HXCIMFKFWQSCGC-JSXRDJHFSA-N 1 1 476.691 3.454 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC001304925589 1067969027 /nfs/dbraw/zinc/96/90/27/1067969027.db2.gz MJCCYORTTCWTNX-QHAWAJNXSA-N 1 1 499.708 3.157 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccccc3F)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304925393 1067969142 /nfs/dbraw/zinc/96/91/42/1067969142.db2.gz CVMWHQPZTVRLNM-BGYRXZFFSA-N 1 1 470.637 3.468 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001304925958 1067969934 /nfs/dbraw/zinc/96/99/34/1067969934.db2.gz POOHOQVWDXTYDD-KSZLIROESA-N 1 1 460.026 3.028 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CCc3ccccc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304926669 1067971228 /nfs/dbraw/zinc/97/12/28/1067971228.db2.gz GTSBHBQRKYWBPN-FUPPJEDESA-N 1 1 473.687 3.055 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CC3CCCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001304926703 1067971239 /nfs/dbraw/zinc/97/12/39/1067971239.db2.gz HAIZFOKPJBDEPK-OYRHEFFESA-N 1 1 494.750 3.239 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926926 1067971772 /nfs/dbraw/zinc/97/17/72/1067971772.db2.gz UUDLXFIGCQVWBY-DSNGMDLFSA-N 1 1 489.753 3.001 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926926 1067971777 /nfs/dbraw/zinc/97/17/77/1067971777.db2.gz UUDLXFIGCQVWBY-DSNGMDLFSA-N 1 1 489.753 3.001 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304927403 1067973390 /nfs/dbraw/zinc/97/33/90/1067973390.db2.gz IYSIPOZKIMSPDF-ZRZAMGCNSA-N 1 1 481.689 3.327 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304928000 1067974767 /nfs/dbraw/zinc/97/47/67/1067974767.db2.gz LHRUGRJFBDNOEZ-OYRHEFFESA-N 1 1 475.641 3.367 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCSC3(CCOCC3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928116 1067975161 /nfs/dbraw/zinc/97/51/61/1067975161.db2.gz SLAUBTCWSWWKLM-OYRHEFFESA-N 1 1 492.734 3.277 20 0 JGADMO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304928399 1067976062 /nfs/dbraw/zinc/97/60/62/1067976062.db2.gz NOKNOPWBTKHNHA-VWPQPMDRSA-N 1 1 465.708 3.421 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928946 1067977064 /nfs/dbraw/zinc/97/70/64/1067977064.db2.gz SFJNQIVJYSUTDW-LNRXMEIDSA-N 1 1 460.667 3.239 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001304942258 1067993397 /nfs/dbraw/zinc/99/33/97/1067993397.db2.gz XBKGUGJPYRAKQZ-SJBKTWHCSA-N 1 1 484.670 3.443 20 0 JGADMO C[C@@H]1C[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304946327 1067998057 /nfs/dbraw/zinc/99/80/57/1067998057.db2.gz CAKFIICZIRAYOS-HZPDHXFCSA-N 1 1 465.440 3.249 20 0 JGADMO C[C@@H]1C[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304946327 1067998061 /nfs/dbraw/zinc/99/80/61/1067998061.db2.gz CAKFIICZIRAYOS-HZPDHXFCSA-N 1 1 465.440 3.249 20 0 JGADMO C[C@@H]1C[C@@H](N(C)c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304948834 1067999576 /nfs/dbraw/zinc/99/95/76/1067999576.db2.gz KLELOLNOJCDHPP-IRLDBZIGSA-N 1 1 463.630 3.251 20 0 JGADMO C[C@@H]1C[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304948678 1067999635 /nfs/dbraw/zinc/99/96/35/1067999635.db2.gz CABUFOKUXCUKFK-ZRNYENFQSA-N 1 1 476.666 3.252 20 0 JGADMO C[C@@H]1C[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304948678 1067999644 /nfs/dbraw/zinc/99/96/44/1067999644.db2.gz CABUFOKUXCUKFK-ZRNYENFQSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCOC1 ZINC001303480220 1067999965 /nfs/dbraw/zinc/99/99/65/1067999965.db2.gz AQRSRMAAYPHGPS-ZYLNGJIFSA-N 1 1 475.634 3.436 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001304951940 1068000459 /nfs/dbraw/zinc/00/04/59/1068000459.db2.gz PGWOIBWBXUDDKE-UGKGYDQZSA-N 1 1 488.702 3.408 20 0 JGADMO C[C@@H]1C[C@@H](N(C)c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304953822 1068001529 /nfs/dbraw/zinc/00/15/29/1068001529.db2.gz SPLPBYDXNMEWLA-OFNKIYASSA-N 1 1 461.614 3.308 20 0 JGADMO C[C@@H]1C[C@@H]1n1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304954795 1068002320 /nfs/dbraw/zinc/00/23/20/1068002320.db2.gz YUOXWZMSKYRBNJ-AIANPOQGSA-N 1 1 451.413 3.172 20 0 JGADMO C[C@@H]1C[C@@H]1n1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304954795 1068002330 /nfs/dbraw/zinc/00/23/30/1068002330.db2.gz YUOXWZMSKYRBNJ-AIANPOQGSA-N 1 1 451.413 3.172 20 0 JGADMO C[C@@H]1C[C@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304961858 1068005790 /nfs/dbraw/zinc/00/57/90/1068005790.db2.gz POBQPSOYBKCRJM-QRVBRYPASA-N 1 1 462.639 3.478 20 0 JGADMO COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1-c1ccccc1 ZINC001303486996 1068009499 /nfs/dbraw/zinc/00/94/99/1068009499.db2.gz VOUDBFQTGLVJJY-RUZDIDTESA-N 1 1 457.574 3.477 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2nccs2)CCOC1 ZINC001303487601 1068010672 /nfs/dbraw/zinc/01/06/72/1068010672.db2.gz ONDZSNIKUBPJQY-MTXNFPGFSA-N 1 1 492.690 3.124 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2nccs2)CCOC1 ZINC001303487601 1068010687 /nfs/dbraw/zinc/01/06/87/1068010687.db2.gz ONDZSNIKUBPJQY-MTXNFPGFSA-N 1 1 492.690 3.124 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C3CC3)n2CC(F)(F)Br)CC1 ZINC001304973126 1068013564 /nfs/dbraw/zinc/01/35/64/1068013564.db2.gz DVDNWTIPVOFNMS-GASCZTMLSA-N 1 1 461.399 3.138 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303490674 1068015742 /nfs/dbraw/zinc/01/57/42/1068015742.db2.gz VQSJNEZYWYZCMQ-QFIPXVFZSA-N 1 1 487.567 3.128 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303490674 1068015752 /nfs/dbraw/zinc/01/57/52/1068015752.db2.gz VQSJNEZYWYZCMQ-QFIPXVFZSA-N 1 1 487.567 3.128 20 0 JGADMO COc1ccc2cc(/C=C/C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)ccc2c1 ZINC001303492148 1068017380 /nfs/dbraw/zinc/01/73/80/1068017380.db2.gz LNBULWKXLMRUOC-CNXGWSFGSA-N 1 1 457.574 3.363 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(C)(C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303493294 1068018795 /nfs/dbraw/zinc/01/87/95/1068018795.db2.gz GWXVBMWQQHTPPG-SQJMNOBHSA-N 1 1 463.667 3.446 20 0 JGADMO CC1CCC(NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCC3)CC2)CC1 ZINC001304980903 1068020160 /nfs/dbraw/zinc/02/01/60/1068020160.db2.gz WDJFZBLLYLCNKS-UHFFFAOYSA-N 1 1 487.737 3.267 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001304980850 1068020445 /nfs/dbraw/zinc/02/04/45/1068020445.db2.gz KWEUCAWHBDGGCD-BRWVUGGUSA-N 1 1 479.716 3.483 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304981968 1068022801 /nfs/dbraw/zinc/02/28/01/1068022801.db2.gz CJTDEQIXKMWOTQ-FIPFOOKPSA-N 1 1 495.716 3.292 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303501308 1068029265 /nfs/dbraw/zinc/02/92/65/1068029265.db2.gz MTAZWTCRUKWHPK-SGIRGMQISA-N 1 1 463.667 3.444 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(=O)N(C)C2CCCCC2)CCOC1 ZINC001303502825 1068033678 /nfs/dbraw/zinc/03/36/78/1068033678.db2.gz WECHBDJAZGLKJJ-AREMUKBSSA-N 1 1 490.693 3.030 20 0 JGADMO C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304993803 1068035771 /nfs/dbraw/zinc/03/57/71/1068035771.db2.gz AIEGPEKWNGXWBO-CLOONOSVSA-N 1 1 489.686 3.210 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303504027 1068036362 /nfs/dbraw/zinc/03/63/62/1068036362.db2.gz UCIRKNBCVAUQJX-HOFKKMOUSA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303504027 1068036375 /nfs/dbraw/zinc/03/63/75/1068036375.db2.gz UCIRKNBCVAUQJX-HOFKKMOUSA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001303505413 1068038527 /nfs/dbraw/zinc/03/85/27/1068038527.db2.gz KOMDCELKRFUDOB-BWKNWUBXSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303505470 1068039327 /nfs/dbraw/zinc/03/93/27/1068039327.db2.gz KUKKVCFUJKZZTH-YIXXDRMTSA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303505470 1068039340 /nfs/dbraw/zinc/03/93/40/1068039340.db2.gz KUKKVCFUJKZZTH-YIXXDRMTSA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001303506682 1068040806 /nfs/dbraw/zinc/04/08/06/1068040806.db2.gz QAIBKGUDNXNLKW-PXDATVDWSA-N 1 1 463.667 3.444 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCSC(C)(C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303509140 1068042717 /nfs/dbraw/zinc/04/27/17/1068042717.db2.gz BSPIWMPBDCQRLK-RDPSFJRHSA-N 1 1 481.707 3.151 20 0 JGADMO C[C@@H]1CCCC[C@H]1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305000807 1068043805 /nfs/dbraw/zinc/04/38/05/1068043805.db2.gz AELNNISVIPHPKE-QHAWAJNXSA-N 1 1 481.707 3.086 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303509893 1068044243 /nfs/dbraw/zinc/04/42/43/1068044243.db2.gz JBMZZVNCXOSVHB-ZRAZWPEBSA-N 1 1 471.646 3.046 20 0 JGADMO C[C@@H]1CCCC[C@H]1OCCn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305004451 1068046656 /nfs/dbraw/zinc/04/66/56/1068046656.db2.gz MJMVMJZMWVGPBC-FYYLOGMGSA-N 1 1 470.662 3.406 20 0 JGADMO C[C@@H]1CCCC[C@H]1OCCn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305004451 1068046670 /nfs/dbraw/zinc/04/66/70/1068046670.db2.gz MJMVMJZMWVGPBC-FYYLOGMGSA-N 1 1 470.662 3.406 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305013693 1068054393 /nfs/dbraw/zinc/05/43/93/1068054393.db2.gz LGTFOOUFVDHOBI-IBGZPJMESA-N 1 1 460.648 3.008 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCCS(C)(=O)=O)C1 ZINC001305013709 1068054727 /nfs/dbraw/zinc/05/47/27/1068054727.db2.gz LTXDEMZWNMIQOC-LEWJYISDSA-N 1 1 459.660 3.471 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 ZINC001305013997 1068054877 /nfs/dbraw/zinc/05/48/77/1068054877.db2.gz OWBQZWJGDONGJU-VQTJNVASSA-N 1 1 477.650 3.143 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 ZINC001305013998 1068054949 /nfs/dbraw/zinc/05/49/49/1068054949.db2.gz OWBQZWJGDONGJU-WOJBJXKFSA-N 1 1 477.650 3.143 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)C1 ZINC001305014333 1068055705 /nfs/dbraw/zinc/05/57/05/1068055705.db2.gz RLVFSYDRNIJXBF-AZUAARDMSA-N 1 1 465.689 3.066 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305014672 1068056203 /nfs/dbraw/zinc/05/62/03/1068056203.db2.gz UKCDRUCQBKOUSY-ZHRRBRCNSA-N 1 1 492.466 3.392 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305015506 1068058248 /nfs/dbraw/zinc/05/82/48/1068058248.db2.gz JUTIEVKBJAKRGW-QZTJIDSGSA-N 1 1 466.051 3.486 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001305015349 1068058355 /nfs/dbraw/zinc/05/83/55/1068058355.db2.gz DNJPGZZSYRVUPK-TYBLODHISA-N 1 1 495.734 3.476 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001305017167 1068060309 /nfs/dbraw/zinc/06/03/09/1068060309.db2.gz DBQLLPKCIQJIPD-ROUUACIJSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001305017253 1068060934 /nfs/dbraw/zinc/06/09/34/1068060934.db2.gz CORFMQGEEKSYPI-GMAHTHKFSA-N 1 1 494.750 3.383 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001305017352 1068061099 /nfs/dbraw/zinc/06/10/99/1068061099.db2.gz LEBVCUMBAOKPCI-UXHICEINSA-N 1 1 493.649 3.274 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001305017865 1068061769 /nfs/dbraw/zinc/06/17/69/1068061769.db2.gz GNBDNSUTMLJTAL-OAQYLSRUSA-N 1 1 496.704 3.405 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001305018230 1068062717 /nfs/dbraw/zinc/06/27/17/1068062717.db2.gz HNUMSHKZDZWVAX-SFTDATJTSA-N 1 1 452.647 3.241 20 0 JGADMO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001305018788 1068063529 /nfs/dbraw/zinc/06/35/29/1068063529.db2.gz VIHILXPXJZIWGZ-PMACEKPBSA-N 1 1 474.675 3.253 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001305018540 1068063889 /nfs/dbraw/zinc/06/38/89/1068063889.db2.gz OCBHBEHCROJZCT-AKHDSKFASA-N 1 1 491.624 3.469 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN(C)c1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC001305019559 1068065398 /nfs/dbraw/zinc/06/53/98/1068065398.db2.gz NFUKAIGKLKJSRK-FCHUYYIVSA-N 1 1 467.662 3.207 20 0 JGADMO C[C@@H]1CCCC[N@@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001305019708 1068066223 /nfs/dbraw/zinc/06/62/23/1068066223.db2.gz RGOQQKXWOZJZBI-FGZHOGPDSA-N 1 1 494.750 3.145 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001305019708 1068066236 /nfs/dbraw/zinc/06/62/36/1068066236.db2.gz RGOQQKXWOZJZBI-FGZHOGPDSA-N 1 1 494.750 3.145 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001303537166 1068066266 /nfs/dbraw/zinc/06/62/66/1068066266.db2.gz ZLDSERIAOLZSBY-VWPQPMDRSA-N 1 1 477.675 3.060 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)C1 ZINC001305019915 1068067109 /nfs/dbraw/zinc/06/71/09/1068067109.db2.gz OHWSRKLCMBFDMB-RXVVDRJESA-N 1 1 487.693 3.144 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305020375 1068068144 /nfs/dbraw/zinc/06/81/44/1068068144.db2.gz PBKLSNBFVFCBJL-MSOLQXFVSA-N 1 1 474.600 3.359 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305020378 1068068229 /nfs/dbraw/zinc/06/82/29/1068068229.db2.gz PBKLSNBFVFCBJL-ZWKOTPCHSA-N 1 1 474.600 3.359 20 0 JGADMO CC(C)OCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001303538940 1068068449 /nfs/dbraw/zinc/06/84/49/1068068449.db2.gz WZECCFCOOHACGP-UHFFFAOYSA-N 1 1 467.622 3.047 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)cc2)C1 ZINC001305020555 1068068426 /nfs/dbraw/zinc/06/84/26/1068068426.db2.gz REFQJQLZRHBIJS-UYAOXDASSA-N 1 1 477.650 3.466 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001305020654 1068068702 /nfs/dbraw/zinc/06/87/02/1068068702.db2.gz SCNJGGMDYFFIFZ-IRLDBZIGSA-N 1 1 452.647 3.276 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)CCO1 ZINC001303539410 1068069076 /nfs/dbraw/zinc/06/90/76/1068069076.db2.gz SUZQYCXFLJLNKX-WOJBJXKFSA-N 1 1 461.582 3.111 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001305020901 1068069186 /nfs/dbraw/zinc/06/91/86/1068069186.db2.gz SKROYAPUMFDWDO-ROUUACIJSA-N 1 1 474.600 3.325 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305020789 1068069213 /nfs/dbraw/zinc/06/92/13/1068069213.db2.gz VKAQOIFRUVDUDQ-TZIWHRDSSA-N 1 1 456.610 3.364 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305021295 1068069346 /nfs/dbraw/zinc/06/93/46/1068069346.db2.gz ULFKOYFEDAPCEY-MOPGFXCFSA-N 1 1 453.697 3.391 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001305020701 1068069608 /nfs/dbraw/zinc/06/96/08/1068069608.db2.gz DCMTYTWPYRNKHF-SFHVURJKSA-N 1 1 495.093 3.191 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305021600 1068069793 /nfs/dbraw/zinc/06/97/93/1068069793.db2.gz YEXWEWDKOPWERB-YLJYHZDGSA-N 1 1 497.612 3.434 20 0 JGADMO C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001305021151 1068070200 /nfs/dbraw/zinc/07/02/00/1068070200.db2.gz WVDWEAHCEXUJAX-YADHBBJMSA-N 1 1 487.737 3.310 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2c(F)cccc2F)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001305021642 1068070746 /nfs/dbraw/zinc/07/07/46/1068070746.db2.gz YTTLJKANWQKAAP-RBUKOAKNSA-N 1 1 474.600 3.469 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305021698 1068071612 /nfs/dbraw/zinc/07/16/12/1068071612.db2.gz WTNDTQKGFXHDEH-UYAOXDASSA-N 1 1 493.649 3.130 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305022306 1068073165 /nfs/dbraw/zinc/07/31/65/1068073165.db2.gz AUSVKUHRFCVCCZ-QRVBRYPASA-N 1 1 455.607 3.050 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305022835 1068074424 /nfs/dbraw/zinc/07/44/24/1068074424.db2.gz OEFIAVRKHKTTGC-QZTJIDSGSA-N 1 1 463.623 3.218 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305023022 1068074521 /nfs/dbraw/zinc/07/45/21/1068074521.db2.gz PDRSUUADHLIHPG-OALUTQOASA-N 1 1 491.681 3.030 20 0 JGADMO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023622 1068077184 /nfs/dbraw/zinc/07/71/84/1068077184.db2.gz CGTSAQBEGSUYID-VAMGGRTRSA-N 1 1 462.639 3.307 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305023739 1068077266 /nfs/dbraw/zinc/07/72/66/1068077266.db2.gz IWOVXKXSUFJGPL-PMACEKPBSA-N 1 1 454.619 3.190 20 0 JGADMO C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024376 1068078062 /nfs/dbraw/zinc/07/80/62/1068078062.db2.gz LALNRHVKUJTQHN-NJYVYQBISA-N 1 1 489.686 3.332 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024540 1068078703 /nfs/dbraw/zinc/07/87/03/1068078703.db2.gz GYACATFJGVSSFO-NHCUHLMSSA-N 1 1 467.662 3.079 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024917 1068079398 /nfs/dbraw/zinc/07/93/98/1068079398.db2.gz JJQIAJARCRMLKT-SQQYVQODSA-N 1 1 469.659 3.173 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025430 1068080050 /nfs/dbraw/zinc/08/00/50/1068080050.db2.gz QZRKNAQTLYPDEJ-SJORKVTESA-N 1 1 460.026 3.206 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025153 1068080395 /nfs/dbraw/zinc/08/03/95/1068080395.db2.gz LLHMMMOSMITYDE-RTWAWAEBSA-N 1 1 482.677 3.014 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025973 1068081528 /nfs/dbraw/zinc/08/15/28/1068081528.db2.gz VFKYGFWFVAPHRA-AOHZBQACSA-N 1 1 454.663 3.378 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025973 1068081541 /nfs/dbraw/zinc/08/15/41/1068081541.db2.gz VFKYGFWFVAPHRA-AOHZBQACSA-N 1 1 454.663 3.378 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001305026317 1068082181 /nfs/dbraw/zinc/08/21/81/1068082181.db2.gz WDDZHWSEQQOPNI-VQTJNVASSA-N 1 1 461.054 3.487 20 0 JGADMO CC(C)OCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303556246 1068082321 /nfs/dbraw/zinc/08/23/21/1068082321.db2.gz JQAPSVQTVSXNTL-CALCHBBNSA-N 1 1 483.455 3.017 20 0 JGADMO CC(C)OCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303556246 1068082334 /nfs/dbraw/zinc/08/23/34/1068082334.db2.gz JQAPSVQTVSXNTL-CALCHBBNSA-N 1 1 483.455 3.017 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305026653 1068082901 /nfs/dbraw/zinc/08/29/01/1068082901.db2.gz XDIQEZTVVQNWOF-RBUKOAKNSA-N 1 1 460.598 3.191 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305026932 1068083050 /nfs/dbraw/zinc/08/30/50/1068083050.db2.gz SCWSMLGNLCMERM-YADHBBJMSA-N 1 1 470.710 3.433 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026932 1068083060 /nfs/dbraw/zinc/08/30/60/1068083060.db2.gz SCWSMLGNLCMERM-YADHBBJMSA-N 1 1 470.710 3.433 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027264 1068083592 /nfs/dbraw/zinc/08/35/92/1068083592.db2.gz UXFJQBIXYGMPBS-GUDVDZBRSA-N 1 1 490.590 3.315 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028555 1068085108 /nfs/dbraw/zinc/08/51/08/1068085108.db2.gz ZQVFKXQKMXHXLU-WTGUMLROSA-N 1 1 462.639 3.006 20 0 JGADMO CC(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001303562430 1068085848 /nfs/dbraw/zinc/08/58/48/1068085848.db2.gz VAUJVAPTIYXVDF-QFIPXVFZSA-N 1 1 454.619 3.003 20 0 JGADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028737 1068086539 /nfs/dbraw/zinc/08/65/39/1068086539.db2.gz JMRYPNDTIJRNKU-VAMGGRTRSA-N 1 1 493.649 3.130 20 0 JGADMO C[C@@H](Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305030499 1068088627 /nfs/dbraw/zinc/08/86/27/1068088627.db2.gz WCEYNKAMJPBTRM-IKGGRYGDSA-N 1 1 458.573 3.201 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCOC2)CC1 ZINC001303566752 1068089608 /nfs/dbraw/zinc/08/96/08/1068089608.db2.gz JWINWRYAJOWDFP-WOJBJXKFSA-N 1 1 461.582 3.141 20 0 JGADMO CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303566801 1068089889 /nfs/dbraw/zinc/08/98/89/1068089889.db2.gz KIISQCJTYDYWDQ-ZRNYENFQSA-N 1 1 462.639 3.147 20 0 JGADMO CC(C)OCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303567045 1068090178 /nfs/dbraw/zinc/09/01/78/1068090178.db2.gz PARDPLLFSLVJOH-QHCPKHFHSA-N 1 1 464.010 3.237 20 0 JGADMO CC(C)OCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303567044 1068090276 /nfs/dbraw/zinc/09/02/76/1068090276.db2.gz PARDPLLFSLVJOH-HSZRJFAPSA-N 1 1 464.010 3.237 20 0 JGADMO C[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001305039726 1068094632 /nfs/dbraw/zinc/09/46/32/1068094632.db2.gz NUUHMCATJKUUHT-YPAWHYETSA-N 1 1 490.693 3.476 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001303570762 1068095026 /nfs/dbraw/zinc/09/50/26/1068095026.db2.gz DULQPCKXQWXTNR-NHCUHLMSSA-N 1 1 459.610 3.370 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(Nc3cnn(C)c3)nnc2-c2cccc(S(C)(=O)=O)c2)C1 ZINC001305041618 1068096337 /nfs/dbraw/zinc/09/63/37/1068096337.db2.gz FSMZWIWGTJNLMG-SFHVURJKSA-N 1 1 471.631 3.338 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCSCC2)C1 ZINC001305041602 1068096422 /nfs/dbraw/zinc/09/64/22/1068096422.db2.gz FIQQRKPVTWXZIP-QGZVFWFLSA-N 1 1 463.051 3.147 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOc2ccccc2Cl)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305041657 1068096676 /nfs/dbraw/zinc/09/66/76/1068096676.db2.gz GBVRQUVDZAEVKD-GOSISDBHSA-N 1 1 463.026 3.317 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(F)(F)F)CC1 ZINC001303572235 1068097638 /nfs/dbraw/zinc/09/76/38/1068097638.db2.gz ZSYVZRWYWSZYNF-UHFFFAOYSA-N 1 1 450.509 3.390 20 0 JGADMO C[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001305042077 1068097956 /nfs/dbraw/zinc/09/79/56/1068097956.db2.gz GJAZTGRXWCKMGG-QVKFZJNVSA-N 1 1 454.402 3.467 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001303572511 1068098259 /nfs/dbraw/zinc/09/82/59/1068098259.db2.gz JWUHOFRATAKYHC-NHCUHLMSSA-N 1 1 475.609 3.216 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001303572646 1068098360 /nfs/dbraw/zinc/09/83/60/1068098360.db2.gz NSOBHHJIBZDOSH-OAQYLSRUSA-N 1 1 495.690 3.392 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](COc3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042856 1068099024 /nfs/dbraw/zinc/09/90/24/1068099024.db2.gz LQWNSVIMRPKYAX-NHCUHLMSSA-N 1 1 454.619 3.054 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305043134 1068099429 /nfs/dbraw/zinc/09/94/29/1068099429.db2.gz NUZXTEORSFZVPF-FPOVZHCZSA-N 1 1 458.607 3.099 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001305043530 1068099598 /nfs/dbraw/zinc/09/95/98/1068099598.db2.gz QRIBRRVAIRPOPN-GVDBMIGSSA-N 1 1 465.524 3.292 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305043133 1068099640 /nfs/dbraw/zinc/09/96/40/1068099640.db2.gz NUZXTEORSFZVPF-CTNGQTDRSA-N 1 1 458.607 3.099 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305043700 1068100256 /nfs/dbraw/zinc/10/02/56/1068100256.db2.gz SKTOQCXUOLWKHA-RBUKOAKNSA-N 1 1 472.638 3.039 20 0 JGADMO CC(C)N(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305044112 1068100728 /nfs/dbraw/zinc/10/07/28/1068100728.db2.gz WQWSAARZVJKWMF-ROUUACIJSA-N 1 1 468.693 3.097 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3ccc4ccccc4n3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001305044617 1068101464 /nfs/dbraw/zinc/10/14/64/1068101464.db2.gz ARCDMUJMGUUSLK-FQEVSTJZSA-N 1 1 484.670 3.486 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3ccc4ccccc4n3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001305044618 1068102070 /nfs/dbraw/zinc/10/20/70/1068102070.db2.gz ARCDMUJMGUUSLK-HXUWFJFHSA-N 1 1 484.670 3.486 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001305044940 1068102422 /nfs/dbraw/zinc/10/24/22/1068102422.db2.gz CRDLPXCLRDWCGB-HXUWFJFHSA-N 1 1 499.685 3.231 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305045784 1068103284 /nfs/dbraw/zinc/10/32/84/1068103284.db2.gz FYIHDFOJTDSIPD-TZIWHRDSSA-N 1 1 469.634 3.099 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001305046260 1068104096 /nfs/dbraw/zinc/10/40/96/1068104096.db2.gz HKFGBURJECPGFF-IAGOWNOFSA-N 1 1 492.466 3.215 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(CO)CC2)C1 ZINC001305046925 1068105286 /nfs/dbraw/zinc/10/52/86/1068105286.db2.gz DDFMRERYTNGHKT-CTNGQTDRSA-N 1 1 476.666 3.291 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001305047966 1068106746 /nfs/dbraw/zinc/10/67/46/1068106746.db2.gz HGOCGNJPZOHJIE-VQIMIIECSA-N 1 1 471.499 3.496 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(N(C)CCCS(C)(=O)=O)nnc2C2(c3ccccc3)CCC2)C1 ZINC001305048590 1068107973 /nfs/dbraw/zinc/10/79/73/1068107973.db2.gz KKKXWIFRGFVSTJ-OAQYLSRUSA-N 1 1 473.687 3.351 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001305049187 1068109191 /nfs/dbraw/zinc/10/91/91/1068109191.db2.gz MXTFLFCSZGNPFR-ROUUACIJSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC001305049558 1068110046 /nfs/dbraw/zinc/11/00/46/1068110046.db2.gz JIXZUAKGBAHPRM-MSOLQXFVSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001305049768 1068110414 /nfs/dbraw/zinc/11/04/14/1068110414.db2.gz TUCNEOKCBRJDQW-WMZOPIPTSA-N 1 1 457.541 3.252 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccccc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305049922 1068110427 /nfs/dbraw/zinc/11/04/27/1068110427.db2.gz KPCVMBLXUXGITM-IEBWSBKVSA-N 1 1 464.536 3.182 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3ccccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305050038 1068111279 /nfs/dbraw/zinc/11/12/79/1068111279.db2.gz QPJPXASZOURXSR-RTBURBONSA-N 1 1 493.578 3.357 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305049992 1068111316 /nfs/dbraw/zinc/11/13/16/1068111316.db2.gz LAIFPHZGUBJFCS-MJGOQNOKSA-N 1 1 481.066 3.129 20 0 JGADMO C[C@H]1CCC[N@H+](CCn2c(N3CCN(C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050146 1068111930 /nfs/dbraw/zinc/11/19/30/1068111930.db2.gz SNCJQAOKVFMHNI-JTHBVZDNSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(N3CCN(C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050146 1068111931 /nfs/dbraw/zinc/11/19/31/1068111931.db2.gz SNCJQAOKVFMHNI-JTHBVZDNSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnn(C)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303591484 1068112238 /nfs/dbraw/zinc/11/22/38/1068112238.db2.gz AHTIPOXFJGZRJT-KRWDZBQOSA-N 1 1 472.588 3.180 20 0 JGADMO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303591484 1068112245 /nfs/dbraw/zinc/11/22/45/1068112245.db2.gz AHTIPOXFJGZRJT-KRWDZBQOSA-N 1 1 472.588 3.180 20 0 JGADMO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303591484 1068112247 /nfs/dbraw/zinc/11/22/47/1068112247.db2.gz AHTIPOXFJGZRJT-KRWDZBQOSA-N 1 1 472.588 3.180 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305050510 1068112676 /nfs/dbraw/zinc/11/26/76/1068112676.db2.gz SOGVSLSATIKZRW-PMACEKPBSA-N 1 1 472.609 3.396 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305050948 1068112999 /nfs/dbraw/zinc/11/29/99/1068112999.db2.gz NKGKIQJTRHDLFT-HOTGVXAUSA-N 1 1 493.425 3.280 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001305050943 1068113013 /nfs/dbraw/zinc/11/30/13/1068113013.db2.gz YPFMXJYCLLUBOZ-FUHWJXTLSA-N 1 1 484.041 3.341 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001305050977 1068113597 /nfs/dbraw/zinc/11/35/97/1068113597.db2.gz YQGIMGJHTCTRLM-UGKGYDQZSA-N 1 1 475.659 3.292 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001305051193 1068114084 /nfs/dbraw/zinc/11/40/84/1068114084.db2.gz VJGILLOSAWJOLP-KRWDZBQOSA-N 1 1 460.030 3.214 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001305051229 1068114112 /nfs/dbraw/zinc/11/41/12/1068114112.db2.gz ZTECELXFSYRLNY-BPJXYHRLSA-N 1 1 466.655 3.370 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cn3ccc4ccccc43)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001305051336 1068114892 /nfs/dbraw/zinc/11/48/92/1068114892.db2.gz YZQBUDBHUJSALM-FQEVSTJZSA-N 1 1 465.646 3.364 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCCC2)C1 ZINC001305052085 1068115667 /nfs/dbraw/zinc/11/56/67/1068115667.db2.gz YLVDQWHIIMWIEK-FQEVSTJZSA-N 1 1 474.675 3.308 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCCC2)C1 ZINC001305052087 1068116150 /nfs/dbraw/zinc/11/61/50/1068116150.db2.gz YLVDQWHIIMWIEK-HXUWFJFHSA-N 1 1 474.675 3.308 20 0 JGADMO C[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001305053109 1068116965 /nfs/dbraw/zinc/11/69/65/1068116965.db2.gz HSUNOQBNCCAXOQ-BFUOFWGJSA-N 1 1 454.800 3.416 20 0 JGADMO C[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001305053111 1068117021 /nfs/dbraw/zinc/11/70/21/1068117021.db2.gz HSUNOQBNCCAXOQ-ORAYPTAESA-N 1 1 454.800 3.416 20 0 JGADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCC[C@H]1C ZINC001305057341 1068119265 /nfs/dbraw/zinc/11/92/65/1068119265.db2.gz BCVQMAQTOACHEZ-IKGGRYGDSA-N 1 1 454.040 3.341 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001305058518 1068121243 /nfs/dbraw/zinc/12/12/43/1068121243.db2.gz HJJUEZPQVQOSRY-CQSZACIVSA-N 1 1 471.553 3.110 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)cc1F ZINC001305058925 1068122271 /nfs/dbraw/zinc/12/22/71/1068122271.db2.gz JKIXHWRIVXGQAW-INIZCTEOSA-N 1 1 455.513 3.324 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001305059676 1068123926 /nfs/dbraw/zinc/12/39/26/1068123926.db2.gz NNPYTGRJMIZKSF-IRXDYDNUSA-N 1 1 475.435 3.284 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001305060656 1068125323 /nfs/dbraw/zinc/12/53/23/1068125323.db2.gz WPMOHEKWPORXGS-AQNXPRMDSA-N 1 1 462.639 3.498 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001305060969 1068125845 /nfs/dbraw/zinc/12/58/45/1068125845.db2.gz FKGMTXKBUBOWPK-QFIPXVFZSA-N 1 1 460.667 3.335 20 0 JGADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1CC[N@@H+](C)C1CCCC1 ZINC001303599581 1068126691 /nfs/dbraw/zinc/12/66/91/1068126691.db2.gz CLRFRUAVKYEODF-PGRDOPGGSA-N 1 1 490.674 3.239 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001305061380 1068127025 /nfs/dbraw/zinc/12/70/25/1068127025.db2.gz ZLXWEZJOBFOQOK-IBGZPJMESA-N 1 1 476.616 3.178 20 0 JGADMO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCCOC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001303600905 1068128973 /nfs/dbraw/zinc/12/89/73/1068128973.db2.gz BUWUHCFWZZTHRF-BAGYTPMASA-N 1 1 457.619 3.312 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063989 1068134592 /nfs/dbraw/zinc/13/45/92/1068134592.db2.gz JTCXQZHLMPTIPS-GOTSBHOMSA-N 1 1 481.689 3.247 20 0 JGADMO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCOC2)n1CC[N@@H+](C)C1CCCC1 ZINC001303605134 1068137640 /nfs/dbraw/zinc/13/76/40/1068137640.db2.gz AXNZYIQGQDKFHS-IRLDBZIGSA-N 1 1 468.646 3.312 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001305071307 1068145104 /nfs/dbraw/zinc/14/51/04/1068145104.db2.gz DMJKPQPDDQUYSV-MRXNPFEDSA-N 1 1 464.456 3.156 20 0 JGADMO CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001305081273 1068154290 /nfs/dbraw/zinc/15/42/90/1068154290.db2.gz QYMLWPZBSAIDPR-FQEVSTJZSA-N 1 1 475.659 3.086 20 0 JGADMO CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001305086612 1068156573 /nfs/dbraw/zinc/15/65/73/1068156573.db2.gz IWXZITZEGYZBQU-FGZHOGPDSA-N 1 1 490.693 3.476 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001303628082 1068158271 /nfs/dbraw/zinc/15/82/71/1068158271.db2.gz GTKSZRJDHOTHQB-QGZVFWFLSA-N 1 1 465.689 3.345 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001303627737 1068158387 /nfs/dbraw/zinc/15/83/87/1068158387.db2.gz DACNAMYEOCNYMI-IEBWSBKVSA-N 1 1 460.648 3.379 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCC(F)F)CC1 ZINC001303628948 1068160132 /nfs/dbraw/zinc/16/01/32/1068160132.db2.gz KOTPVVGMUWKHHR-HNNXBMFYSA-N 1 1 454.591 3.193 20 0 JGADMO C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001305092513 1068160726 /nfs/dbraw/zinc/16/07/26/1068160726.db2.gz UQWDUPHVPTZYNT-HXUWFJFHSA-N 1 1 478.645 3.121 20 0 JGADMO C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCCn2cc(CO)nn2)CC[N@H+]1Cc1ccccc1 ZINC001305093881 1068161280 /nfs/dbraw/zinc/16/12/80/1068161280.db2.gz XTYQJJXDDPKGJZ-OAQYLSRUSA-N 1 1 480.661 3.142 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001303630987 1068162148 /nfs/dbraw/zinc/16/21/48/1068162148.db2.gz UDENMEGEQMWMBV-QGZVFWFLSA-N 1 1 486.646 3.148 20 0 JGADMO C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001305100639 1068167528 /nfs/dbraw/zinc/16/75/28/1068167528.db2.gz YTDRIDDLAUSYSY-UXHICEINSA-N 1 1 487.718 3.026 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303652675 1068182787 /nfs/dbraw/zinc/18/27/87/1068182787.db2.gz JQPBZQRZJGBKNR-MRXNPFEDSA-N 1 1 489.045 3.330 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303652675 1068182790 /nfs/dbraw/zinc/18/27/90/1068182790.db2.gz JQPBZQRZJGBKNR-MRXNPFEDSA-N 1 1 489.045 3.330 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Br)s3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001305111601 1068183626 /nfs/dbraw/zinc/18/36/26/1068183626.db2.gz BBWWSPLDCGTYFB-GASCZTMLSA-N 1 1 484.464 3.494 20 0 JGADMO O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001303653029 1068183879 /nfs/dbraw/zinc/18/38/79/1068183879.db2.gz KIPHRKCBXFAZAA-NJDAHSKKSA-N 1 1 460.500 3.322 20 0 JGADMO O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001303653029 1068183884 /nfs/dbraw/zinc/18/38/84/1068183884.db2.gz KIPHRKCBXFAZAA-NJDAHSKKSA-N 1 1 460.500 3.322 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3CCN(c4ncccc4F)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111649 1068184133 /nfs/dbraw/zinc/18/41/33/1068184133.db2.gz FCBJNVYGHXCAKQ-KDURUIRLSA-N 1 1 473.641 3.324 20 0 JGADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001303654075 1068185046 /nfs/dbraw/zinc/18/50/46/1068185046.db2.gz UFAJQVCCZGCBOJ-NXWXRZEISA-N 1 1 473.536 3.029 20 0 JGADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001303654075 1068185048 /nfs/dbraw/zinc/18/50/48/1068185048.db2.gz UFAJQVCCZGCBOJ-NXWXRZEISA-N 1 1 473.536 3.029 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3C[C@H](C)O[C@]4(CCCOC4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112162 1068185331 /nfs/dbraw/zinc/18/53/31/1068185331.db2.gz JNUQXYBRYJQCTL-PBQROFAYSA-N 1 1 463.667 3.238 20 0 JGADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C[C@@H](C)O1 ZINC001305112128 1068185386 /nfs/dbraw/zinc/18/53/86/1068185386.db2.gz FTQVXLGAYIYDTJ-XMERXJNXSA-N 1 1 490.693 3.043 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001305112654 1068187300 /nfs/dbraw/zinc/18/73/00/1068187300.db2.gz NWODZKGJYWVKHF-QHAWAJNXSA-N 1 1 474.694 3.346 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C[C@H](C)O1 ZINC001305113815 1068190714 /nfs/dbraw/zinc/19/07/14/1068190714.db2.gz QMQSHNJQDCFULD-QHAWAJNXSA-N 1 1 497.688 3.359 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305114521 1068192437 /nfs/dbraw/zinc/19/24/37/1068192437.db2.gz ZHTZDBVBAJLCTO-NJDAHSKKSA-N 1 1 476.710 3.153 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c(N3CC[N@H+](C4CCOCC4)C[C@H]3C)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305114521 1068192442 /nfs/dbraw/zinc/19/24/42/1068192442.db2.gz ZHTZDBVBAJLCTO-NJDAHSKKSA-N 1 1 476.710 3.153 20 0 JGADMO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001303663196 1068194385 /nfs/dbraw/zinc/19/43/85/1068194385.db2.gz LPRQTBAXABMUJG-VSKRKVRLSA-N 1 1 468.646 3.253 20 0 JGADMO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001303663196 1068194387 /nfs/dbraw/zinc/19/43/87/1068194387.db2.gz LPRQTBAXABMUJG-VSKRKVRLSA-N 1 1 468.646 3.253 20 0 JGADMO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303667025 1068201438 /nfs/dbraw/zinc/20/14/38/1068201438.db2.gz ONEAJLOJEFYTAK-CWKRKGSWSA-N 1 1 482.673 3.419 20 0 JGADMO C[C@@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC001303672884 1068209020 /nfs/dbraw/zinc/20/90/20/1068209020.db2.gz FQIQMYKNWSZOEP-BTYIYWSLSA-N 1 1 491.459 3.471 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001305124411 1068210279 /nfs/dbraw/zinc/21/02/79/1068210279.db2.gz ZKKZYRAAQOVLRT-BGYRXZFFSA-N 1 1 463.586 3.061 20 0 JGADMO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001303674538 1068212458 /nfs/dbraw/zinc/21/24/58/1068212458.db2.gz NANBSAZJJYSMTD-CLOONOSVSA-N 1 1 478.682 3.380 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001303675467 1068213957 /nfs/dbraw/zinc/21/39/57/1068213957.db2.gz TUWNRKIRTSZJID-NHCUHLMSSA-N 1 1 494.681 3.180 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001303678526 1068216761 /nfs/dbraw/zinc/21/67/61/1068216761.db2.gz MDFKYHCSGNGODG-QGZVFWFLSA-N 1 1 480.642 3.229 20 0 JGADMO C[C@H](CN(C)c1nnc([C@H]2CCCOC2)n1CC1CCN(CC[NH+](C)C)CC1)c1nccs1 ZINC001303682761 1068219593 /nfs/dbraw/zinc/21/95/93/1068219593.db2.gz GBZJRKBEHIMGOK-CTNGQTDRSA-N 1 1 475.707 3.142 20 0 JGADMO C[C@@H](CN(C)c1nnc([C@@H]2CCCOC2)n1CC1CCN(CC[NH+](C)C)CC1)c1nccs1 ZINC001303682763 1068219685 /nfs/dbraw/zinc/21/96/85/1068219685.db2.gz GBZJRKBEHIMGOK-PZJWPPBQSA-N 1 1 475.707 3.142 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001305133586 1068220121 /nfs/dbraw/zinc/22/01/21/1068220121.db2.gz OYFXWSBFCKZRJO-OAHLLOKOSA-N 1 1 451.438 3.250 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCC(=O)N(C)C ZINC001305134000 1068221168 /nfs/dbraw/zinc/22/11/68/1068221168.db2.gz OAXHNXYTJZCVJL-RBUKOAKNSA-N 1 1 472.609 3.346 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Br)[N@@H+](C)C1CC1 ZINC001303683721 1068221510 /nfs/dbraw/zinc/22/15/10/1068221510.db2.gz DPZMGDBGXZNCBA-INIZCTEOSA-N 1 1 475.435 3.396 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305135359 1068223203 /nfs/dbraw/zinc/22/32/03/1068223203.db2.gz GRYYPKJLMLRRRV-CRAIPNDOSA-N 1 1 455.937 3.037 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305135368 1068223714 /nfs/dbraw/zinc/22/37/14/1068223714.db2.gz GRYYPKJLMLRRRV-YJBOKZPZSA-N 1 1 455.937 3.037 20 0 JGADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC001303687377 1068225220 /nfs/dbraw/zinc/22/52/20/1068225220.db2.gz JZGOYPRXZWATKY-MSOLQXFVSA-N 1 1 480.654 3.142 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001305137325 1068228304 /nfs/dbraw/zinc/22/83/04/1068228304.db2.gz LTGHQEQFWLHKFJ-KHCICDEESA-N 1 1 461.582 3.282 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001305137676 1068228962 /nfs/dbraw/zinc/22/89/62/1068228962.db2.gz NKMLQBZIRKOKIM-INIZCTEOSA-N 1 1 492.466 3.215 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001303690308 1068229978 /nfs/dbraw/zinc/22/99/78/1068229978.db2.gz YNWUFYFQRNBMKO-FCHUYYIVSA-N 1 1 488.652 3.239 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001305138696 1068231253 /nfs/dbraw/zinc/23/12/53/1068231253.db2.gz QPBMJOYTGAXNMV-HZPDHXFCSA-N 1 1 482.398 3.183 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC001303691625 1068231787 /nfs/dbraw/zinc/23/17/87/1068231787.db2.gz GIQKGYFUHMTDSN-ZWKOTPCHSA-N 1 1 495.093 3.189 20 0 JGADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001303691824 1068232302 /nfs/dbraw/zinc/23/23/02/1068232302.db2.gz JXXWTJUBCYJNRK-INIZCTEOSA-N 1 1 451.413 3.147 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCOCC1 ZINC001303692469 1068234592 /nfs/dbraw/zinc/23/45/92/1068234592.db2.gz XKGKHXFEYVWUMA-SJORKVTESA-N 1 1 478.435 3.432 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCCNC(=O)C1CCC1)[NH+]1CCOCC1 ZINC001303693928 1068236405 /nfs/dbraw/zinc/23/64/05/1068236405.db2.gz LCFSPALURANUDU-GOSISDBHSA-N 1 1 475.037 3.062 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001303694379 1068237038 /nfs/dbraw/zinc/23/70/38/1068237038.db2.gz NVBUQOHEGAEYEO-INIZCTEOSA-N 1 1 495.455 3.455 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303695730 1068238401 /nfs/dbraw/zinc/23/84/01/1068238401.db2.gz JODHAMGCYXGRKX-CHWSQXEVSA-N 1 1 481.826 3.155 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCCCCC1)[N@@H+](C)C1CC1 ZINC001303697614 1068240898 /nfs/dbraw/zinc/24/08/98/1068240898.db2.gz YTLHEEKPGFQDRX-IBGZPJMESA-N 1 1 474.675 3.449 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(OC(F)F)c1)[NH+]1CCOCC1 ZINC001303700175 1068243244 /nfs/dbraw/zinc/24/32/44/1068243244.db2.gz BJTFXKIGGUSHLT-KRWDZBQOSA-N 1 1 458.513 3.299 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001303701810 1068245862 /nfs/dbraw/zinc/24/58/62/1068245862.db2.gz VXMJEJAPLJXNLH-LJQANCHMSA-N 1 1 468.577 3.494 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001303701810 1068245874 /nfs/dbraw/zinc/24/58/74/1068245874.db2.gz VXMJEJAPLJXNLH-LJQANCHMSA-N 1 1 468.577 3.494 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001305145227 1068245885 /nfs/dbraw/zinc/24/58/85/1068245885.db2.gz FLCHWAHJLLGUBO-IEGUWTFLSA-N 1 1 463.026 3.497 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001303703074 1068247096 /nfs/dbraw/zinc/24/70/96/1068247096.db2.gz KAPNLDYNXQLJNW-QYZOEREBSA-N 1 1 457.623 3.212 20 0 JGADMO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303703278 1068247548 /nfs/dbraw/zinc/24/75/48/1068247548.db2.gz NSODWFDEPPZGOI-HXUWFJFHSA-N 1 1 499.660 3.144 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303703820 1068248801 /nfs/dbraw/zinc/24/88/01/1068248801.db2.gz VPPZAJTWLNYOMQ-OAQYLSRUSA-N 1 1 477.657 3.499 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCOCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305147127 1068248735 /nfs/dbraw/zinc/24/87/35/1068248735.db2.gz GASFTZCAJRATRK-VQIMIIECSA-N 1 1 469.964 3.427 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCOCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305147123 1068248855 /nfs/dbraw/zinc/24/88/55/1068248855.db2.gz GASFTZCAJRATRK-LPHOPBHVSA-N 1 1 469.964 3.427 20 0 JGADMO CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305147524 1068249890 /nfs/dbraw/zinc/24/98/90/1068249890.db2.gz HVIUDLMXSSGJTI-SFHVURJKSA-N 1 1 495.093 3.237 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCS1 ZINC001305148488 1068251638 /nfs/dbraw/zinc/25/16/38/1068251638.db2.gz YVUOPTQHTWKLAZ-WMZOPIPTSA-N 1 1 451.040 3.172 20 0 JGADMO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305149310 1068253255 /nfs/dbraw/zinc/25/32/55/1068253255.db2.gz BFGPBUWSXFCJIS-CVEARBPZSA-N 1 1 482.398 3.183 20 0 JGADMO C[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCOC(C)(C)C)[N@@H+](C)C1CC1 ZINC001303709263 1068255228 /nfs/dbraw/zinc/25/52/28/1068255228.db2.gz SLMUBDANZDIABB-INIZCTEOSA-N 1 1 453.591 3.328 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1)[N@@H+](C)Cc1ccccc1 ZINC001303709673 1068256234 /nfs/dbraw/zinc/25/62/34/1068256234.db2.gz YRRXQUIJHFLZCM-IBGZPJMESA-N 1 1 467.618 3.034 20 0 JGADMO C[C@@H](Cn1c(C2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303712986 1068258303 /nfs/dbraw/zinc/25/83/03/1068258303.db2.gz NXWIAWVURFEKKX-SIKLNZKXSA-N 1 1 484.645 3.406 20 0 JGADMO C[C@H](Cn1c(C2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303712984 1068258338 /nfs/dbraw/zinc/25/83/38/1068258338.db2.gz NXWIAWVURFEKKX-DENIHFKCSA-N 1 1 484.645 3.406 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001305153194 1068261008 /nfs/dbraw/zinc/26/10/08/1068261008.db2.gz XZCJBWBZCBRXBW-UGKGYDQZSA-N 1 1 461.054 3.486 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[N@@H+](C)C1CC1 ZINC001303715598 1068262436 /nfs/dbraw/zinc/26/24/36/1068262436.db2.gz AESSBNGAGAOCFD-ZWKOTPCHSA-N 1 1 464.680 3.429 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)N(C)c1ccccc1 ZINC001303716905 1068264340 /nfs/dbraw/zinc/26/43/40/1068264340.db2.gz HWVLRBKCGHTYRC-FGZHOGPDSA-N 1 1 470.662 3.244 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)N(C)c1ccccc1 ZINC001303716905 1068264356 /nfs/dbraw/zinc/26/43/56/1068264356.db2.gz HWVLRBKCGHTYRC-FGZHOGPDSA-N 1 1 470.662 3.244 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)N(C)c1ccccc1 ZINC001303716909 1068264427 /nfs/dbraw/zinc/26/44/27/1068264427.db2.gz HWVLRBKCGHTYRC-YADHBBJMSA-N 1 1 470.662 3.244 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)N(C)c1ccccc1 ZINC001303716909 1068264440 /nfs/dbraw/zinc/26/44/40/1068264440.db2.gz HWVLRBKCGHTYRC-YADHBBJMSA-N 1 1 470.662 3.244 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305159917 1068268685 /nfs/dbraw/zinc/26/86/85/1068268685.db2.gz GSQJLLBOVCQERK-RTBURBONSA-N 1 1 459.639 3.363 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001303721830 1068271247 /nfs/dbraw/zinc/27/12/47/1068271247.db2.gz IEPYOLJLCDYVQT-TZIWHRDSSA-N 1 1 459.660 3.295 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305164626 1068274217 /nfs/dbraw/zinc/27/42/17/1068274217.db2.gz IOIOVPDXCMEUDT-SFHLNBCPSA-N 1 1 484.649 3.205 20 0 JGADMO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001303724078 1068274997 /nfs/dbraw/zinc/27/49/97/1068274997.db2.gz WQISOVVXUJNJII-IRLDBZIGSA-N 1 1 489.686 3.204 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303728246 1068282239 /nfs/dbraw/zinc/28/22/39/1068282239.db2.gz KRPWVBUEFYOANQ-VQTJNVASSA-N 1 1 483.661 3.440 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303730318 1068285393 /nfs/dbraw/zinc/28/53/93/1068285393.db2.gz ASYNIGUDDOPQFE-FQEVSTJZSA-N 1 1 487.574 3.469 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001303732752 1068288230 /nfs/dbraw/zinc/28/82/30/1068288230.db2.gz WWRHPSARNBZBJY-CTNGQTDRSA-N 1 1 469.634 3.194 20 0 JGADMO C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001303734889 1068291392 /nfs/dbraw/zinc/29/13/92/1068291392.db2.gz QOKDNHVNMCULFZ-OAQYLSRUSA-N 1 1 467.687 3.291 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2nccs2)CC1 ZINC001303735403 1068292459 /nfs/dbraw/zinc/29/24/59/1068292459.db2.gz DRIGABGEQDTJFT-GOSISDBHSA-N 1 1 459.664 3.217 20 0 JGADMO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)s1)[N@@H+](C)C1CC1 ZINC001303736668 1068295220 /nfs/dbraw/zinc/29/52/20/1068295220.db2.gz NCKLUMNANNVOPS-AWEZNQCLSA-N 1 1 481.464 3.344 20 0 JGADMO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)C1CC1 ZINC001303737106 1068295326 /nfs/dbraw/zinc/29/53/26/1068295326.db2.gz NGRCRVYWUKZDKW-QAPCUYQASA-N 1 1 484.091 3.330 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCCO1 ZINC001305180366 1068296487 /nfs/dbraw/zinc/29/64/87/1068296487.db2.gz REEYTBNOICKOMJ-RTWAWAEBSA-N 1 1 494.681 3.372 20 0 JGADMO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001303738304 1068297035 /nfs/dbraw/zinc/29/70/35/1068297035.db2.gz XDYKNHZWAVHAQH-HUUCEWRRSA-N 1 1 452.575 3.234 20 0 JGADMO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)CCN1CC(F)(F)F ZINC001305182688 1068299656 /nfs/dbraw/zinc/29/96/56/1068299656.db2.gz LLBPAOWXRMFJEH-FPOVZHCZSA-N 1 1 480.579 3.377 20 0 JGADMO C[C@H](Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739729 1068299945 /nfs/dbraw/zinc/29/99/45/1068299945.db2.gz VRELXYKLVODNBP-NQIIRXRSSA-N 1 1 456.610 3.261 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305189967 1068310191 /nfs/dbraw/zinc/31/01/91/1068310191.db2.gz XIRATTLCXJLWIP-LJQANCHMSA-N 1 1 478.682 3.423 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305189967 1068310211 /nfs/dbraw/zinc/31/02/11/1068310211.db2.gz XIRATTLCXJLWIP-LJQANCHMSA-N 1 1 478.682 3.423 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305190333 1068311984 /nfs/dbraw/zinc/31/19/84/1068311984.db2.gz RCAQXAIZWJSCPY-LPHOPBHVSA-N 1 1 469.964 3.309 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CCN1CC(F)(F)F ZINC001305193175 1068316438 /nfs/dbraw/zinc/31/64/38/1068316438.db2.gz SXHSVCHPJHALIO-SFHVURJKSA-N 1 1 498.569 3.192 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CCN1CC(F)(F)F ZINC001305193175 1068316456 /nfs/dbraw/zinc/31/64/56/1068316456.db2.gz SXHSVCHPJHALIO-SFHVURJKSA-N 1 1 498.569 3.192 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)CN2CCOCC2)CC1 ZINC001303754220 1068316803 /nfs/dbraw/zinc/31/68/03/1068316803.db2.gz GTZKNARZDCVLGA-GOSISDBHSA-N 1 1 465.017 3.236 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001305193479 1068317151 /nfs/dbraw/zinc/31/71/51/1068317151.db2.gz VHGLQFWGNWVGAQ-VQIMIIECSA-N 1 1 452.525 3.294 20 0 JGADMO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001303755169 1068318763 /nfs/dbraw/zinc/31/87/63/1068318763.db2.gz FHSURUISTIBXHQ-JOCHJYFZSA-N 1 1 458.647 3.489 20 0 JGADMO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C[NH+]1CCOCC1 ZINC001303756627 1068320256 /nfs/dbraw/zinc/32/02/56/1068320256.db2.gz UNKYOYHVTVAKTD-IWQHBPENSA-N 1 1 478.037 3.247 20 0 JGADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303760068 1068325424 /nfs/dbraw/zinc/32/54/24/1068325424.db2.gz ASIXQXMEOPYIFZ-MOPGFXCFSA-N 1 1 474.675 3.110 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001305204431 1068329612 /nfs/dbraw/zinc/32/96/12/1068329612.db2.gz QZMAKCPPDBCFBC-QFIPXVFZSA-N 1 1 471.646 3.404 20 0 JGADMO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)C[NH+]1CCOCC1 ZINC001303764517 1068334482 /nfs/dbraw/zinc/33/44/82/1068334482.db2.gz SWCXUJSZTGCKHV-MOPGFXCFSA-N 1 1 478.037 3.483 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001303764604 1068334840 /nfs/dbraw/zinc/33/48/40/1068334840.db2.gz VDTRBYBFMSGCQN-VNTMZGSJSA-N 1 1 451.681 3.107 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001303765233 1068336531 /nfs/dbraw/zinc/33/65/31/1068336531.db2.gz XPQOFOMCFFHCHS-CLOONOSVSA-N 1 1 493.599 3.202 20 0 JGADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C(F)(F)F)O1 ZINC001305212914 1068344148 /nfs/dbraw/zinc/34/41/48/1068344148.db2.gz VJKLEVFNRMTWAL-OTWHNJEPSA-N 1 1 486.583 3.211 20 0 JGADMO C[C@@H]1COCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305220017 1068357530 /nfs/dbraw/zinc/35/75/30/1068357530.db2.gz DSJJVZWQNYGFDN-MOPGFXCFSA-N 1 1 464.010 3.237 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001305220835 1068358469 /nfs/dbraw/zinc/35/84/69/1068358469.db2.gz HDNITARTPHXACG-HSZRJFAPSA-N 1 1 496.700 3.305 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CC2CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305221579 1068360709 /nfs/dbraw/zinc/36/07/09/1068360709.db2.gz IDKOYPPIMNFCNH-WBVHZDCISA-N 1 1 454.566 3.064 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)O ZINC001305222048 1068361667 /nfs/dbraw/zinc/36/16/67/1068361667.db2.gz MHRYVPLIVULDQO-UKRRQHHQSA-N 1 1 452.372 3.291 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCC(N4CCCCC4=O)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305222319 1068362180 /nfs/dbraw/zinc/36/21/80/1068362180.db2.gz NUWVMPXDANXPQL-HXUWFJFHSA-N 1 1 460.667 3.058 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2ccncc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305222741 1068363375 /nfs/dbraw/zinc/36/33/75/1068363375.db2.gz MDLNRWKVTPFNLF-ICSRJNTNSA-N 1 1 469.634 3.240 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(C)O ZINC001305222811 1068364285 /nfs/dbraw/zinc/36/42/85/1068364285.db2.gz MYNWJJBFULTDOA-UYAOXDASSA-N 1 1 476.666 3.227 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N3CCN(CC(F)(F)F)[C@@H](C)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305223226 1068364670 /nfs/dbraw/zinc/36/46/70/1068364670.db2.gz SFBIAAVVENZZRB-OKZBNKHCSA-N 1 1 460.589 3.148 20 0 JGADMO CC(C)[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305224205 1068366820 /nfs/dbraw/zinc/36/68/20/1068366820.db2.gz QUAUHUAWXUJTLJ-MVOHMCPASA-N 1 1 476.666 3.430 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305224567 1068366894 /nfs/dbraw/zinc/36/68/94/1068366894.db2.gz XYXRLTRHKBHLAT-CEQIKUNHSA-N 1 1 465.440 3.126 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305224581 1068367085 /nfs/dbraw/zinc/36/70/85/1068367085.db2.gz XYXRLTRHKBHLAT-QLVMHMETSA-N 1 1 465.440 3.126 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CCC(CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305224754 1068367811 /nfs/dbraw/zinc/36/78/11/1068367811.db2.gz YTIIAZXXKAQOQD-NRFANRHFSA-N 1 1 474.694 3.305 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CCCCNC(=O)OC(C)(C)C ZINC001305225026 1068368445 /nfs/dbraw/zinc/36/84/45/1068368445.db2.gz SLGIJBIFKGYAFM-FPOVZHCZSA-N 1 1 469.634 3.242 20 0 JGADMO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305225625 1068369776 /nfs/dbraw/zinc/36/97/76/1068369776.db2.gz VPCJFVOXZIMCLP-NJYVYQBISA-N 1 1 484.645 3.486 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCCCO ZINC001305226360 1068370690 /nfs/dbraw/zinc/37/06/90/1068370690.db2.gz YUKSEWNFOZIOKC-IRLDBZIGSA-N 1 1 471.646 3.227 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001305233140 1068379588 /nfs/dbraw/zinc/37/95/88/1068379588.db2.gz ACONOXRKZDCWMG-MRXNPFEDSA-N 1 1 463.508 3.055 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001305233140 1068379600 /nfs/dbraw/zinc/37/96/00/1068379600.db2.gz ACONOXRKZDCWMG-MRXNPFEDSA-N 1 1 463.508 3.055 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 ZINC001305233803 1068380934 /nfs/dbraw/zinc/38/09/34/1068380934.db2.gz FVNJUDVFMHZJNH-HNNXBMFYSA-N 1 1 479.448 3.465 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 ZINC001305233803 1068380954 /nfs/dbraw/zinc/38/09/54/1068380954.db2.gz FVNJUDVFMHZJNH-HNNXBMFYSA-N 1 1 479.448 3.465 20 0 JGADMO C[C@H]1CSCCN1c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305234114 1068382603 /nfs/dbraw/zinc/38/26/03/1068382603.db2.gz KWXNOYPUJUEAJV-HOTGVXAUSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@H]1CSCCN1c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305234114 1068382619 /nfs/dbraw/zinc/38/26/19/1068382619.db2.gz KWXNOYPUJUEAJV-HOTGVXAUSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001305234948 1068384965 /nfs/dbraw/zinc/38/49/65/1068384965.db2.gz ZCHBTQAFYRZBQF-PMACEKPBSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001305234948 1068384976 /nfs/dbraw/zinc/38/49/76/1068384976.db2.gz ZCHBTQAFYRZBQF-PMACEKPBSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@H]1CSCCN1c1nnc(CCOc2ccccc2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305237223 1068386948 /nfs/dbraw/zinc/38/69/48/1068386948.db2.gz DEVJTYGGIACUQP-NRFANRHFSA-N 1 1 472.703 3.115 20 0 JGADMO C[C@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305239995 1068389896 /nfs/dbraw/zinc/38/98/96/1068389896.db2.gz XQGMJVDTWYLTND-INIZCTEOSA-N 1 1 451.587 3.200 20 0 JGADMO C[C@H]1N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1(C)C ZINC001305242225 1068393340 /nfs/dbraw/zinc/39/33/40/1068393340.db2.gz HVGSRARPGWZMNV-HXUWFJFHSA-N 1 1 457.619 3.014 20 0 JGADMO C[C@H]1N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1(C)C ZINC001305242225 1068393356 /nfs/dbraw/zinc/39/33/56/1068393356.db2.gz HVGSRARPGWZMNV-HXUWFJFHSA-N 1 1 457.619 3.014 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303800256 1068394369 /nfs/dbraw/zinc/39/43/69/1068394369.db2.gz XYZBYAKFUCWEPQ-VQTJNVASSA-N 1 1 499.660 3.190 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303800256 1068394386 /nfs/dbraw/zinc/39/43/86/1068394386.db2.gz XYZBYAKFUCWEPQ-VQTJNVASSA-N 1 1 499.660 3.190 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303803768 1068403315 /nfs/dbraw/zinc/40/33/15/1068403315.db2.gz OXYXJPVUKZAGAE-ZWOKBUDYSA-N 1 1 480.654 3.345 20 0 JGADMO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001303804397 1068405088 /nfs/dbraw/zinc/40/50/88/1068405088.db2.gz TXAIERSLRCKWAZ-LZLYRXPVSA-N 1 1 466.677 3.164 20 0 JGADMO C[C@@H]1OCC[C@@]1(O)Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305249560 1068407237 /nfs/dbraw/zinc/40/72/37/1068407237.db2.gz KDJHOKUDXVZTNU-HFZDXXHNSA-N 1 1 455.647 3.304 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303809276 1068416126 /nfs/dbraw/zinc/41/61/26/1068416126.db2.gz HMNXORSMLUQTQL-HOCLYGCPSA-N 1 1 496.012 3.091 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C ZINC001305254927 1068417387 /nfs/dbraw/zinc/41/73/87/1068417387.db2.gz MVFMVKNGUDLQAH-HZPDHXFCSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@@H]1C ZINC001305254927 1068417389 /nfs/dbraw/zinc/41/73/89/1068417389.db2.gz MVFMVKNGUDLQAH-HZPDHXFCSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@@H]1C ZINC001305254927 1068417390 /nfs/dbraw/zinc/41/73/90/1068417390.db2.gz MVFMVKNGUDLQAH-HZPDHXFCSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303816603 1068428951 /nfs/dbraw/zinc/42/89/51/1068428951.db2.gz VHJWQMPJIGWHPN-GHTZIAJQSA-N 1 1 488.683 3.251 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001305261539 1068430716 /nfs/dbraw/zinc/43/07/16/1068430716.db2.gz BGQDOSJXNHLZBK-FQEVSTJZSA-N 1 1 453.635 3.408 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303818264 1068432153 /nfs/dbraw/zinc/43/21/53/1068432153.db2.gz ATBIIVAAMYLFPT-UTKZUKDTSA-N 1 1 492.665 3.317 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001305264074 1068440429 /nfs/dbraw/zinc/44/04/29/1068440429.db2.gz JYVDGXNWSLRJDP-OAQYLSRUSA-N 1 1 488.080 3.120 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001305264074 1068440435 /nfs/dbraw/zinc/44/04/35/1068440435.db2.gz JYVDGXNWSLRJDP-OAQYLSRUSA-N 1 1 488.080 3.120 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001305264074 1068440441 /nfs/dbraw/zinc/44/04/41/1068440441.db2.gz JYVDGXNWSLRJDP-OAQYLSRUSA-N 1 1 488.080 3.120 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001305265704 1068446607 /nfs/dbraw/zinc/44/66/07/1068446607.db2.gz IBEHIEQRNFNMFH-LEWJYISDSA-N 1 1 454.619 3.002 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001305265710 1068446707 /nfs/dbraw/zinc/44/67/07/1068446707.db2.gz IBEHIEQRNFNMFH-RTWAWAEBSA-N 1 1 454.619 3.002 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305266528 1068450210 /nfs/dbraw/zinc/45/02/10/1068450210.db2.gz LENCYIIQBCJCNW-IFMALSPDSA-N 1 1 467.662 3.269 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001305266423 1068450243 /nfs/dbraw/zinc/45/02/43/1068450243.db2.gz IPXVQORFJFWMEG-PXNSSMCTSA-N 1 1 450.591 3.224 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001303829965 1068453348 /nfs/dbraw/zinc/45/33/48/1068453348.db2.gz GCFBOPCEZJLVPQ-MXNKGDRCSA-N 1 1 492.665 3.127 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001305268515 1068457940 /nfs/dbraw/zinc/45/79/40/1068457940.db2.gz NGLCBDBSRUKMOE-IBGZPJMESA-N 1 1 472.609 3.366 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CC1(C)C ZINC001303833383 1068461414 /nfs/dbraw/zinc/46/14/14/1068461414.db2.gz HBRZUGOZEWKXCB-SVFBPWRDSA-N 1 1 480.723 3.415 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCCS1 ZINC001303835068 1068463362 /nfs/dbraw/zinc/46/33/62/1068463362.db2.gz VOYCTOWFRHROJY-IRFCIJBXSA-N 1 1 498.763 3.265 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CCC1CC1 ZINC001303835133 1068464063 /nfs/dbraw/zinc/46/40/63/1068464063.db2.gz WGILODNGJOHFOS-RBUKOAKNSA-N 1 1 466.696 3.169 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001305272245 1068471147 /nfs/dbraw/zinc/47/11/47/1068471147.db2.gz TUHJYVIEJOLMKJ-SFTDATJTSA-N 1 1 454.619 3.145 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001305272878 1068473345 /nfs/dbraw/zinc/47/33/45/1068473345.db2.gz VLYVJCMSNLKAQS-NHCUHLMSSA-N 1 1 454.619 3.145 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303843345 1068473484 /nfs/dbraw/zinc/47/34/84/1068473484.db2.gz WIXTUQRVUUOLHG-MOPGFXCFSA-N 1 1 466.696 3.169 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303847268 1068481670 /nfs/dbraw/zinc/48/16/70/1068481670.db2.gz VAOQKCVWFDMWKB-NHCUHLMSSA-N 1 1 486.686 3.447 20 0 JGADMO Cc1ccc(CCC(=O)NCC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)sc3c2)cc1 ZINC001303848160 1068482443 /nfs/dbraw/zinc/48/24/43/1068482443.db2.gz JRIKMDWJLAFCRF-UHFFFAOYSA-N 1 1 451.596 3.044 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCc1ccsc1 ZINC001303848728 1068483154 /nfs/dbraw/zinc/48/31/54/1068483154.db2.gz JJOSCHIGOMOHPM-SVFBPWRDSA-N 1 1 494.731 3.283 20 0 JGADMO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001305284957 1068486424 /nfs/dbraw/zinc/48/64/24/1068486424.db2.gz IYSOXTQMPCIXNR-FQEVSTJZSA-N 1 1 484.645 3.045 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303851232 1068488532 /nfs/dbraw/zinc/48/85/32/1068488532.db2.gz DFHLBJVDBVDCLC-AABGKKOBSA-N 1 1 478.663 3.477 20 0 JGADMO CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001305288480 1068491398 /nfs/dbraw/zinc/49/13/98/1068491398.db2.gz OIKQZRBOWNFMLE-OAQYLSRUSA-N 1 1 456.610 3.187 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303853686 1068493537 /nfs/dbraw/zinc/49/35/37/1068493537.db2.gz SCAAXSKBHBRIPT-AOCRQIFASA-N 1 1 454.685 3.196 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303856366 1068496432 /nfs/dbraw/zinc/49/64/32/1068496432.db2.gz VHLYDLRMMXCIBK-QXAKKESOSA-N 1 1 480.704 3.412 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001303855952 1068496475 /nfs/dbraw/zinc/49/64/75/1068496475.db2.gz CIQGCRYOARNWDG-INIZCTEOSA-N 1 1 499.056 3.184 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305293492 1068497761 /nfs/dbraw/zinc/49/77/61/1068497761.db2.gz JVWDPMDWSGPYFR-HYFFOGBASA-N 1 1 480.451 3.414 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305293492 1068497765 /nfs/dbraw/zinc/49/77/65/1068497765.db2.gz JVWDPMDWSGPYFR-HYFFOGBASA-N 1 1 480.451 3.414 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCOC1CCCCCC1 ZINC001303857656 1068498053 /nfs/dbraw/zinc/49/80/53/1068498053.db2.gz IWPPTACVHAKJFJ-FQEVSTJZSA-N 1 1 496.722 3.082 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297218 1068504429 /nfs/dbraw/zinc/50/44/29/1068504429.db2.gz HICRTEHXFPHGNA-HHJKRLRDSA-N 1 1 452.603 3.200 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297218 1068504442 /nfs/dbraw/zinc/50/44/42/1068504442.db2.gz HICRTEHXFPHGNA-HHJKRLRDSA-N 1 1 452.603 3.200 20 0 JGADMO CC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305299442 1068506859 /nfs/dbraw/zinc/50/68/59/1068506859.db2.gz MTBIDRKMXYORMV-AOUJKTHWSA-N 1 1 476.666 3.227 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305309957 1068518876 /nfs/dbraw/zinc/51/88/76/1068518876.db2.gz CLMZZWJPZFBZJR-HOYKHHGWSA-N 1 1 483.642 3.106 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001303893227 1068531180 /nfs/dbraw/zinc/53/11/80/1068531180.db2.gz PVHKYBYIPVKZCG-QZTJIDSGSA-N 1 1 472.609 3.392 20 0 JGADMO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305318209 1068534265 /nfs/dbraw/zinc/53/42/65/1068534265.db2.gz XFYSUMMKHWXBIY-KVZPGWMESA-N 1 1 463.667 3.254 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303896213 1068535498 /nfs/dbraw/zinc/53/54/98/1068535498.db2.gz YPQJREBUTOABOX-MSOLQXFVSA-N 1 1 458.582 3.133 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 ZINC001303896674 1068536520 /nfs/dbraw/zinc/53/65/20/1068536520.db2.gz BCYZEXKSTLXTSW-UGKGYDQZSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303899936 1068542884 /nfs/dbraw/zinc/54/28/84/1068542884.db2.gz XHQKYWMBZWFISI-LVCYWYKZSA-N 1 1 472.609 3.379 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303902522 1068545901 /nfs/dbraw/zinc/54/59/01/1068545901.db2.gz NQBNJRYYMRJUKP-SFHVURJKSA-N 1 1 458.582 3.148 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001303902321 1068546064 /nfs/dbraw/zinc/54/60/64/1068546064.db2.gz WJWWGRGEDMIUFY-CTNGQTDRSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001305325404 1068546406 /nfs/dbraw/zinc/54/64/06/1068546406.db2.gz FBGBXHYDTDOUSL-AOJNWGRGSA-N 1 1 471.646 3.170 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303904294 1068548474 /nfs/dbraw/zinc/54/84/74/1068548474.db2.gz WEUZIAYKRLIXDA-UQBPGWFLSA-N 1 1 485.608 3.383 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305330610 1068556649 /nfs/dbraw/zinc/55/66/49/1068556649.db2.gz XWHBKLPUQINILR-BTKWVRSESA-N 1 1 471.694 3.076 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001303910852 1068558975 /nfs/dbraw/zinc/55/89/75/1068558975.db2.gz HWVCAJXVNUIQRX-SQNIBIBYSA-N 1 1 461.010 3.258 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001305332700 1068562171 /nfs/dbraw/zinc/56/21/71/1068562171.db2.gz YHENKLMEJHVWLY-VAPDBKPJSA-N 1 1 487.645 3.135 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001305332689 1068562213 /nfs/dbraw/zinc/56/22/13/1068562213.db2.gz YHENKLMEJHVWLY-CHZKFRDHSA-N 1 1 487.645 3.135 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305333104 1068562652 /nfs/dbraw/zinc/56/26/52/1068562652.db2.gz IAQFWENVZKCXDT-UUOWRZLLSA-N 1 1 471.675 3.321 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305333958 1068563797 /nfs/dbraw/zinc/56/37/97/1068563797.db2.gz KLIAQZLFRRWVTO-LOYIFYEOSA-N 1 1 485.673 3.386 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303915837 1068567035 /nfs/dbraw/zinc/56/70/35/1068567035.db2.gz XFOZZUBGMMNHOR-QQMNAOGKSA-N 1 1 464.010 3.142 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303917053 1068569304 /nfs/dbraw/zinc/56/93/04/1068569304.db2.gz PATMQENZOVCXHT-IXDOHACOSA-N 1 1 455.538 3.031 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303918181 1068570102 /nfs/dbraw/zinc/57/01/02/1068570102.db2.gz XGJMQNPJSPTHGV-QMHKHESXSA-N 1 1 474.968 3.309 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305339713 1068574550 /nfs/dbraw/zinc/57/45/50/1068574550.db2.gz KIDYYRQKILZOBZ-DYCBMTEISA-N 1 1 477.694 3.426 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303923648 1068577683 /nfs/dbraw/zinc/57/76/83/1068577683.db2.gz HJELBIBQNWKIIT-SLFFLAALSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303923892 1068578164 /nfs/dbraw/zinc/57/81/64/1068578164.db2.gz RNEWDAACDXJOLM-MSOLQXFVSA-N 1 1 490.605 3.202 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCC(=O)N(C)C ZINC001303931611 1068589112 /nfs/dbraw/zinc/58/91/12/1068589112.db2.gz GXZWLHRWBBJCTQ-OALUTQOASA-N 1 1 458.582 3.100 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001305354778 1068602791 /nfs/dbraw/zinc/60/27/91/1068602791.db2.gz TUZOMBXUMXYWCB-NNWRFLSQSA-N 1 1 454.619 3.003 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303949908 1068611730 /nfs/dbraw/zinc/61/17/30/1068611730.db2.gz GTYUUROWYFUORW-HXUWFJFHSA-N 1 1 456.610 3.233 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001305359725 1068611887 /nfs/dbraw/zinc/61/18/87/1068611887.db2.gz GLBWAYLZUAVCMJ-KIVTUJJHSA-N 1 1 459.610 3.370 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305374170 1068628501 /nfs/dbraw/zinc/62/85/01/1068628501.db2.gz CODNJGVDKDXMNR-VSKRKVRLSA-N 1 1 478.726 3.474 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305380961 1068632533 /nfs/dbraw/zinc/63/25/33/1068632533.db2.gz PHGFGSWCVHITPF-AQNXPRMDSA-N 1 1 477.675 3.331 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H](C)N1CCOCC1 ZINC001305391762 1068636908 /nfs/dbraw/zinc/63/69/08/1068636908.db2.gz FHVPBWWAAMSRRZ-WMTXJRDZSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC001305396859 1068639445 /nfs/dbraw/zinc/63/94/45/1068639445.db2.gz DHAPKEXNXDNZTD-YSFYHYPLSA-N 1 1 485.677 3.005 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC001305396859 1068639449 /nfs/dbraw/zinc/63/94/49/1068639449.db2.gz DHAPKEXNXDNZTD-YSFYHYPLSA-N 1 1 485.677 3.005 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC001305398237 1068640747 /nfs/dbraw/zinc/64/07/47/1068640747.db2.gz KVKMQNXHAUYUEU-IRLDBZIGSA-N 1 1 488.677 3.314 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC001305398237 1068640753 /nfs/dbraw/zinc/64/07/53/1068640753.db2.gz KVKMQNXHAUYUEU-IRLDBZIGSA-N 1 1 488.677 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCCn1cccn1 ZINC001305403148 1068643516 /nfs/dbraw/zinc/64/35/16/1068643516.db2.gz LOQIMINOAZMPHF-JAXLGGSGSA-N 1 1 453.639 3.331 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305403579 1068644291 /nfs/dbraw/zinc/64/42/91/1068644291.db2.gz MCNUIXKEJCIHCW-BESBDSHLSA-N 1 1 456.683 3.386 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305403579 1068644296 /nfs/dbraw/zinc/64/42/96/1068644296.db2.gz MCNUIXKEJCIHCW-BESBDSHLSA-N 1 1 456.683 3.386 20 0 JGADMO CC[C@H](C)c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305404909 1068644950 /nfs/dbraw/zinc/64/49/50/1068644950.db2.gz CMVALJXSBMJPPF-PKOBYXMFSA-N 1 1 455.632 3.455 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(C)(C)c1ccccn1 ZINC001305411198 1068649979 /nfs/dbraw/zinc/64/99/79/1068649979.db2.gz JECNDLGYRZKWIP-VWPQPMDRSA-N 1 1 467.662 3.153 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(C)(C)c1ccccn1 ZINC001305411196 1068650009 /nfs/dbraw/zinc/65/00/09/1068650009.db2.gz JECNDLGYRZKWIP-TUNNFDKTSA-N 1 1 467.662 3.153 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccccc1Cl ZINC001305412691 1068651389 /nfs/dbraw/zinc/65/13/89/1068651389.db2.gz QVHCLLWRZFEIIK-SPEDKVCISA-N 1 1 459.038 3.482 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001305412088 1068651408 /nfs/dbraw/zinc/65/14/08/1068651408.db2.gz NTGQRTXGMJBYMZ-OCCJOITDSA-N 1 1 474.694 3.374 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001305417287 1068654565 /nfs/dbraw/zinc/65/45/65/1068654565.db2.gz DCYZJVOLSBTQBN-SLFFLAALSA-N 1 1 485.620 3.170 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001305417293 1068654585 /nfs/dbraw/zinc/65/45/85/1068654585.db2.gz DCYZJVOLSBTQBN-XUVXKRRUSA-N 1 1 485.620 3.170 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305423955 1068658855 /nfs/dbraw/zinc/65/88/55/1068658855.db2.gz BIYCJBPDZMBTQM-JKSUJKDBSA-N 1 1 467.540 3.146 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305426118 1068662958 /nfs/dbraw/zinc/66/29/58/1068662958.db2.gz NXJXWQKZRVDFHV-VXKWHMMOSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001305426773 1068664097 /nfs/dbraw/zinc/66/40/97/1068664097.db2.gz QDDDKUXDBRMLLZ-KSEOMHKRSA-N 1 1 455.603 3.082 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305426667 1068664205 /nfs/dbraw/zinc/66/42/05/1068664205.db2.gz QMGTUMBXYMBFGV-NRFANRHFSA-N 1 1 473.710 3.047 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305426667 1068664207 /nfs/dbraw/zinc/66/42/07/1068664207.db2.gz QMGTUMBXYMBFGV-NRFANRHFSA-N 1 1 473.710 3.047 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305426667 1068664210 /nfs/dbraw/zinc/66/42/10/1068664210.db2.gz QMGTUMBXYMBFGV-NRFANRHFSA-N 1 1 473.710 3.047 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001305429455 1068667947 /nfs/dbraw/zinc/66/79/47/1068667947.db2.gz MGXGLIIRHITIGC-IERDGZPVSA-N 1 1 467.540 3.144 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001305430005 1068668626 /nfs/dbraw/zinc/66/86/26/1068668626.db2.gz ORSZYSGBXRMPLO-JXQFQVJHSA-N 1 1 464.655 3.348 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001305435985 1068671987 /nfs/dbraw/zinc/67/19/87/1068671987.db2.gz RTJGFUMPIXZHDN-PMACEKPBSA-N 1 1 464.618 3.046 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001305435986 1068672013 /nfs/dbraw/zinc/67/20/13/1068672013.db2.gz RTJGFUMPIXZHDN-UXHICEINSA-N 1 1 464.618 3.046 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC1(SC)CC1 ZINC001305437795 1068673114 /nfs/dbraw/zinc/67/31/14/1068673114.db2.gz BFYRVOXLNHYHFK-IBGZPJMESA-N 1 1 462.708 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@H]1CSCCS1 ZINC001305437754 1068673246 /nfs/dbraw/zinc/67/32/46/1068673246.db2.gz APRUAORYLPFEEX-FPOVZHCZSA-N 1 1 494.775 3.411 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001305438223 1068673920 /nfs/dbraw/zinc/67/39/20/1068673920.db2.gz SINZMWWBOZVNDM-FIXSFTCYSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305442665 1068677675 /nfs/dbraw/zinc/67/76/75/1068677675.db2.gz GWFGCAUNPXGYFQ-RTBURBONSA-N 1 1 464.655 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305444472 1068679540 /nfs/dbraw/zinc/67/95/40/1068679540.db2.gz SLBMKRUVPHVUPJ-PCCBWWKXSA-N 1 1 478.682 3.332 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001305444800 1068679669 /nfs/dbraw/zinc/67/96/69/1068679669.db2.gz UJAOOJRLCIRVTJ-JOCHJYFZSA-N 1 1 482.673 3.389 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305447913 1068681724 /nfs/dbraw/zinc/68/17/24/1068681724.db2.gz CIPCDBDVEHCVEZ-OFNKIYASSA-N 1 1 484.693 3.436 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305449272 1068683494 /nfs/dbraw/zinc/68/34/94/1068683494.db2.gz JBWLMWDJAPZWMS-RTBURBONSA-N 1 1 468.712 3.162 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305450587 1068686044 /nfs/dbraw/zinc/68/60/44/1068686044.db2.gz RJWCFJCAFYWIDE-PWRODBHTSA-N 1 1 478.682 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305450584 1068686110 /nfs/dbraw/zinc/68/61/10/1068686110.db2.gz RJWCFJCAFYWIDE-ACRUOGEOSA-N 1 1 478.682 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1nccn1C(F)F ZINC001305454799 1068693245 /nfs/dbraw/zinc/69/32/45/1068693245.db2.gz AANDVVXBANIQMT-SFHVURJKSA-N 1 1 464.609 3.426 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305454870 1068693264 /nfs/dbraw/zinc/69/32/64/1068693264.db2.gz APIZZXCTVOMJNX-WMZHIEFXSA-N 1 1 453.635 3.015 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001305454863 1068693311 /nfs/dbraw/zinc/69/33/11/1068693311.db2.gz AMSSLSYOGPOMMZ-UWUFEASWSA-N 1 1 458.626 3.055 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305456551 1068696523 /nfs/dbraw/zinc/69/65/23/1068696523.db2.gz GBEOVJOZTWDZLQ-PKOBYXMFSA-N 1 1 463.577 3.053 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305457605 1068699326 /nfs/dbraw/zinc/69/93/26/1068699326.db2.gz JLWWTWRVTOFFDZ-FPOVZHCZSA-N 1 1 477.698 3.169 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305459910 1068702407 /nfs/dbraw/zinc/70/24/07/1068702407.db2.gz QHXBVLGJMVLGCR-SLFFLAALSA-N 1 1 464.655 3.132 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001305460857 1068703694 /nfs/dbraw/zinc/70/36/94/1068703694.db2.gz UAYOFFYWZZVUDP-QFQXNSOFSA-N 1 1 472.653 3.446 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305463892 1068707640 /nfs/dbraw/zinc/70/76/40/1068707640.db2.gz OZVRLNVTNQDXCW-IRLDBZIGSA-N 1 1 463.667 3.457 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305463892 1068707649 /nfs/dbraw/zinc/70/76/49/1068707649.db2.gz OZVRLNVTNQDXCW-IRLDBZIGSA-N 1 1 463.667 3.457 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001305464608 1068708108 /nfs/dbraw/zinc/70/81/08/1068708108.db2.gz CNMFDOPKAMEGEG-BWAGFHJFSA-N 1 1 459.660 3.326 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305482493 1068719404 /nfs/dbraw/zinc/71/94/04/1068719404.db2.gz RYGBTVGUQMLUIH-IRLDBZIGSA-N 1 1 456.683 3.183 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305487693 1068725481 /nfs/dbraw/zinc/72/54/81/1068725481.db2.gz PZODKYOKHJPVNJ-UFYCRDLUSA-N 1 1 460.598 3.220 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305492639 1068730795 /nfs/dbraw/zinc/73/07/95/1068730795.db2.gz OGPFQJJPWKYBDE-HBMCJLEFSA-N 1 1 470.666 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](OCCOC)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305493436 1068731738 /nfs/dbraw/zinc/73/17/38/1068731738.db2.gz ZSICUGBTLVTVFA-RXVVDRJESA-N 1 1 453.591 3.361 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001305501798 1068736960 /nfs/dbraw/zinc/73/69/60/1068736960.db2.gz DGZRNNNMEZXWQV-IBGZPJMESA-N 1 1 462.664 3.081 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305505845 1068742064 /nfs/dbraw/zinc/74/20/64/1068742064.db2.gz PPWRWDAWCKFNLB-NHCUHLMSSA-N 1 1 468.646 3.028 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305505845 1068742074 /nfs/dbraw/zinc/74/20/74/1068742074.db2.gz PPWRWDAWCKFNLB-NHCUHLMSSA-N 1 1 468.646 3.028 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305508372 1068746408 /nfs/dbraw/zinc/74/64/08/1068746408.db2.gz CLWZFMRJIUNSQA-UPVQGACJSA-N 1 1 482.673 3.299 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001305510729 1068750805 /nfs/dbraw/zinc/75/08/05/1068750805.db2.gz QYGNOBVDPQZBLE-SLFFLAALSA-N 1 1 474.654 3.079 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305510732 1068750836 /nfs/dbraw/zinc/75/08/36/1068750836.db2.gz QYGNOBVDPQZBLE-UFYCRDLUSA-N 1 1 474.654 3.079 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCc1cccc(F)c1 ZINC001305512681 1068755239 /nfs/dbraw/zinc/75/52/39/1068755239.db2.gz HLLFFGQOAVHNCB-DENIHFKCSA-N 1 1 456.610 3.306 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512673 1068755461 /nfs/dbraw/zinc/75/54/61/1068755461.db2.gz HLDMRHNVOPUGPD-NZQKXSOJSA-N 1 1 484.645 3.012 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCc1cccc(F)c1 ZINC001305512686 1068756183 /nfs/dbraw/zinc/75/61/83/1068756183.db2.gz HLLFFGQOAVHNCB-UGKGYDQZSA-N 1 1 456.610 3.306 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCc1cccc(F)c1 ZINC001305512684 1068756227 /nfs/dbraw/zinc/75/62/27/1068756227.db2.gz HLLFFGQOAVHNCB-SIKLNZKXSA-N 1 1 456.610 3.306 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1c(F)cccc1SC ZINC001305514185 1068759580 /nfs/dbraw/zinc/75/95/80/1068759580.db2.gz NSQGFOSUGPWKDI-YLJYHZDGSA-N 1 1 474.650 3.444 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001305514556 1068760686 /nfs/dbraw/zinc/76/06/86/1068760686.db2.gz PUKMUQUSQITLMQ-PZJWPPBQSA-N 1 1 456.610 3.306 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C\Sc2cc(F)ccc2F)CC1 ZINC001305515544 1068762859 /nfs/dbraw/zinc/76/28/59/1068762859.db2.gz FFXGTKKLXLSCKQ-PLTPHKKDSA-N 1 1 459.562 3.462 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CCCCn1cc[nH+]c1C ZINC001305524055 1068777055 /nfs/dbraw/zinc/77/70/55/1068777055.db2.gz QUFBZNRUFZGCRQ-IBGZPJMESA-N 1 1 464.618 3.202 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305524424 1068777225 /nfs/dbraw/zinc/77/72/25/1068777225.db2.gz UWXVNYDKKBIQDU-PWRODBHTSA-N 1 1 475.707 3.488 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305528990 1068783621 /nfs/dbraw/zinc/78/36/21/1068783621.db2.gz XTRSUGARTAAWTN-LJQANCHMSA-N 1 1 475.085 3.193 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305528990 1068783635 /nfs/dbraw/zinc/78/36/35/1068783635.db2.gz XTRSUGARTAAWTN-LJQANCHMSA-N 1 1 475.085 3.193 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305528990 1068783643 /nfs/dbraw/zinc/78/36/43/1068783643.db2.gz XTRSUGARTAAWTN-LJQANCHMSA-N 1 1 475.085 3.193 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305529816 1068784904 /nfs/dbraw/zinc/78/49/04/1068784904.db2.gz HAAULSVPAHUTFT-IRLDBZIGSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001305530438 1068785888 /nfs/dbraw/zinc/78/58/88/1068785888.db2.gz BAOPPHAVNOVIMH-IOJLRTSASA-N 1 1 451.681 3.460 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC1(OCCOC)CCOCC1 ZINC001305531320 1068787423 /nfs/dbraw/zinc/78/74/23/1068787423.db2.gz UDWLBAMWICZIOU-NHCUHLMSSA-N 1 1 463.667 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305531750 1068788520 /nfs/dbraw/zinc/78/85/20/1068788520.db2.gz GVDQFUYPXPAYQQ-SLFFLAALSA-N 1 1 470.666 3.104 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCN(C)CC(F)(F)F ZINC001305532404 1068789533 /nfs/dbraw/zinc/78/95/33/1068789533.db2.gz BFXRFAPHKTVSOV-MSOLQXFVSA-N 1 1 460.589 3.365 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCCNC(=O)c1occc1C ZINC001305536200 1068797942 /nfs/dbraw/zinc/79/79/42/1068797942.db2.gz DDNIODYUJMCQEG-SFHVURJKSA-N 1 1 496.660 3.186 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001305539069 1068806149 /nfs/dbraw/zinc/80/61/49/1068806149.db2.gz OMLOKXDOTIDPQK-RBBKRZOGSA-N 1 1 476.616 3.470 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305539247 1068806723 /nfs/dbraw/zinc/80/67/23/1068806723.db2.gz DFCSPQBYPJDYTG-URXFXBBRSA-N 1 1 454.663 3.269 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305539247 1068806742 /nfs/dbraw/zinc/80/67/42/1068806742.db2.gz DFCSPQBYPJDYTG-URXFXBBRSA-N 1 1 454.663 3.269 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)s1 ZINC001305543163 1068816986 /nfs/dbraw/zinc/81/69/86/1068816986.db2.gz HRAQEWGCGOTAGL-PZJWPPBQSA-N 1 1 460.692 3.441 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001305543174 1068817298 /nfs/dbraw/zinc/81/72/98/1068817298.db2.gz HUXMNNQXYKAKSS-VSKRKVRLSA-N 1 1 468.694 3.296 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001305543172 1068817342 /nfs/dbraw/zinc/81/73/42/1068817342.db2.gz HUXMNNQXYKAKSS-FDFHNCONSA-N 1 1 468.694 3.296 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001305543423 1068817711 /nfs/dbraw/zinc/81/77/11/1068817711.db2.gz JNLVMLRNJUARGT-WMTXJRDZSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1CC1(c2ccc(F)cc2)CCOCC1 ZINC001305543341 1068817874 /nfs/dbraw/zinc/81/78/74/1068817874.db2.gz ADZQPZCBDVBHJR-HXUWFJFHSA-N 1 1 459.610 3.448 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001305543422 1068817984 /nfs/dbraw/zinc/81/79/84/1068817984.db2.gz JNLVMLRNJUARGT-CQOQZXRMSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544258 1068819702 /nfs/dbraw/zinc/81/97/02/1068819702.db2.gz GMQUANTYWLMGES-FGZHOGPDSA-N 1 1 476.710 3.372 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544443 1068820755 /nfs/dbraw/zinc/82/07/55/1068820755.db2.gz HZMGURYNKADKCB-QPPBQGQZSA-N 1 1 468.690 3.438 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544834 1068822409 /nfs/dbraw/zinc/82/24/09/1068822409.db2.gz RTGYTMLYKLVWBH-RPBOFIJWSA-N 1 1 489.753 3.145 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001305545182 1068823077 /nfs/dbraw/zinc/82/30/77/1068823077.db2.gz VOOOTHRZFYPNSX-VWNXMTODSA-N 1 1 452.647 3.391 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001305545672 1068823724 /nfs/dbraw/zinc/82/37/24/1068823724.db2.gz OXYWYLGJHZFRPM-MOPGFXCFSA-N 1 1 453.591 3.414 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1c(C)coc1C ZINC001305545763 1068824591 /nfs/dbraw/zinc/82/45/91/1068824591.db2.gz YOQRGHRXWCYIRL-DENIHFKCSA-N 1 1 458.651 3.281 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1c(C)coc1C ZINC001305545764 1068824697 /nfs/dbraw/zinc/82/46/97/1068824697.db2.gz YOQRGHRXWCYIRL-KNQAVFIVSA-N 1 1 458.651 3.281 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1cccc(C2OCCO2)c1 ZINC001305547017 1068826615 /nfs/dbraw/zinc/82/66/15/1068826615.db2.gz XIWHDOLHWRLFDG-KNQAVFIVSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001305553678 1068832275 /nfs/dbraw/zinc/83/22/75/1068832275.db2.gz ROYPWYFTTAKMEJ-OTWHNJEPSA-N 1 1 458.573 3.119 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305554847 1068832756 /nfs/dbraw/zinc/83/27/56/1068832756.db2.gz MADKYWVKTQIFDZ-REWPJTCUSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305554847 1068832772 /nfs/dbraw/zinc/83/27/72/1068832772.db2.gz MADKYWVKTQIFDZ-REWPJTCUSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305554847 1068832789 /nfs/dbraw/zinc/83/27/89/1068832789.db2.gz MADKYWVKTQIFDZ-REWPJTCUSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305555291 1068832980 /nfs/dbraw/zinc/83/29/80/1068832980.db2.gz XWKDKYIHLCOBNV-IRXDYDNUSA-N 1 1 468.572 3.053 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305556268 1068833865 /nfs/dbraw/zinc/83/38/65/1068833865.db2.gz MEGOPNHMZIOVSC-VJBMBRPKSA-N 1 1 486.636 3.451 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CC=CCC1 ZINC001305574512 1068847678 /nfs/dbraw/zinc/84/76/78/1068847678.db2.gz AQPSLPWMLGIHEP-GOSISDBHSA-N 1 1 459.664 3.291 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305578737 1068850574 /nfs/dbraw/zinc/85/05/74/1068850574.db2.gz RGOYXGXACUJIOP-MSOLQXFVSA-N 1 1 456.616 3.290 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305579819 1068850999 /nfs/dbraw/zinc/85/09/99/1068850999.db2.gz WTWADAHHHQKUIC-FHWLQOOXSA-N 1 1 457.623 3.296 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001305602164 1068865012 /nfs/dbraw/zinc/86/50/12/1068865012.db2.gz APLHQJYLJYPWNX-RTWAWAEBSA-N 1 1 455.651 3.408 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001305602164 1068865018 /nfs/dbraw/zinc/86/50/18/1068865018.db2.gz APLHQJYLJYPWNX-RTWAWAEBSA-N 1 1 455.651 3.408 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001305602795 1068866141 /nfs/dbraw/zinc/86/61/41/1068866141.db2.gz FTFYOEMUGOLGOH-TZIWHRDSSA-N 1 1 456.610 3.453 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305603006 1068866169 /nfs/dbraw/zinc/86/61/69/1068866169.db2.gz HTFBIGATEJAPDX-VQTJNVASSA-N 1 1 491.681 3.080 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305603007 1068866576 /nfs/dbraw/zinc/86/65/76/1068866576.db2.gz HTFBIGATEJAPDX-WOJBJXKFSA-N 1 1 491.681 3.080 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305603704 1068868617 /nfs/dbraw/zinc/86/86/17/1068868617.db2.gz AYZOLEQJUNTCDP-BTYIYWSLSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001305604091 1068869028 /nfs/dbraw/zinc/86/90/28/1068869028.db2.gz DPQVFHBUYOFWCZ-GOSISDBHSA-N 1 1 498.031 3.392 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001305604576 1068869857 /nfs/dbraw/zinc/86/98/57/1068869857.db2.gz NZYLGCQTHCYZID-MOPGFXCFSA-N 1 1 491.631 3.308 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccsc2)CC1 ZINC001305604556 1068869901 /nfs/dbraw/zinc/86/99/01/1068869901.db2.gz NPJIKSXHAVZEKX-IRXDYDNUSA-N 1 1 468.693 3.064 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 ZINC001305604241 1068869961 /nfs/dbraw/zinc/86/99/61/1068869961.db2.gz MNKTWTIFMPDUJV-OAHLLOKOSA-N 1 1 454.953 3.437 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccsc2)CC1 ZINC001305604554 1068870126 /nfs/dbraw/zinc/87/01/26/1068870126.db2.gz NPJIKSXHAVZEKX-DLBZAZTESA-N 1 1 468.693 3.064 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001305604897 1068870719 /nfs/dbraw/zinc/87/07/19/1068870719.db2.gz CLBYREDOXLMFEC-AEFFLSMTSA-N 1 1 492.466 3.357 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001305605535 1068871993 /nfs/dbraw/zinc/87/19/93/1068871993.db2.gz GITZKIFUTWJRIV-DYESRHJHSA-N 1 1 493.027 3.296 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CCS(C)(=O)=O ZINC001305605492 1068872071 /nfs/dbraw/zinc/87/20/71/1068872071.db2.gz FGOOXSWBWFUWFG-SFHVURJKSA-N 1 1 458.632 3.013 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001305605804 1068872276 /nfs/dbraw/zinc/87/22/76/1068872276.db2.gz QZNHJAGWEKFFDZ-NRFANRHFSA-N 1 1 461.699 3.045 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ncc(Cl)n1C ZINC001305605916 1068873262 /nfs/dbraw/zinc/87/32/62/1068873262.db2.gz KARSVXLJBVSIKN-INIZCTEOSA-N 1 1 474.009 3.470 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC001305606277 1068873766 /nfs/dbraw/zinc/87/37/66/1068873766.db2.gz SSUSYWPXYCGKBL-OAQYLSRUSA-N 1 1 470.662 3.029 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001305606510 1068873810 /nfs/dbraw/zinc/87/38/10/1068873810.db2.gz MHNDUISKWNMKRU-GOSISDBHSA-N 1 1 454.619 3.179 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC001305606276 1068873938 /nfs/dbraw/zinc/87/39/38/1068873938.db2.gz SSUSYWPXYCGKBL-NRFANRHFSA-N 1 1 470.662 3.029 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305606838 1068874600 /nfs/dbraw/zinc/87/46/00/1068874600.db2.gz IMUGIGQOIKEYJF-RBUKOAKNSA-N 1 1 470.643 3.155 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001305607158 1068875249 /nfs/dbraw/zinc/87/52/49/1068875249.db2.gz WINFRTIUWSHJSN-UNMCSNQZSA-N 1 1 481.645 3.079 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(Cc3ccccc3C2=O)CC1 ZINC001305607641 1068876456 /nfs/dbraw/zinc/87/64/56/1068876456.db2.gz XUHWGNNWELSJIJ-IBGZPJMESA-N 1 1 466.630 3.172 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001305607574 1068876668 /nfs/dbraw/zinc/87/66/68/1068876668.db2.gz QPSGVJQMUVXSOJ-ROUUACIJSA-N 1 1 466.552 3.489 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001305607910 1068877335 /nfs/dbraw/zinc/87/73/35/1068877335.db2.gz MUXNIAODIILNDI-KRWDZBQOSA-N 1 1 459.591 3.082 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001305607955 1068877405 /nfs/dbraw/zinc/87/74/05/1068877405.db2.gz NNRWUDRMWLVMLJ-PMACEKPBSA-N 1 1 456.635 3.377 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305608123 1068878069 /nfs/dbraw/zinc/87/80/69/1068878069.db2.gz ORNLJBJXQYRIJJ-KBPBESRZSA-N 1 1 469.453 3.214 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001305609450 1068881665 /nfs/dbraw/zinc/88/16/65/1068881665.db2.gz DHMSLXKVSQMDOK-LEWJYISDSA-N 1 1 467.662 3.324 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001305609450 1068881675 /nfs/dbraw/zinc/88/16/75/1068881675.db2.gz DHMSLXKVSQMDOK-LEWJYISDSA-N 1 1 467.662 3.324 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001305609454 1068882045 /nfs/dbraw/zinc/88/20/45/1068882045.db2.gz DHTMEDKYPNPOLB-IEDBIQLYSA-N 1 1 457.648 3.344 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305609481 1068882111 /nfs/dbraw/zinc/88/21/11/1068882111.db2.gz UQUGCAMEXSLCJH-NVXWUHKLSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCS(=O)CC1 ZINC001305609969 1068883209 /nfs/dbraw/zinc/88/32/09/1068883209.db2.gz XRGTYKKNBHUPCV-OAHLLOKOSA-N 1 1 454.438 3.007 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001305610308 1068884878 /nfs/dbraw/zinc/88/48/78/1068884878.db2.gz GRKZTODJCLZJFN-HXUWFJFHSA-N 1 1 455.651 3.385 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001305610678 1068885557 /nfs/dbraw/zinc/88/55/57/1068885557.db2.gz ZQGNLPXLGOVFJZ-IBGZPJMESA-N 1 1 490.718 3.491 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001305611408 1068886228 /nfs/dbraw/zinc/88/62/28/1068886228.db2.gz ZZDCFAJQNLRDJX-CDNPAEQRSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001305611956 1068886764 /nfs/dbraw/zinc/88/67/64/1068886764.db2.gz AQJAIPQQKLNNDU-LEWJYISDSA-N 1 1 455.651 3.367 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001305612329 1068887651 /nfs/dbraw/zinc/88/76/51/1068887651.db2.gz CGMITEXTHGDUDU-XLIONFOSSA-N 1 1 481.580 3.005 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001305612327 1068887680 /nfs/dbraw/zinc/88/76/80/1068887680.db2.gz CGMITEXTHGDUDU-PXNSSMCTSA-N 1 1 481.580 3.005 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001305613306 1068889363 /nfs/dbraw/zinc/88/93/63/1068889363.db2.gz FGOVEXJYUZPSEB-IFMALSPDSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001305613739 1068890008 /nfs/dbraw/zinc/89/00/08/1068890008.db2.gz XANMSVUVPSGRMT-FQEVSTJZSA-N 1 1 457.623 3.375 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001305614166 1068890441 /nfs/dbraw/zinc/89/04/41/1068890441.db2.gz LYCKOKBCOXOXJL-IIBYNOLFSA-N 1 1 459.545 3.265 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(CCc2cccs2)CC1 ZINC001305613954 1068890665 /nfs/dbraw/zinc/89/06/65/1068890665.db2.gz YFRMCKWMNSHOAZ-FQEVSTJZSA-N 1 1 453.660 3.497 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(CCc2cccs2)CC1 ZINC001305613954 1068890671 /nfs/dbraw/zinc/89/06/71/1068890671.db2.gz YFRMCKWMNSHOAZ-FQEVSTJZSA-N 1 1 453.660 3.497 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC001305614875 1068891933 /nfs/dbraw/zinc/89/19/33/1068891933.db2.gz QMNMOUBDAPHPCT-GOSISDBHSA-N 1 1 495.628 3.096 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001305615939 1068894152 /nfs/dbraw/zinc/89/41/52/1068894152.db2.gz RXIFWWPBNYEHKF-RDJZCZTQSA-N 1 1 482.555 3.016 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC001305615765 1068894329 /nfs/dbraw/zinc/89/43/29/1068894329.db2.gz CFNAHOREERYXOG-OAQYLSRUSA-N 1 1 470.662 3.300 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1 ZINC001305615970 1068894475 /nfs/dbraw/zinc/89/44/75/1068894475.db2.gz SGXPXMHNPNFSBM-FPOVZHCZSA-N 1 1 488.681 3.493 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305616814 1068896568 /nfs/dbraw/zinc/89/65/68/1068896568.db2.gz IMBKYZIZPLCVFW-ROUUACIJSA-N 1 1 450.628 3.006 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001305616839 1068896757 /nfs/dbraw/zinc/89/67/57/1068896757.db2.gz IQOVDNNWVWINRN-IRLDBZIGSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001305616950 1068897336 /nfs/dbraw/zinc/89/73/36/1068897336.db2.gz JKPDWUOIUKYCPR-IEBWSBKVSA-N 1 1 463.623 3.219 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001305617057 1068897417 /nfs/dbraw/zinc/89/74/17/1068897417.db2.gz GQCDXLXHFBZKRE-ROUUACIJSA-N 1 1 461.680 3.057 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001305617798 1068899856 /nfs/dbraw/zinc/89/98/56/1068899856.db2.gz APXKANMDSHSHLI-GHTZIAJQSA-N 1 1 469.590 3.165 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001305617717 1068899904 /nfs/dbraw/zinc/89/99/04/1068899904.db2.gz MPTWMPYOOHXLLC-BBTUJRGHSA-N 1 1 496.077 3.142 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001305618418 1068901421 /nfs/dbraw/zinc/90/14/21/1068901421.db2.gz FRELMMQVSGAXDC-CTNGQTDRSA-N 1 1 472.659 3.025 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001305618709 1068901976 /nfs/dbraw/zinc/90/19/76/1068901976.db2.gz DGPADDZSDKYEJB-QUCCMNQESA-N 1 1 479.094 3.475 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305619246 1068902600 /nfs/dbraw/zinc/90/26/00/1068902600.db2.gz FWTLBJSYXKBXBX-PLACYPQZSA-N 1 1 483.723 3.331 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001305619259 1068903516 /nfs/dbraw/zinc/90/35/16/1068903516.db2.gz FZZCVEMVUXBBIX-JJQOCIJLSA-N 1 1 463.667 3.311 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001305619892 1068904254 /nfs/dbraw/zinc/90/42/54/1068904254.db2.gz KAPVYDONNAEXPU-FQEVSTJZSA-N 1 1 466.609 3.049 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001305620514 1068905748 /nfs/dbraw/zinc/90/57/48/1068905748.db2.gz LONOPXSVBKPUCH-WOJBJXKFSA-N 1 1 473.691 3.076 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001305620522 1068905995 /nfs/dbraw/zinc/90/59/95/1068905995.db2.gz LVRMXWSKBGARSW-OAQYLSRUSA-N 1 1 456.635 3.200 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001305620904 1068906146 /nfs/dbraw/zinc/90/61/46/1068906146.db2.gz XQDNZADAKVJLRC-SFHVURJKSA-N 1 1 474.600 3.326 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](COC)C1 ZINC001305621816 1068909086 /nfs/dbraw/zinc/90/90/86/1068909086.db2.gz WYXBYKPKMUJRCN-LEWJYISDSA-N 1 1 453.635 3.500 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001305622097 1068909511 /nfs/dbraw/zinc/90/95/11/1068909511.db2.gz OEJFDGYODJIOSD-HXOBKFHXSA-N 1 1 463.026 3.203 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001305622259 1068910269 /nfs/dbraw/zinc/91/02/69/1068910269.db2.gz ZDAFZMCJHAAGMR-VQTJNVASSA-N 1 1 471.650 3.440 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001305622237 1068910416 /nfs/dbraw/zinc/91/04/16/1068910416.db2.gz OUTKHUQBNPYXHC-MYDTUXCISA-N 1 1 476.710 3.086 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001305623191 1068912955 /nfs/dbraw/zinc/91/29/55/1068912955.db2.gz SNMSMMHXHLLIFG-BDKRGJGYSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@H](c3nc(C)no3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305623190 1068913038 /nfs/dbraw/zinc/91/30/38/1068913038.db2.gz SMVDVNPCSGESHD-WXVUKLJWSA-N 1 1 475.638 3.124 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001305623135 1068913147 /nfs/dbraw/zinc/91/31/47/1068913147.db2.gz RTGVTVXXLHWAEG-XSWHYFMGSA-N 1 1 487.693 3.413 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001305623136 1068913319 /nfs/dbraw/zinc/91/33/19/1068913319.db2.gz RTGVTVXXLHWAEG-XTOGBABISA-N 1 1 487.693 3.413 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001305623385 1068913771 /nfs/dbraw/zinc/91/37/71/1068913771.db2.gz TYYGBEIUUBJVBN-HNAYVOBHSA-N 1 1 450.534 3.213 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001305623450 1068914212 /nfs/dbraw/zinc/91/42/12/1068914212.db2.gz UMZPLROMIBIJSI-NRFANRHFSA-N 1 1 496.635 3.460 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001305623506 1068914224 /nfs/dbraw/zinc/91/42/24/1068914224.db2.gz VIIYBWPIKXDOMA-WKWVNEEDSA-N 1 1 471.712 3.185 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001305628881 1068929981 /nfs/dbraw/zinc/92/99/81/1068929981.db2.gz KWCPGKFQSAVIJZ-CNNODRBYSA-N 1 1 489.064 3.450 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001305635352 1068945075 /nfs/dbraw/zinc/94/50/75/1068945075.db2.gz QIGFWYXUGWILOP-IRLDBZIGSA-N 1 1 461.614 3.356 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305640769 1068957592 /nfs/dbraw/zinc/95/75/92/1068957592.db2.gz QXGJUFNPTZJYSX-SFTDATJTSA-N 1 1 482.673 3.493 20 0 JGADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001305643550 1068966370 /nfs/dbraw/zinc/96/63/70/1068966370.db2.gz LWCRRMPJSYLSEE-YADHBBJMSA-N 1 1 495.716 3.059 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001305643717 1068966893 /nfs/dbraw/zinc/96/68/93/1068966893.db2.gz NYKJJHNSKIRCIB-UXHICEINSA-N 1 1 451.619 3.116 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001305644694 1068970169 /nfs/dbraw/zinc/97/01/69/1068970169.db2.gz ZTYFFIAQDSZFEF-PWRODBHTSA-N 1 1 456.635 3.389 20 0 JGADMO CC[C@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001305652713 1068991217 /nfs/dbraw/zinc/99/12/17/1068991217.db2.gz DZRSDRCNMQAVAI-NOZRDPDXSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652713 1068991226 /nfs/dbraw/zinc/99/12/26/1068991226.db2.gz DZRSDRCNMQAVAI-NOZRDPDXSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652713 1068991234 /nfs/dbraw/zinc/99/12/34/1068991234.db2.gz DZRSDRCNMQAVAI-NOZRDPDXSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@H](c1nnc(N(C)CCc2cnccn2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305656757 1068994956 /nfs/dbraw/zinc/99/49/56/1068994956.db2.gz FUKASMUVZVMLFV-QHCPKHFHSA-N 1 1 463.630 3.400 20 0 JGADMO CC[C@H](c1nnc(N(C)CCc2cnccn2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305656757 1068994965 /nfs/dbraw/zinc/99/49/65/1068994965.db2.gz FUKASMUVZVMLFV-QHCPKHFHSA-N 1 1 463.630 3.400 20 0 JGADMO CC[C@H](c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001305656851 1068995609 /nfs/dbraw/zinc/99/56/09/1068995609.db2.gz GLSZYJFLBHFEFQ-FPOVZHCZSA-N 1 1 470.643 3.150 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCN1CCOCC1)c1ccccc1 ZINC001305658711 1068998236 /nfs/dbraw/zinc/99/82/36/1068998236.db2.gz FXDKRHUWLZDPNE-WPFOTENUSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(F)(F)F)c1ccccc1 ZINC001305658747 1068999190 /nfs/dbraw/zinc/99/91/90/1068999190.db2.gz GDLZUGTXQAVYSO-WMQCIHAUSA-N 1 1 478.563 3.371 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305662264 1069002500 /nfs/dbraw/zinc/00/25/00/1069002500.db2.gz UAZYDOHRBHGLMS-QPTUXGOLSA-N 1 1 482.673 3.282 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCCn1cc[nH+]c1C)c1ccccc1 ZINC001305666145 1069008660 /nfs/dbraw/zinc/00/86/60/1069008660.db2.gz LAPYPGQPWIOZHI-RTWAWAEBSA-N 1 1 456.616 3.039 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H](F)COC)c1ccccc1 ZINC001305668199 1069011382 /nfs/dbraw/zinc/01/13/82/1069011382.db2.gz UOHSOLQEQBVNPW-DNVJHFABSA-N 1 1 458.626 3.021 20 0 JGADMO CC[C@@H](c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001305667885 1069011497 /nfs/dbraw/zinc/01/14/97/1069011497.db2.gz SVFMXIHBYRMKKY-NZQKXSOJSA-N 1 1 488.702 3.022 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001305671689 1069019523 /nfs/dbraw/zinc/01/95/23/1069019523.db2.gz QQYWXJBHHUMINR-HUBRWUETSA-N 1 1 483.686 3.034 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001305671689 1069019541 /nfs/dbraw/zinc/01/95/41/1069019541.db2.gz QQYWXJBHHUMINR-HUBRWUETSA-N 1 1 483.686 3.034 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001305672141 1069020046 /nfs/dbraw/zinc/02/00/46/1069020046.db2.gz KKZSWNTWSKMYTA-XMMPIXPASA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305672141 1069020063 /nfs/dbraw/zinc/02/00/63/1069020063.db2.gz KKZSWNTWSKMYTA-XMMPIXPASA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305672141 1069020078 /nfs/dbraw/zinc/02/00/78/1069020078.db2.gz KKZSWNTWSKMYTA-XMMPIXPASA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001305674462 1069025872 /nfs/dbraw/zinc/02/58/72/1069025872.db2.gz WQIGLBYRCCCUCE-CQOQZXRMSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001305674466 1069026021 /nfs/dbraw/zinc/02/60/21/1069026021.db2.gz WQIGLBYRCCCUCE-WPFOTENUSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@@H](c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001305674800 1069026320 /nfs/dbraw/zinc/02/63/20/1069026320.db2.gz KKQUKBAFJZFQCA-JOCHJYFZSA-N 1 1 459.660 3.319 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001305675684 1069028756 /nfs/dbraw/zinc/02/87/56/1069028756.db2.gz OEZADGAJNIZLEW-REWPJTCUSA-N 1 1 478.645 3.137 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001305676242 1069029220 /nfs/dbraw/zinc/02/92/20/1069029220.db2.gz GFLAIIGZNINFSO-HSZRJFAPSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001305676242 1069029232 /nfs/dbraw/zinc/02/92/32/1069029232.db2.gz GFLAIIGZNINFSO-HSZRJFAPSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1Cc1cnn(C)c1)c1ccccc1 ZINC001305677223 1069032604 /nfs/dbraw/zinc/03/26/04/1069032604.db2.gz MHHWJGBVDSFLED-PKTZIBPZSA-N 1 1 451.619 3.149 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@@H+]1CC=CCC1)c1ccccc1 ZINC001305679577 1069037555 /nfs/dbraw/zinc/03/75/55/1069037555.db2.gz YKTOCNBVPKWXHP-HSZRJFAPSA-N 1 1 450.631 3.387 20 0 JGADMO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)OC ZINC001305689148 1069053434 /nfs/dbraw/zinc/05/34/34/1069053434.db2.gz YDCGYBXWJCFNEX-QGZVFWFLSA-N 1 1 497.482 3.408 20 0 JGADMO CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001305692632 1069061306 /nfs/dbraw/zinc/06/13/06/1069061306.db2.gz IPQURZFGIWDSTR-KNQAVFIVSA-N 1 1 460.667 3.130 20 0 JGADMO CCC(CC)(Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)SC ZINC001305697752 1069074952 /nfs/dbraw/zinc/07/49/52/1069074952.db2.gz ZSEMBUISGUQJBJ-PZJWPPBQSA-N 1 1 464.724 3.387 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001305707756 1069098995 /nfs/dbraw/zinc/09/89/95/1069098995.db2.gz TWYMKKFRFOKAMX-NRFANRHFSA-N 1 1 469.634 3.443 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305708105 1069100013 /nfs/dbraw/zinc/10/00/13/1069100013.db2.gz UXXUNCFWNZCCDO-SJBKTWHCSA-N 1 1 460.667 3.133 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001305708422 1069100482 /nfs/dbraw/zinc/10/04/82/1069100482.db2.gz WQOSCIBMLINGJD-LEWJYISDSA-N 1 1 462.683 3.426 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC1)[NH+]1CCOCC1 ZINC001305708939 1069102586 /nfs/dbraw/zinc/10/25/86/1069102586.db2.gz ZXDQTGCCBGUDDW-FQEVSTJZSA-N 1 1 455.607 3.051 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)N1CCOCC1 ZINC001305715628 1069121168 /nfs/dbraw/zinc/12/11/68/1069121168.db2.gz NGGKDAQJIZIHKH-PMVMPFDFSA-N 1 1 462.683 3.187 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)N1CCOCC1 ZINC001305715628 1069121175 /nfs/dbraw/zinc/12/11/75/1069121175.db2.gz NGGKDAQJIZIHKH-PMVMPFDFSA-N 1 1 462.683 3.187 20 0 JGADMO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001305718008 1069125371 /nfs/dbraw/zinc/12/53/71/1069125371.db2.gz XKTHBAIDZHQOPS-PKTZIBPZSA-N 1 1 456.683 3.181 20 0 JGADMO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001305718009 1069125512 /nfs/dbraw/zinc/12/55/12/1069125512.db2.gz XKTHBAIDZHQOPS-XZOQPEGZSA-N 1 1 456.683 3.181 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305720197 1069128582 /nfs/dbraw/zinc/12/85/82/1069128582.db2.gz KVNGDHKKAFVWAE-JNVSZQSJSA-N 1 1 460.667 3.319 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305720197 1069128585 /nfs/dbraw/zinc/12/85/85/1069128585.db2.gz KVNGDHKKAFVWAE-JNVSZQSJSA-N 1 1 460.667 3.319 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1sccc1C ZINC001305730162 1069150588 /nfs/dbraw/zinc/15/05/88/1069150588.db2.gz FGZKAGXMGDYHNW-UHFFFAOYSA-N 1 1 462.664 3.162 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1sccc1C ZINC001305730162 1069150590 /nfs/dbraw/zinc/15/05/90/1069150590.db2.gz FGZKAGXMGDYHNW-UHFFFAOYSA-N 1 1 462.664 3.162 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305736049 1069157801 /nfs/dbraw/zinc/15/78/01/1069157801.db2.gz MOARKQQNWCLWJM-IBVKSMDESA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001305736666 1069158946 /nfs/dbraw/zinc/15/89/46/1069158946.db2.gz UFFBXZZBFMDWDX-YDHSSHFGSA-N 1 1 486.636 3.296 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738100 1069162860 /nfs/dbraw/zinc/16/28/60/1069162860.db2.gz LCUCGOKOTLYKNV-QZTJIDSGSA-N 1 1 466.634 3.234 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCOc1ccc(F)c(F)c1 ZINC001305738421 1069163726 /nfs/dbraw/zinc/16/37/26/1069163726.db2.gz FHADDOCLLBIZKJ-FUHWJXTLSA-N 1 1 476.572 3.227 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCOc1ccc(F)c(F)c1 ZINC001305738422 1069163804 /nfs/dbraw/zinc/16/38/04/1069163804.db2.gz FHADDOCLLBIZKJ-SJLPKXTDSA-N 1 1 476.572 3.227 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@H](C)c1nccs1 ZINC001305738331 1069163862 /nfs/dbraw/zinc/16/38/62/1069163862.db2.gz CPFRVDVNGDCLTD-BJLQDIEVSA-N 1 1 489.690 3.004 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccc(N(CC)CC)nc1 ZINC001305739160 1069167044 /nfs/dbraw/zinc/16/70/44/1069167044.db2.gz JPONSEIYMNNFSD-SIKLNZKXSA-N 1 1 482.677 3.159 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@H](C)Oc1ccccc1OC ZINC001305739843 1069168696 /nfs/dbraw/zinc/16/86/96/1069168696.db2.gz LRRRREHKSIWPGN-ZVDOUQERSA-N 1 1 484.645 3.346 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H](OC)c1ccccc1 ZINC001305740531 1069170936 /nfs/dbraw/zinc/17/09/36/1069170936.db2.gz OZQJJRJSOQIOBP-COPCDDAFSA-N 1 1 454.619 3.257 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305741667 1069172392 /nfs/dbraw/zinc/17/23/92/1069172392.db2.gz KJVJUHGWNUXGSG-TZRIAGMCSA-N 1 1 460.667 3.177 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305741667 1069172401 /nfs/dbraw/zinc/17/24/01/1069172401.db2.gz KJVJUHGWNUXGSG-TZRIAGMCSA-N 1 1 460.667 3.177 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741534 1069174278 /nfs/dbraw/zinc/17/42/78/1069174278.db2.gz STXVOQOHZVKSQB-PWRODBHTSA-N 1 1 495.672 3.169 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742622 1069177441 /nfs/dbraw/zinc/17/74/41/1069177441.db2.gz WDZIACDHDARORI-IRXDYDNUSA-N 1 1 460.598 3.311 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1F ZINC001305744443 1069183290 /nfs/dbraw/zinc/18/32/90/1069183290.db2.gz XBYVEEBUQJAKFV-HTAPYJJXSA-N 1 1 490.599 3.070 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1cc(F)cc(F)c1 ZINC001305747291 1069191138 /nfs/dbraw/zinc/19/11/38/1069191138.db2.gz GFBQXLYBKFLKQX-VWLOTQADSA-N 1 1 490.599 3.018 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305751716 1069198145 /nfs/dbraw/zinc/19/81/45/1069198145.db2.gz CFPMYGFGLIVYNN-HXUWFJFHSA-N 1 1 484.693 3.350 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305752230 1069199306 /nfs/dbraw/zinc/19/93/06/1069199306.db2.gz OELOELSERSXNRE-RBBKRZOGSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001305754803 1069205661 /nfs/dbraw/zinc/20/56/61/1069205661.db2.gz JQGGJNJCARDYLM-SFHVURJKSA-N 1 1 493.027 3.196 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H]1CCCOC1 ZINC001305754984 1069206334 /nfs/dbraw/zinc/20/63/34/1069206334.db2.gz IMRQQKSXWONDBA-GMAHTHKFSA-N 1 1 468.646 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(F)(F)CC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001305756117 1069209601 /nfs/dbraw/zinc/20/96/01/1069209601.db2.gz RFZSQAWRNBRIPE-UHFFFAOYSA-N 1 1 490.599 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305756241 1069210184 /nfs/dbraw/zinc/21/01/84/1069210184.db2.gz SQMYFGQWRXZFRI-QFIPXVFZSA-N 1 1 484.693 3.430 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001305757934 1069215950 /nfs/dbraw/zinc/21/59/50/1069215950.db2.gz FUPWTDWKLICDED-QFIPXVFZSA-N 1 1 499.660 3.122 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305758979 1069219581 /nfs/dbraw/zinc/21/95/81/1069219581.db2.gz NHRVWRAFZUVZMW-NIYFSFCBSA-N 1 1 486.636 3.165 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1CCC[NH+]1CCN(CC)CC1 ZINC001305760536 1069225138 /nfs/dbraw/zinc/22/51/38/1069225138.db2.gz AKLRHAYGWAKPGG-UHFFFAOYSA-N 1 1 467.662 3.227 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305760907 1069226666 /nfs/dbraw/zinc/22/66/66/1069226666.db2.gz FFSBQCLAOSQOSE-QGZVFWFLSA-N 1 1 454.619 3.251 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)ccc3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305761188 1069227348 /nfs/dbraw/zinc/22/73/48/1069227348.db2.gz HRARCKHRCBWNEI-KDURUIRLSA-N 1 1 486.636 3.398 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305762419 1069230579 /nfs/dbraw/zinc/23/05/79/1069230579.db2.gz YIPBQPXLGGFYMQ-MHPIHPPYSA-N 1 1 492.734 3.418 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305762758 1069231489 /nfs/dbraw/zinc/23/14/89/1069231489.db2.gz HLAOZLMQOUILRY-NRFANRHFSA-N 1 1 482.673 3.303 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305764128 1069233265 /nfs/dbraw/zinc/23/32/65/1069233265.db2.gz JOEWMRPTKNFQAR-SIKLNZKXSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc32)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305765771 1069236625 /nfs/dbraw/zinc/23/66/25/1069236625.db2.gz YTHXXAMTZVXWMA-IBGZPJMESA-N 1 1 454.619 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305765854 1069236786 /nfs/dbraw/zinc/23/67/86/1069236786.db2.gz YOSZBLWTMDAPLD-IFMALSPDSA-N 1 1 462.683 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1CC[NH+]1CCSCC1 ZINC001305774372 1069254103 /nfs/dbraw/zinc/25/41/03/1069254103.db2.gz VTPFFUAYZFNGFS-JOCHJYFZSA-N 1 1 486.686 3.293 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001305776361 1069259684 /nfs/dbraw/zinc/25/96/84/1069259684.db2.gz MFSCLDGFFCEXTE-UHFFFAOYSA-N 1 1 487.615 3.145 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305776306 1069259785 /nfs/dbraw/zinc/25/97/85/1069259785.db2.gz SVDAEOMZGRPHOX-NQIIRXRSSA-N 1 1 456.639 3.003 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305780358 1069270623 /nfs/dbraw/zinc/27/06/23/1069270623.db2.gz CBDOMCFWTLVWSP-WOJBJXKFSA-N 1 1 487.718 3.483 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC1=CCCCC1 ZINC001305780537 1069271606 /nfs/dbraw/zinc/27/16/06/1069271606.db2.gz OANHWCVOLWXPPW-OAQYLSRUSA-N 1 1 458.651 3.246 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC1(c2ccccc2OC)CC1 ZINC001305785299 1069285296 /nfs/dbraw/zinc/28/52/96/1069285296.db2.gz CPWBKBYZEDEVGF-IBGZPJMESA-N 1 1 468.646 3.467 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001305785793 1069287795 /nfs/dbraw/zinc/28/77/95/1069287795.db2.gz LPLLDZMPULZNQO-GAJHUEQPSA-N 1 1 496.578 3.177 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC)[C@@H](C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305786144 1069289102 /nfs/dbraw/zinc/28/91/02/1069289102.db2.gz RCSBTMNBYTZLMU-SIKLNZKXSA-N 1 1 455.651 3.030 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305786418 1069290229 /nfs/dbraw/zinc/29/02/29/1069290229.db2.gz TWNOQJXTJRCWJD-HNNXBMFYSA-N 1 1 467.540 3.189 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1Cc1ccc(OC)c(O)c1 ZINC001305787121 1069292914 /nfs/dbraw/zinc/29/29/14/1069292914.db2.gz GHPSKCJXUBLMPM-UHFFFAOYSA-N 1 1 498.653 3.343 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001305787076 1069292976 /nfs/dbraw/zinc/29/29/76/1069292976.db2.gz DVKFFGCFBWGLNR-UUOWRZLLSA-N 1 1 474.675 3.131 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1ccc(Cl)cc1 ZINC001305787953 1069294838 /nfs/dbraw/zinc/29/48/38/1069294838.db2.gz SCSGEMMSAHPUAH-QGZVFWFLSA-N 1 1 463.026 3.055 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1C[C@H]1C[C@@H]1C ZINC001305787934 1069295769 /nfs/dbraw/zinc/29/57/69/1069295769.db2.gz QILNSMLAWRJGOC-AZUAARDMSA-N 1 1 454.619 3.183 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1ccc(OC)nc1 ZINC001305788220 1069296191 /nfs/dbraw/zinc/29/61/91/1069296191.db2.gz TZUHIHHFLCFDQG-HXUWFJFHSA-N 1 1 491.640 3.359 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccccc1Cl ZINC001305788227 1069296415 /nfs/dbraw/zinc/29/64/15/1069296415.db2.gz ULTFEOFDGWWPRQ-FQEVSTJZSA-N 1 1 475.037 3.199 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCOc1cccc(C)c1 ZINC001305788415 1069296865 /nfs/dbraw/zinc/29/68/65/1069296865.db2.gz LAFIYVAUJWKBOW-NRFANRHFSA-N 1 1 454.619 3.258 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@](C)(O)C1CCCCC1 ZINC001305788883 1069297979 /nfs/dbraw/zinc/29/79/79/1069297979.db2.gz MJPJRWPZHRYPMG-BWKNWUBXSA-N 1 1 460.667 3.202 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1Cc1c(C)noc1C ZINC001305789020 1069298937 /nfs/dbraw/zinc/29/89/37/1069298937.db2.gz ZLRDSPLIRNNWAY-UHFFFAOYSA-N 1 1 471.631 3.233 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccc(OC)cc1F ZINC001305789891 1069300115 /nfs/dbraw/zinc/30/01/15/1069300115.db2.gz SSNMTEMNZPPWOZ-LJQANCHMSA-N 1 1 458.582 3.067 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H](C)c1ncc(C)s1 ZINC001305791087 1069303110 /nfs/dbraw/zinc/30/31/10/1069303110.db2.gz ZEZYXFXFFQJMBZ-LPHOPBHVSA-N 1 1 459.664 3.440 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001305791230 1069303905 /nfs/dbraw/zinc/30/39/05/1069303905.db2.gz ZXXLCJSQLOETBT-NQIIRXRSSA-N 1 1 472.609 3.478 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCC3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305791757 1069304574 /nfs/dbraw/zinc/30/45/74/1069304574.db2.gz MAWJFCCWMSQVQI-FQEVSTJZSA-N 1 1 460.667 3.468 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305793314 1069308859 /nfs/dbraw/zinc/30/88/59/1069308859.db2.gz YLERGTLFOVDBQB-BVFVYWQFSA-N 1 1 492.709 3.337 20 0 JGADMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(=O)Nc3ccc(Br)cc3C)CC2)c1 ZINC000012820899 195149282 /nfs/dbraw/zinc/14/92/82/195149282.db2.gz HOCCZHFAQOCXEW-UHFFFAOYSA-N 1 1 487.442 3.281 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000040421587 563141675 /nfs/dbraw/zinc/14/16/75/563141675.db2.gz QIQZDARWMXJJHK-BJKOFHAPSA-N 1 1 457.590 3.440 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1CN1CC[C@H](CO)C1 ZINC001164417985 718892503 /nfs/dbraw/zinc/89/25/03/718892503.db2.gz MJVHEYIMVOPXBD-CVDCTZTESA-N 1 1 457.663 3.239 20 0 JGADMO CN(C)C(=O)CN1CC[C@]2(CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2c2ccccc2)C1=O ZINC001164634494 719143266 /nfs/dbraw/zinc/14/32/66/719143266.db2.gz VJIOEKVKNNXPOZ-WXVAWEFUSA-N 1 1 496.055 3.242 20 0 JGADMO CN(C)C(=O)CN1CC[C@@]2(C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2c2ccccc2)C1=O ZINC001164633718 719145119 /nfs/dbraw/zinc/14/51/19/719145119.db2.gz SMHDYTVNVARCGI-CPJSRVTESA-N 1 1 455.002 3.376 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC2)C1=O ZINC001164644905 719280347 /nfs/dbraw/zinc/28/03/47/719280347.db2.gz WNRANWZXXKTLQC-UHFFFAOYSA-N 1 1 492.649 3.001 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC2)C1=O ZINC001164644905 719280352 /nfs/dbraw/zinc/28/03/52/719280352.db2.gz WNRANWZXXKTLQC-UHFFFAOYSA-N 1 1 492.649 3.001 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)nc4scc(-c5cccs5)c43)CC2)C1=O ZINC001164644692 719280717 /nfs/dbraw/zinc/28/07/17/719280717.db2.gz QPOHNRFQHWXZEQ-UHFFFAOYSA-N 1 1 471.652 3.488 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)nc4scc(-c5cccs5)c43)CC2)C1=O ZINC001164644692 719280720 /nfs/dbraw/zinc/28/07/20/719280720.db2.gz QPOHNRFQHWXZEQ-UHFFFAOYSA-N 1 1 471.652 3.488 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(C(=O)Nc3nncs3)cc1Cl)CC2 ZINC001164650393 719316208 /nfs/dbraw/zinc/31/62/08/719316208.db2.gz CQSOXEPFVQLPSZ-UHFFFAOYSA-N 1 1 460.995 3.241 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)Oc4cccnc4Cl)C3)C2)cc[nH+]1 ZINC001164665867 719356603 /nfs/dbraw/zinc/35/66/03/719356603.db2.gz ZGNZYVTWNWVMNR-HXUWFJFHSA-N 1 1 468.936 3.139 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164664106 719356855 /nfs/dbraw/zinc/35/68/55/719356855.db2.gz KQJJYQFSFNUDLX-IBGZPJMESA-N 1 1 488.370 3.308 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)c(F)c4)C3)C2)cc[nH+]1 ZINC001164663885 719356979 /nfs/dbraw/zinc/35/69/79/719356979.db2.gz IGBVNAMQPSQBDK-FQEVSTJZSA-N 1 1 470.927 3.398 20 0 JGADMO COc1ccc(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1Cl ZINC001164664158 719357234 /nfs/dbraw/zinc/35/72/34/719357234.db2.gz LCMPRUZMOZNTON-NRFANRHFSA-N 1 1 482.963 3.268 20 0 JGADMO CN(C)c1nccc(N2CCOC[C@@]3(CCCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2)n1 ZINC001164665433 719357252 /nfs/dbraw/zinc/35/72/52/719357252.db2.gz XCRAGCZXNYHNIY-VWLOTQADSA-N 1 1 486.064 3.310 20 0 JGADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1C ZINC001164672636 719519043 /nfs/dbraw/zinc/51/90/43/719519043.db2.gz LYMOBGALXKEOKX-UHFFFAOYSA-N 1 1 487.963 3.419 20 0 JGADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1C ZINC001164672636 719519049 /nfs/dbraw/zinc/51/90/49/719519049.db2.gz LYMOBGALXKEOKX-UHFFFAOYSA-N 1 1 487.963 3.419 20 0 JGADMO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164677124 719554097 /nfs/dbraw/zinc/55/40/97/719554097.db2.gz JOSHTWDPZMJTHP-IBGZPJMESA-N 1 1 495.649 3.310 20 0 JGADMO CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c2c1CC[NH2+]C2 ZINC001164680602 719641931 /nfs/dbraw/zinc/64/19/31/719641931.db2.gz XWRRGZKZSBUIKE-UHFFFAOYSA-N 1 1 497.650 3.164 20 0 JGADMO CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c2c1CC[NH2+]C2 ZINC001164680602 719641934 /nfs/dbraw/zinc/64/19/34/719641934.db2.gz XWRRGZKZSBUIKE-UHFFFAOYSA-N 1 1 497.650 3.164 20 0 JGADMO CCN(C)c1cc(C)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680321 719655001 /nfs/dbraw/zinc/65/50/01/719655001.db2.gz FJDRFOIHNNSSRE-NRFANRHFSA-N 1 1 464.658 3.335 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5[C@H](C3)OCCN5c3ncccn3)n2)CCC4)CC1 ZINC001164690911 719800892 /nfs/dbraw/zinc/80/08/92/719800892.db2.gz CLAXKETUDBCTCF-UXHICEINSA-N 1 1 491.665 3.296 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)n1 ZINC001164691782 719801296 /nfs/dbraw/zinc/80/12/96/719801296.db2.gz JYLNDESDDHJPLR-UXHICEINSA-N 1 1 473.606 3.304 20 0 JGADMO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2O1 ZINC001164700129 719818520 /nfs/dbraw/zinc/81/85/20/719818520.db2.gz IQGTULBNCHUDGU-UIUQJESISA-N 1 1 497.643 3.378 20 0 JGADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC001164707673 719868976 /nfs/dbraw/zinc/86/89/76/719868976.db2.gz VFPNKQRYYODSNU-QYBDOPJKSA-N 1 1 493.633 3.475 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1 ZINC001164700902 719885157 /nfs/dbraw/zinc/88/51/57/719885157.db2.gz MUEAQKBXDYYMNI-CLAROIROSA-N 1 1 450.587 3.146 20 0 JGADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164697046 719896856 /nfs/dbraw/zinc/89/68/56/719896856.db2.gz IZAQACCPRGFOCE-UHFFFAOYSA-N 1 1 461.975 3.331 20 0 JGADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C1=O ZINC001164696593 719897205 /nfs/dbraw/zinc/89/72/05/719897205.db2.gz GARMLZBNVGFZOW-UHFFFAOYSA-N 1 1 462.019 3.427 20 0 JGADMO O=S(=O)(c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1)N1CCCCC1 ZINC001164697729 719897933 /nfs/dbraw/zinc/89/79/33/719897933.db2.gz OOWLAMCXAIOGQM-UHFFFAOYSA-N 1 1 476.668 3.189 20 0 JGADMO O=S(=O)(c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2)N1CCCCC1 ZINC001164705419 719900076 /nfs/dbraw/zinc/90/00/76/719900076.db2.gz BQCKRHGEICNBPJ-UHFFFAOYSA-N 1 1 476.668 3.189 20 0 JGADMO O=S(=O)(c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2)N1CCCCC1 ZINC001164705419 719900090 /nfs/dbraw/zinc/90/00/90/719900090.db2.gz BQCKRHGEICNBPJ-UHFFFAOYSA-N 1 1 476.668 3.189 20 0 JGADMO Clc1cc(O[C@H]2CCOC2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707476 719907211 /nfs/dbraw/zinc/90/72/11/719907211.db2.gz QXWPIBADDSMLOY-INIZCTEOSA-N 1 1 450.992 3.231 20 0 JGADMO Clc1cc(O[C@H]2CCOC2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707476 719907217 /nfs/dbraw/zinc/90/72/17/719907217.db2.gz QXWPIBADDSMLOY-INIZCTEOSA-N 1 1 450.992 3.231 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(cccc3C(=O)OC)n1)CC2 ZINC001164719043 720109243 /nfs/dbraw/zinc/10/92/43/720109243.db2.gz UXUKSJGHIJHSOJ-HXUWFJFHSA-N 1 1 461.566 3.319 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164714180 720115007 /nfs/dbraw/zinc/11/50/07/720115007.db2.gz AJVRSXNHSVZSID-QFIPXVFZSA-N 1 1 486.620 3.265 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)C2 ZINC001164814954 720117550 /nfs/dbraw/zinc/11/75/50/720117550.db2.gz USNSBCZLXIUNKA-DFBJGRDBSA-N 1 1 455.603 3.163 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)CC2 ZINC001164714909 720120535 /nfs/dbraw/zinc/12/05/35/720120535.db2.gz FCQNLLJQLOMWFH-FQEVSTJZSA-N 1 1 474.005 3.271 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cnccc3cc1C(=O)OC)CC2 ZINC001164719080 720122140 /nfs/dbraw/zinc/12/21/40/720122140.db2.gz VLZCUJYEWQJHMO-NRFANRHFSA-N 1 1 461.566 3.319 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(Cl)c(C(=O)OC)c1OC)CC2 ZINC001164711275 720135016 /nfs/dbraw/zinc/13/50/16/720135016.db2.gz GYOGJLLNUCBZPT-GOSISDBHSA-N 1 1 474.989 3.433 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)CC2 ZINC001164712091 720137410 /nfs/dbraw/zinc/13/74/10/720137410.db2.gz KMIWOAYSSDBZIN-LJQANCHMSA-N 1 1 485.032 3.397 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164715013 720155986 /nfs/dbraw/zinc/15/59/86/720155986.db2.gz RZVBVCPCUXFOGI-PKOBYXMFSA-N 1 1 474.005 3.309 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164712465 720158342 /nfs/dbraw/zinc/15/83/42/720158342.db2.gz GWRXWPGITVBYHN-QGZVFWFLSA-N 1 1 453.921 3.457 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]1)C2 ZINC001164817897 720158972 /nfs/dbraw/zinc/15/89/72/720158972.db2.gz QRARKMFCQGGJGA-DWACAAAGSA-N 1 1 476.621 3.431 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@@]34CCN(C)C4=O)CC2)nc1 ZINC001164716484 720161759 /nfs/dbraw/zinc/16/17/59/720161759.db2.gz ZSVZJDXCRDDOBX-NEKDWFFYSA-N 1 1 496.700 3.451 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)C2 ZINC001164813748 720182209 /nfs/dbraw/zinc/18/22/09/720182209.db2.gz DWOWUVPJFXWXPE-UUOWRZLLSA-N 1 1 492.592 3.345 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)C2 ZINC001164813747 720182364 /nfs/dbraw/zinc/18/23/64/720182364.db2.gz DWOWUVPJFXWXPE-MHECFPHRSA-N 1 1 492.592 3.345 20 0 JGADMO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)C2 ZINC001164820145 720183556 /nfs/dbraw/zinc/18/35/56/720183556.db2.gz ZRZYZFQBOAFWOL-NTKDMRAZSA-N 1 1 474.602 3.206 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)C2 ZINC001164820145 720183563 /nfs/dbraw/zinc/18/35/63/720183563.db2.gz ZRZYZFQBOAFWOL-NTKDMRAZSA-N 1 1 474.602 3.206 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(OC)c(OC)c3OC)nn1)C2 ZINC001164819176 720189329 /nfs/dbraw/zinc/18/93/29/720189329.db2.gz WJVVZSBXCYLCIL-BCHFMIIMSA-N 1 1 468.598 3.354 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)CCC2 ZINC001164813226 720216070 /nfs/dbraw/zinc/21/60/70/720216070.db2.gz NPEINQPZKWWXOV-UHFFFAOYSA-N 1 1 495.027 3.472 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CCC2 ZINC001164812911 720227365 /nfs/dbraw/zinc/22/73/65/720227365.db2.gz KGGIWWRTGLVDEC-UHFFFAOYSA-N 1 1 461.010 3.071 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CCC2 ZINC001164813939 720229081 /nfs/dbraw/zinc/22/90/81/720229081.db2.gz SIUDUIXEVFOQSY-UHFFFAOYSA-N 1 1 473.940 3.264 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3nc1N1CCCCC1)CCC2 ZINC001164812318 720234444 /nfs/dbraw/zinc/23/44/44/720234444.db2.gz FEDVTSBIIJVZKX-UHFFFAOYSA-N 1 1 461.614 3.427 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CCc3ccccc31)CCC2 ZINC001164813338 720236481 /nfs/dbraw/zinc/23/64/81/720236481.db2.gz NAVKSOOZKYWKNY-UHFFFAOYSA-N 1 1 472.593 3.092 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CCC2 ZINC001164813261 720239181 /nfs/dbraw/zinc/23/91/81/720239181.db2.gz MDOIVDLKDQRKLF-UHFFFAOYSA-N 1 1 473.021 3.215 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4ccc(F)cc4)c4ccccc43)C2)C1 ZINC001164721275 720287950 /nfs/dbraw/zinc/28/79/50/720287950.db2.gz IWBYUHFIKHOSBJ-SANMLTNESA-N 1 1 463.557 3.101 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4ccc(F)cc4)c4ccccc43)C2)C1 ZINC001164721275 720287957 /nfs/dbraw/zinc/28/79/57/720287957.db2.gz IWBYUHFIKHOSBJ-SANMLTNESA-N 1 1 463.557 3.101 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(COC)nc4scc(-c5ccccc5)c43)C2)C1 ZINC001164722740 720296662 /nfs/dbraw/zinc/29/66/62/720296662.db2.gz RBFSZYGTSGMERS-SANMLTNESA-N 1 1 495.649 3.170 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(COC)nc4scc(-c5ccccc5)c43)C2)C1 ZINC001164722740 720296672 /nfs/dbraw/zinc/29/66/72/720296672.db2.gz RBFSZYGTSGMERS-SANMLTNESA-N 1 1 495.649 3.170 20 0 JGADMO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164722352 720313929 /nfs/dbraw/zinc/31/39/29/720313929.db2.gz KPKWOQNJPVKZAC-DEOSSOPVSA-N 1 1 459.598 3.052 20 0 JGADMO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164722352 720313936 /nfs/dbraw/zinc/31/39/36/720313936.db2.gz KPKWOQNJPVKZAC-DEOSSOPVSA-N 1 1 459.598 3.052 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](COCC(=O)N(C)C)CC[C@@H]32)n1 ZINC001164725564 720323333 /nfs/dbraw/zinc/32/33/33/720323333.db2.gz NRGOQNUZSGQJPP-UFYCRDLUSA-N 1 1 489.686 3.381 20 0 JGADMO Cc1cc2c(ncnc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1S(=O)(=O)c1ccccc1 ZINC001164722594 720353390 /nfs/dbraw/zinc/35/33/90/720353390.db2.gz FMLJACSPBMHTSG-GOTSBHOMSA-N 1 1 474.590 3.225 20 0 JGADMO CC(=O)N(C)Cc1nnc2n1CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164828544 720414104 /nfs/dbraw/zinc/41/41/04/720414104.db2.gz XCTOMTGUDFOWQD-UHFFFAOYSA-N 1 1 494.669 3.146 20 0 JGADMO CC(=O)N(C)Cc1nnc2n1CCCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164822482 720414397 /nfs/dbraw/zinc/41/43/97/720414397.db2.gz CGLALXAIDGPXIJ-UHFFFAOYSA-N 1 1 494.669 3.146 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1CN1CC[C@H](CO)C1 ZINC001164729289 720416560 /nfs/dbraw/zinc/41/65/60/720416560.db2.gz GQPCXUIEVLGNNV-GPUOULLFSA-N 1 1 492.668 3.129 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1CN1CC[C@H](CO)C1 ZINC001164729289 720416569 /nfs/dbraw/zinc/41/65/69/720416569.db2.gz GQPCXUIEVLGNNV-GPUOULLFSA-N 1 1 492.668 3.129 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@H](O)[C@H]2Cc2ccccc2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164835515 720491234 /nfs/dbraw/zinc/49/12/34/720491234.db2.gz YXXPHGWDCBQCQN-HUVFLSCGSA-N 1 1 466.626 3.063 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164839389 720511214 /nfs/dbraw/zinc/51/12/14/720511214.db2.gz TVMQKIQRUDHAMF-XYJFISCASA-N 1 1 482.963 3.426 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2s1 ZINC001164839548 720572472 /nfs/dbraw/zinc/57/24/72/720572472.db2.gz QMJBSQIBVMGBNT-ZIFCJYIRSA-N 1 1 454.600 3.442 20 0 JGADMO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC(C)=O ZINC001164835413 720575086 /nfs/dbraw/zinc/57/50/86/720575086.db2.gz HDFFAMBGFNMBQS-SXWKCWPCSA-N 1 1 492.580 3.055 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836228 720607034 /nfs/dbraw/zinc/60/70/34/720607034.db2.gz FJQPMVPOMXONFK-QNWVGRARSA-N 1 1 460.582 3.489 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@@H]21 ZINC001164844148 720607157 /nfs/dbraw/zinc/60/71/57/720607157.db2.gz ZCICWALFWVJHLE-ILXRZTDVSA-N 1 1 450.925 3.077 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164838260 720611585 /nfs/dbraw/zinc/61/15/85/720611585.db2.gz KJRAKAZYWIURQE-RZUBCFFCSA-N 1 1 474.675 3.123 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1c(Cl)nc(Cl)nc1C(N)=O)CC2 ZINC001164843649 720697050 /nfs/dbraw/zinc/69/70/50/720697050.db2.gz PTLUFPLIGDVDKI-OAHLLOKOSA-N 1 1 450.370 3.142 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164843358 720700867 /nfs/dbraw/zinc/70/08/67/720700867.db2.gz OLKPBDBWXHTZBS-JOCHJYFZSA-N 1 1 470.639 3.126 20 0 JGADMO CCc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCOCC2)n1 ZINC001164843850 720701077 /nfs/dbraw/zinc/70/10/77/720701077.db2.gz RJVSDTZNDDEYPM-HSZRJFAPSA-N 1 1 451.615 3.136 20 0 JGADMO CCc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCOCC2)n1 ZINC001164843850 720701087 /nfs/dbraw/zinc/70/10/87/720701087.db2.gz RJVSDTZNDDEYPM-HSZRJFAPSA-N 1 1 451.615 3.136 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839819 720711364 /nfs/dbraw/zinc/71/13/64/720711364.db2.gz NHVHJJUPTPSHHB-QFIPXVFZSA-N 1 1 472.655 3.372 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2 ZINC001164841777 720711543 /nfs/dbraw/zinc/71/15/43/720711543.db2.gz WXIPIBSRKJPXIE-QFIPXVFZSA-N 1 1 470.639 3.126 20 0 JGADMO c1cncc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164739323 720764835 /nfs/dbraw/zinc/76/48/35/720764835.db2.gz IHLSNXRTBYWONA-MSOLQXFVSA-N 1 1 471.590 3.374 20 0 JGADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164741057 720764920 /nfs/dbraw/zinc/76/49/20/720764920.db2.gz LYNHOGSCMXHTOB-VQTJNVASSA-N 1 1 450.930 3.119 20 0 JGADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739895 720769616 /nfs/dbraw/zinc/76/96/16/720769616.db2.gz JLSOVBXTIFHRQC-QZTJIDSGSA-N 1 1 458.900 3.474 20 0 JGADMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164748736 720799340 /nfs/dbraw/zinc/79/93/40/720799340.db2.gz RFBPSQHIYVDWAC-SFTDATJTSA-N 1 1 450.974 3.470 20 0 JGADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164751952 720803452 /nfs/dbraw/zinc/80/34/52/720803452.db2.gz YHSCPGYXRDICBX-YJBOKZPZSA-N 1 1 454.918 3.063 20 0 JGADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164749317 720806186 /nfs/dbraw/zinc/80/61/86/720806186.db2.gz UDZXIBGNYMYKKR-FUHWJXTLSA-N 1 1 488.926 3.482 20 0 JGADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164749317 720806191 /nfs/dbraw/zinc/80/61/91/720806191.db2.gz UDZXIBGNYMYKKR-FUHWJXTLSA-N 1 1 488.926 3.482 20 0 JGADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164749322 720806234 /nfs/dbraw/zinc/80/62/34/720806234.db2.gz UDZXIBGNYMYKKR-WMZOPIPTSA-N 1 1 488.926 3.482 20 0 JGADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164749322 720806236 /nfs/dbraw/zinc/80/62/36/720806236.db2.gz UDZXIBGNYMYKKR-WMZOPIPTSA-N 1 1 488.926 3.482 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164749236 720809708 /nfs/dbraw/zinc/80/97/08/720809708.db2.gz SLSUKMSPCUAROI-IPMKNSEASA-N 1 1 481.626 3.147 20 0 JGADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745482 720813422 /nfs/dbraw/zinc/81/34/22/720813422.db2.gz KPEOFWRTQXXSRB-OWCLPIDISA-N 1 1 469.993 3.368 20 0 JGADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745481 720813519 /nfs/dbraw/zinc/81/35/19/720813519.db2.gz KPEOFWRTQXXSRB-HRCADAONSA-N 1 1 469.993 3.368 20 0 JGADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749249 720813876 /nfs/dbraw/zinc/81/38/76/720813876.db2.gz SOBMLDBQESAOFY-QLFBSQMISA-N 1 1 458.344 3.299 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1)N1CCCCC1 ZINC001164742185 720817553 /nfs/dbraw/zinc/81/75/53/720817553.db2.gz QBFVOFJEYFNMCY-YPAWHYETSA-N 1 1 484.048 3.332 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164746214 720819078 /nfs/dbraw/zinc/81/90/78/720819078.db2.gz YLQBSWRVPGHVSH-SOLBZPMBSA-N 1 1 480.947 3.037 20 0 JGADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745103 720821229 /nfs/dbraw/zinc/82/12/29/720821229.db2.gz WFJOLEOVCNFSGR-GBESFXJTSA-N 1 1 458.994 3.191 20 0 JGADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745104 720821265 /nfs/dbraw/zinc/82/12/65/720821265.db2.gz WFJOLEOVCNFSGR-GUDVDZBRSA-N 1 1 458.994 3.191 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741837 720824032 /nfs/dbraw/zinc/82/40/32/720824032.db2.gz ONUXEDZTTINTPE-FRQCXROJSA-N 1 1 480.947 3.037 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164743219 720826069 /nfs/dbraw/zinc/82/60/69/720826069.db2.gz REKCYSSDKHHPPP-GPMSIDNRSA-N 1 1 480.947 3.037 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745621 720826356 /nfs/dbraw/zinc/82/63/56/720826356.db2.gz XIBFXZFMGJPNQD-WAOWUJCRSA-N 1 1 496.015 3.431 20 0 JGADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164740139 720827257 /nfs/dbraw/zinc/82/72/57/720827257.db2.gz JDPRMYWUMGLQTD-CMKODMSKSA-N 1 1 458.994 3.191 20 0 JGADMO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749331 720832764 /nfs/dbraw/zinc/83/27/64/720832764.db2.gz VPUUAUPPNLQBBJ-JBRSBNLGSA-N 1 1 468.609 3.451 20 0 JGADMO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164746557 720832874 /nfs/dbraw/zinc/83/28/74/720832874.db2.gz OLOPAYCRLOIJCF-JENIJYKNSA-N 1 1 453.978 3.263 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739947 720833663 /nfs/dbraw/zinc/83/36/63/720833663.db2.gz BBRWYTOVJHZRHX-QHAWAJNXSA-N 1 1 472.037 3.188 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c(C)c(C)c-2n1 ZINC001164741134 720835576 /nfs/dbraw/zinc/83/55/76/720835576.db2.gz DDHBWHUWRNMAPC-ZRCGQRJVSA-N 1 1 477.613 3.327 20 0 JGADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742503 720842192 /nfs/dbraw/zinc/84/21/92/720842192.db2.gz HCKIXULFETXDSH-KVSKMBFKSA-N 1 1 474.947 3.194 20 0 JGADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747808 720842423 /nfs/dbraw/zinc/84/24/23/720842423.db2.gz RSAVUMMDVCYAKI-BZUAXINKSA-N 1 1 472.371 3.385 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1)C1CC1 ZINC001164746603 720844310 /nfs/dbraw/zinc/84/43/10/720844310.db2.gz PEAAOEZRUVQPPM-NAVOZUGXSA-N 1 1 464.614 3.109 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743143 720846343 /nfs/dbraw/zinc/84/63/43/720846343.db2.gz IXPOJGJUQGBJJZ-GPMSIDNRSA-N 1 1 480.947 3.037 20 0 JGADMO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751961 720850443 /nfs/dbraw/zinc/85/04/43/720850443.db2.gz ZYHPOTVUYYHCQR-BFYDXBDKSA-N 1 1 462.936 3.127 20 0 JGADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c(OC)c1 ZINC001164753052 720852436 /nfs/dbraw/zinc/85/24/36/720852436.db2.gz VOYOTSZQPUOSKZ-MZLICYQSSA-N 1 1 475.597 3.132 20 0 JGADMO COC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc2c1OC ZINC001164746192 720853745 /nfs/dbraw/zinc/85/37/45/720853745.db2.gz GHUIUNKPTSIFTE-XQBPLPMBSA-N 1 1 476.581 3.001 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC[C@@H]2C1 ZINC001164855484 720869255 /nfs/dbraw/zinc/86/92/55/720869255.db2.gz MYIYTLVQUQRDLQ-RPWUZVMVSA-N 1 1 453.583 3.358 20 0 JGADMO COc1cnc(SC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752997 720873342 /nfs/dbraw/zinc/87/33/42/720873342.db2.gz ODFWWHJDRPFOTF-YKSBVNFPSA-N 1 1 455.628 3.357 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164853368 720875629 /nfs/dbraw/zinc/87/56/29/720875629.db2.gz CCHFHNVCCCAWNM-PZJWPPBQSA-N 1 1 485.698 3.339 20 0 JGADMO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753837 720880792 /nfs/dbraw/zinc/88/07/92/720880792.db2.gz QDVCIUWAPHDTIO-HOYKHHGWSA-N 1 1 473.980 3.123 20 0 JGADMO COC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164749020 720881559 /nfs/dbraw/zinc/88/15/59/720881559.db2.gz GCTMZCPXEYLLDP-OZXSUGGESA-N 1 1 450.583 3.327 20 0 JGADMO Cc1nc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2[nH]1 ZINC001164753833 720882080 /nfs/dbraw/zinc/88/20/80/720882080.db2.gz HHTNKUNAHXESSX-CYFREDJKSA-N 1 1 468.005 3.465 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164753833 720882081 /nfs/dbraw/zinc/88/20/81/720882081.db2.gz HHTNKUNAHXESSX-CYFREDJKSA-N 1 1 468.005 3.465 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164753833 720882084 /nfs/dbraw/zinc/88/20/84/720882084.db2.gz HHTNKUNAHXESSX-CYFREDJKSA-N 1 1 468.005 3.465 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164863068 720883220 /nfs/dbraw/zinc/88/32/20/720883220.db2.gz SMVAHCHKZPIDBI-XLIONFOSSA-N 1 1 480.638 3.201 20 0 JGADMO COC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164754998 720885686 /nfs/dbraw/zinc/88/56/86/720885686.db2.gz KCINBLBUUCPDCT-GJZUVCINSA-N 1 1 450.583 3.327 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164758511 720886962 /nfs/dbraw/zinc/88/69/62/720886962.db2.gz ZACDYUJIXVLETD-ATIYNZHBSA-N 1 1 465.598 3.112 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164758512 720887056 /nfs/dbraw/zinc/88/70/56/720887056.db2.gz ZACDYUJIXVLETD-BKMJKUGQSA-N 1 1 465.598 3.112 20 0 JGADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756858 720890340 /nfs/dbraw/zinc/89/03/40/720890340.db2.gz RSDNOUHVTJNNSQ-LVXARBLLSA-N 1 1 468.573 3.466 20 0 JGADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756855 720890396 /nfs/dbraw/zinc/89/03/96/720890396.db2.gz RSDNOUHVTJNNSQ-HFZDXXHNSA-N 1 1 468.573 3.466 20 0 JGADMO COC(=O)c1nc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756238 720891941 /nfs/dbraw/zinc/89/19/41/720891941.db2.gz OOKPIQAXYGJDAM-YADARESESA-N 1 1 471.989 3.067 20 0 JGADMO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164758425 720892091 /nfs/dbraw/zinc/89/20/91/720892091.db2.gz XYDFSSHFGYEPNP-KAWPREARSA-N 1 1 462.598 3.072 20 0 JGADMO O=C(NC1CC1)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753489 720893041 /nfs/dbraw/zinc/89/30/41/720893041.db2.gz HCXIYBCOYLOCIL-KCWPFWIISA-N 1 1 461.610 3.124 20 0 JGADMO COC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C ZINC001164753939 720895421 /nfs/dbraw/zinc/89/54/21/720895421.db2.gz HVSMXWPTVXKWKR-GJZUVCINSA-N 1 1 450.583 3.327 20 0 JGADMO O=C(c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1)N1CCCC1 ZINC001164758855 720898926 /nfs/dbraw/zinc/89/89/26/720898926.db2.gz ZXDACSSTLYXRII-LSYYVWMOSA-N 1 1 475.637 3.468 20 0 JGADMO COC(=O)c1cc2c[nH]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc-2n1 ZINC001164754549 720901753 /nfs/dbraw/zinc/90/17/53/720901753.db2.gz JIWOFJBJFCWZMA-AMGIVPHBSA-N 1 1 475.593 3.500 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C3)C[C@@H](NC(=O)c3ccccc3)CCO4)c2)CC1 ZINC001164863688 720901892 /nfs/dbraw/zinc/90/18/92/720901892.db2.gz YRVJCAGULGTQIX-HFZDXXHNSA-N 1 1 450.583 3.113 20 0 JGADMO COC(=O)CSc1cccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758482 720902441 /nfs/dbraw/zinc/90/24/41/720902441.db2.gz YLQXQHABSSWLLR-NVQXNPDNSA-N 1 1 482.650 3.497 20 0 JGADMO COC(=O)CSc1cccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758481 720902753 /nfs/dbraw/zinc/90/27/53/720902753.db2.gz YLQXQHABSSWLLR-GJZUVCINSA-N 1 1 482.650 3.497 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747375 720905011 /nfs/dbraw/zinc/90/50/11/720905011.db2.gz CYBRVBFOTMMOBP-NBGIEHNGSA-N 1 1 486.016 3.457 20 0 JGADMO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749658 720906283 /nfs/dbraw/zinc/90/62/83/720906283.db2.gz IINUOTBVKPKVCQ-GBXCKJPGSA-N 1 1 491.057 3.289 20 0 JGADMO CCCNC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164751368 720912050 /nfs/dbraw/zinc/91/20/50/720912050.db2.gz LSROJXOKJLNILM-SQHAQQRYSA-N 1 1 463.626 3.372 20 0 JGADMO c1nc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1C1CC1 ZINC001164755194 720915158 /nfs/dbraw/zinc/91/51/58/720915158.db2.gz ZPFADBNCJLJFFW-RLWLMLJZSA-N 1 1 459.598 3.311 20 0 JGADMO COC(=O)c1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747437 720922709 /nfs/dbraw/zinc/92/27/09/720922709.db2.gz DFDFHNRFHODSBI-DVECYGJZSA-N 1 1 471.989 3.067 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc1Cl ZINC001164861479 720924509 /nfs/dbraw/zinc/92/45/09/720924509.db2.gz SZFVQBSYBZNKAQ-CYBMUJFWSA-N 1 1 456.925 3.470 20 0 JGADMO CCOC(=O)c1cnc(CC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749819 720927239 /nfs/dbraw/zinc/92/72/39/720927239.db2.gz ILQFENHMJQIHQY-AJTFRIOCSA-N 1 1 479.625 3.366 20 0 JGADMO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]12 ZINC001164756201 720996714 /nfs/dbraw/zinc/99/67/14/720996714.db2.gz GHTMTJDJWSBSMT-RLLQIKCJSA-N 1 1 498.697 3.278 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4CO[C@H](CNC(=O)N(C)C)[C@H]4C3)c2c1C ZINC001164756167 720997565 /nfs/dbraw/zinc/99/75/65/720997565.db2.gz FYCBWKSHWLHHBO-HSALFYBXSA-N 1 1 486.686 3.407 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)[C@H]2C ZINC001164859491 721008841 /nfs/dbraw/zinc/00/88/41/721008841.db2.gz IPSHIMBXIAOJAA-ZDUSSCGKSA-N 1 1 460.995 3.457 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)[C@@H]2C ZINC001164862380 721024249 /nfs/dbraw/zinc/02/42/49/721024249.db2.gz PZYXKRBAPSSBEU-CYBMUJFWSA-N 1 1 461.966 3.301 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861529 721033518 /nfs/dbraw/zinc/03/35/18/721033518.db2.gz IKVSDFJXPWQMRM-UHFFFAOYSA-N 1 1 456.888 3.241 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)n1 ZINC001164767653 721037946 /nfs/dbraw/zinc/03/79/46/721037946.db2.gz SGYZYTJXLDUDMN-MOPGFXCFSA-N 1 1 467.643 3.377 20 0 JGADMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cn1 ZINC001164762967 721037985 /nfs/dbraw/zinc/03/79/85/721037985.db2.gz JJWWRMYYAGFWNI-UXHICEINSA-N 1 1 491.665 3.393 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164866085 721044182 /nfs/dbraw/zinc/04/41/82/721044182.db2.gz CNFLHMSIYKROFA-MSOLQXFVSA-N 1 1 453.568 3.051 20 0 JGADMO CCn1nnc2c1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)[C@H]2COCc1ccccc1 ZINC001164774931 721049451 /nfs/dbraw/zinc/04/94/51/721049451.db2.gz ZISHTOFDQXXZNU-DEOSSOPVSA-N 1 1 462.598 3.487 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866905 721061383 /nfs/dbraw/zinc/06/13/83/721061383.db2.gz GXEQOGOQGAIFLA-ZWKOTPCHSA-N 1 1 464.948 3.150 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164867773 721062250 /nfs/dbraw/zinc/06/22/50/721062250.db2.gz KILKPOOYEGGKSL-SFTDATJTSA-N 1 1 455.990 3.236 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164867975 721073960 /nfs/dbraw/zinc/07/39/60/721073960.db2.gz LOAMFIDFCFDLFB-IAGOWNOFSA-N 1 1 455.946 3.175 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866413 721082480 /nfs/dbraw/zinc/08/24/80/721082480.db2.gz TZWNZQDOWWZURN-MSOLQXFVSA-N 1 1 467.957 3.335 20 0 JGADMO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864550 721085684 /nfs/dbraw/zinc/08/56/84/721085684.db2.gz GFGAWRQMTCISEB-OTWHNJEPSA-N 1 1 469.977 3.054 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)CC5)C[C@@H]3C2)cn1 ZINC001164761094 721089379 /nfs/dbraw/zinc/08/93/79/721089379.db2.gz AXGYMSNWCGBRRZ-VXKWHMMOSA-N 1 1 478.044 3.380 20 0 JGADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865540 721098217 /nfs/dbraw/zinc/09/82/17/721098217.db2.gz MMMDMNDMMGBNRZ-PKTZIBPZSA-N 1 1 458.541 3.493 20 0 JGADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164864916 721099358 /nfs/dbraw/zinc/09/93/58/721099358.db2.gz HJDKBMLFWOQGTB-PKTZIBPZSA-N 1 1 458.541 3.493 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164773634 721100368 /nfs/dbraw/zinc/10/03/68/721100368.db2.gz XWZBEMDHUVKGJT-PMACEKPBSA-N 1 1 462.989 3.220 20 0 JGADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864698 721108325 /nfs/dbraw/zinc/10/83/25/721108325.db2.gz GOXWOWRLFRVPMZ-MJGOQNOKSA-N 1 1 456.909 3.331 20 0 JGADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164866354 721111436 /nfs/dbraw/zinc/11/14/36/721111436.db2.gz SOJUNAUDRZQXHO-HKUYNNGSSA-N 1 1 456.909 3.331 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164880930 721132685 /nfs/dbraw/zinc/13/26/85/721132685.db2.gz XWEAZKIZXXCYGA-SJORKVTESA-N 1 1 466.916 3.331 20 0 JGADMO O=C(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CCc2ccccc21 ZINC001164872227 721140660 /nfs/dbraw/zinc/14/06/60/721140660.db2.gz GZLHBPBNPNXCJC-XZOQPEGZSA-N 1 1 455.562 3.159 20 0 JGADMO O=C(NC1CCCC1)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164876995 721151248 /nfs/dbraw/zinc/15/12/48/721151248.db2.gz NMFVIKIDGAZKGI-RTWAWAEBSA-N 1 1 455.990 3.282 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879523 721181527 /nfs/dbraw/zinc/18/15/27/721181527.db2.gz TWJBITIKCHOMRO-DLBZAZTESA-N 1 1 467.904 3.247 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)n1 ZINC001164774469 721185710 /nfs/dbraw/zinc/18/57/10/721185710.db2.gz ZPUFIYIWQWRSJX-HOTGVXAUSA-N 1 1 453.921 3.148 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)n1 ZINC001164774467 721186154 /nfs/dbraw/zinc/18/61/54/721186154.db2.gz ZPUFIYIWQWRSJX-CVEARBPZSA-N 1 1 453.921 3.148 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164773365 721194755 /nfs/dbraw/zinc/19/47/55/721194755.db2.gz WPVSESIEEGEPIL-ZWKOTPCHSA-N 1 1 454.600 3.177 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C[C@H]3C2)cn1 ZINC001164761144 721248771 /nfs/dbraw/zinc/24/87/71/721248771.db2.gz HOZHDYVYBHHYHP-UONOGXRCSA-N 1 1 453.950 3.062 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)n1 ZINC001164767771 721264361 /nfs/dbraw/zinc/26/43/61/721264361.db2.gz SRXKIOQLDVGTQY-MSOLQXFVSA-N 1 1 453.616 3.034 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCCN(c4cnccn4)[C@@H]3C2)n1 ZINC001164764639 721265603 /nfs/dbraw/zinc/26/56/03/721265603.db2.gz HRAMAFOFEDRVOJ-WOJBJXKFSA-N 1 1 473.606 3.304 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCn4c(CNC(=O)c5ccno5)cnc4C3)c2c1C ZINC001164764991 721269254 /nfs/dbraw/zinc/26/92/54/721269254.db2.gz INSXZTLSLFSQGJ-UHFFFAOYSA-N 1 1 492.609 3.039 20 0 JGADMO c1ncn2c1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C[C@H](COc1cccnc1)C2 ZINC001164767110 721273183 /nfs/dbraw/zinc/27/31/83/721273183.db2.gz GKMGUXSOPADBLY-QFIPXVFZSA-N 1 1 467.577 3.342 20 0 JGADMO c1ncn2c1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C[C@H](COc1cccnc1)C2 ZINC001164767110 721273187 /nfs/dbraw/zinc/27/31/87/721273187.db2.gz GKMGUXSOPADBLY-QFIPXVFZSA-N 1 1 467.577 3.342 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC2)C1 ZINC001164874324 721281010 /nfs/dbraw/zinc/28/10/10/721281010.db2.gz PYUSMPOSSCOBIK-UHFFFAOYSA-N 1 1 494.636 3.191 20 0 JGADMO Cc1ccc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]32)nn1 ZINC001164775714 721312417 /nfs/dbraw/zinc/31/24/17/721312417.db2.gz IQHVHBVTYKTPPF-WOJBJXKFSA-N 1 1 491.665 3.358 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCCN(c4ccc(C)nn4)[C@@H]3C2)n1 ZINC001164777712 721312632 /nfs/dbraw/zinc/31/26/32/721312632.db2.gz UPPUUMXEVFOULU-RTBURBONSA-N 1 1 467.643 3.342 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)nc1 ZINC001164881783 721338921 /nfs/dbraw/zinc/33/89/21/721338921.db2.gz AVKSRLOBHAOEOF-JQYIIUTOSA-N 1 1 456.631 3.110 20 0 JGADMO COc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1OC ZINC001164779697 721339782 /nfs/dbraw/zinc/33/97/82/721339782.db2.gz UXPSPPIGWTYZRM-RUZDIDTESA-N 1 1 467.570 3.371 20 0 JGADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164782314 721355808 /nfs/dbraw/zinc/35/58/08/721355808.db2.gz NELAOWOJJMJNPU-QHCPKHFHSA-N 1 1 488.976 3.122 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C2)C1 ZINC001164780710 721360384 /nfs/dbraw/zinc/36/03/84/721360384.db2.gz GRSLJUQAXYUJQS-AREMUKBSSA-N 1 1 485.629 3.282 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C2)C1 ZINC001164780710 721360388 /nfs/dbraw/zinc/36/03/88/721360388.db2.gz GRSLJUQAXYUJQS-AREMUKBSSA-N 1 1 485.629 3.282 20 0 JGADMO COC(=O)/C=C\c1cc(C)cnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780069 721361505 /nfs/dbraw/zinc/36/15/05/721361505.db2.gz CWTXZCSHIGQYDX-CVUHLLMESA-N 1 1 454.571 3.300 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N4CCC[C@H](C)C4)ncn3)C2)C1 ZINC001164787021 721370862 /nfs/dbraw/zinc/37/08/62/721370862.db2.gz XHQDWPKNQHUGJI-UQBPGWFLSA-N 1 1 454.619 3.437 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N4CCC[C@H](C)C4)ncn3)C2)C1 ZINC001164787021 721370867 /nfs/dbraw/zinc/37/08/67/721370867.db2.gz XHQDWPKNQHUGJI-UQBPGWFLSA-N 1 1 454.619 3.437 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C2)C1 ZINC001164781295 721375732 /nfs/dbraw/zinc/37/57/32/721375732.db2.gz IWAQSSPQCQEABK-WZONZLPQSA-N 1 1 477.993 3.022 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C2)C1 ZINC001164781295 721375735 /nfs/dbraw/zinc/37/57/35/721375735.db2.gz IWAQSSPQCQEABK-WZONZLPQSA-N 1 1 477.993 3.022 20 0 JGADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164787853 721375758 /nfs/dbraw/zinc/37/57/58/721375758.db2.gz XUBQRPLIAGXNFM-IQMFZBJNSA-N 1 1 477.993 3.130 20 0 JGADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164787853 721375761 /nfs/dbraw/zinc/37/57/61/721375761.db2.gz XUBQRPLIAGXNFM-IQMFZBJNSA-N 1 1 477.993 3.130 20 0 JGADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164783049 721379049 /nfs/dbraw/zinc/37/90/49/721379049.db2.gz NFXLXAXZYRCBNA-INOCPDNRSA-N 1 1 483.616 3.449 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164779898 721380197 /nfs/dbraw/zinc/38/01/97/721380197.db2.gz DJPDIAAQSNPCCP-UZKOGDIHSA-N 1 1 455.990 3.140 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164894134 721393691 /nfs/dbraw/zinc/39/36/91/721393691.db2.gz XWBWJXDOBUBHBK-HOFKKMOUSA-N 1 1 498.071 3.430 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C3)O2)CC1 ZINC001164887987 721396511 /nfs/dbraw/zinc/39/65/11/721396511.db2.gz IZMFMFAFSMKQTH-RNODOKPDSA-N 1 1 486.835 3.145 20 0 JGADMO CCOc1cc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OCC ZINC001164892575 721411810 /nfs/dbraw/zinc/41/18/10/721411810.db2.gz YWKZEJWMQBEMHB-FNZWTVRRSA-N 1 1 469.630 3.193 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4OCc4ccccc4)C3)O2)CC1 ZINC001164887310 721414554 /nfs/dbraw/zinc/41/45/54/721414554.db2.gz LWONRLMNVDHAKJ-SQJMNOBHSA-N 1 1 472.033 3.474 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C3)O2)CC1 ZINC001164885881 721418327 /nfs/dbraw/zinc/41/83/27/721418327.db2.gz HTKHQENSAMIPQA-KOSHJBKYSA-N 1 1 464.054 3.029 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001164883478 721420516 /nfs/dbraw/zinc/42/05/16/721420516.db2.gz ABCDTLBMJNVREP-UUOWRZLLSA-N 1 1 465.038 3.456 20 0 JGADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784280 721423027 /nfs/dbraw/zinc/42/30/27/721423027.db2.gz KZPVWNZGMVUJBJ-KIMHZCHSSA-N 1 1 492.024 3.017 20 0 JGADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784280 721423029 /nfs/dbraw/zinc/42/30/29/721423029.db2.gz KZPVWNZGMVUJBJ-KIMHZCHSSA-N 1 1 492.024 3.017 20 0 JGADMO COc1cccc(Oc2cncc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n2)c1 ZINC001164893111 721424314 /nfs/dbraw/zinc/42/43/14/721424314.db2.gz JALKFZWVUNUHNJ-DHLKQENFSA-N 1 1 453.587 3.043 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5nc(C(C)(C)C)no5)ccn4)C3)O2)CC1 ZINC001164899962 721429086 /nfs/dbraw/zinc/42/90/86/721429086.db2.gz ZQGNJDSLQNZYLT-CJFMBICVSA-N 1 1 454.619 3.195 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164888664 721430826 /nfs/dbraw/zinc/43/08/26/721430826.db2.gz AAGVACKQTYRSIH-KBMIEXCESA-N 1 1 488.032 3.225 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4C(=O)N4CCc5ccccc54)C3)O2)CC1 ZINC001164893151 721433303 /nfs/dbraw/zinc/43/33/03/721433303.db2.gz JJBLNPKCCBKQSL-QDPGVEIFSA-N 1 1 475.637 3.050 20 0 JGADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)o2)cc1 ZINC001164892997 721437448 /nfs/dbraw/zinc/43/74/48/721437448.db2.gz INJBQLBSJLKOJS-RLWLMLJZSA-N 1 1 462.598 3.359 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)C3)O2)CC1 ZINC001164894912 721444443 /nfs/dbraw/zinc/44/44/43/721444443.db2.gz NFJOXUCFBKGRKI-DYESRHJHSA-N 1 1 482.963 3.095 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(C(=O)OC(C)(C)C)cc4Cl)C3)O2)CC1 ZINC001164898803 721446344 /nfs/dbraw/zinc/44/63/44/721446344.db2.gz XOIKGLCTMKKMJL-YADARESESA-N 1 1 465.038 3.456 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(C(=O)OC(C)(C)C)cc4Cl)C3)O2)CC1 ZINC001164898801 721446627 /nfs/dbraw/zinc/44/66/27/721446627.db2.gz XOIKGLCTMKKMJL-DVECYGJZSA-N 1 1 465.038 3.456 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C3)O2)CC1 ZINC001164889140 721447989 /nfs/dbraw/zinc/44/79/89/721447989.db2.gz NWBPIMQGECJUME-LAUBAEHRSA-N 1 1 487.979 3.137 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164788743 721448631 /nfs/dbraw/zinc/44/86/31/721448631.db2.gz UBWYJODIGGUZHD-JOCHJYFZSA-N 1 1 456.631 3.052 20 0 JGADMO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788728 721451308 /nfs/dbraw/zinc/45/13/08/721451308.db2.gz TVOONRLGJJATCJ-AXKGWLQCSA-N 1 1 457.615 3.392 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164892745 721451603 /nfs/dbraw/zinc/45/16/03/721451603.db2.gz XVJUXHGFFWYUHO-RXVVDRJESA-N 1 1 487.979 3.137 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(Cl)c1C(=O)OC)CC2 ZINC001164789486 721451933 /nfs/dbraw/zinc/45/19/33/721451933.db2.gz WRNKKXUWRQULIL-SFHVURJKSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164790436 721452058 /nfs/dbraw/zinc/45/20/58/721452058.db2.gz ZAGKLINUUBUUJM-LJQANCHMSA-N 1 1 451.995 3.256 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C3)O2)CC1 ZINC001164885994 721453929 /nfs/dbraw/zinc/45/39/29/721453929.db2.gz GBWYNZJDFQCWAO-MGPUTAFESA-N 1 1 487.020 3.136 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C3)O2)CC1 ZINC001164885992 721454141 /nfs/dbraw/zinc/45/41/41/721454141.db2.gz GBWYNZJDFQCWAO-FOIQADDNSA-N 1 1 487.020 3.136 20 0 JGADMO CCOC(=O)c1cc2ccnc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c2[nH]1 ZINC001164786508 721457733 /nfs/dbraw/zinc/45/77/33/721457733.db2.gz OJXLFHGSBSWEEW-OAQYLSRUSA-N 1 1 470.614 3.474 20 0 JGADMO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1 ZINC001164890945 721459099 /nfs/dbraw/zinc/45/90/99/721459099.db2.gz TVWRBDOWBBSLFH-UFYCRDLUSA-N 1 1 481.666 3.428 20 0 JGADMO CCOc1ccc(C(=O)OC)c(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789850 721461805 /nfs/dbraw/zinc/46/18/05/721461805.db2.gz XRZUFEHKKZNZPD-HXUWFJFHSA-N 1 1 461.603 3.001 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164784029 721462352 /nfs/dbraw/zinc/46/23/52/721462352.db2.gz GQMAKBSFOOQPKS-QHCPKHFHSA-N 1 1 480.657 3.339 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c(OC)c1 ZINC001164789261 721462484 /nfs/dbraw/zinc/46/24/84/721462484.db2.gz WDGJIFKBMYVNDM-NRFANRHFSA-N 1 1 461.603 3.001 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)CC2 ZINC001164782754 721464535 /nfs/dbraw/zinc/46/45/35/721464535.db2.gz BLTHWHXFVKJDAU-IBGZPJMESA-N 1 1 492.064 3.228 20 0 JGADMO c1cn2c(n1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C[C@@H](COCc1ccccn1)C2 ZINC001164888990 721469467 /nfs/dbraw/zinc/46/94/67/721469467.db2.gz GXTZLMZAWPFJFZ-QHCPKHFHSA-N 1 1 481.604 3.480 20 0 JGADMO c1cn2c(n1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C[C@@H](COCc1ccccn1)C2 ZINC001164888990 721469470 /nfs/dbraw/zinc/46/94/70/721469470.db2.gz GXTZLMZAWPFJFZ-QHCPKHFHSA-N 1 1 481.604 3.480 20 0 JGADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912316 721534311 /nfs/dbraw/zinc/53/43/11/721534311.db2.gz YVOMXZGUFHKOSL-AZUAARDMSA-N 1 1 467.545 3.459 20 0 JGADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164805515 721536524 /nfs/dbraw/zinc/53/65/24/721536524.db2.gz LZKDSNYYTHCITQ-TXPKVOOTSA-N 1 1 452.937 3.004 20 0 JGADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164805515 721536528 /nfs/dbraw/zinc/53/65/28/721536528.db2.gz LZKDSNYYTHCITQ-TXPKVOOTSA-N 1 1 452.937 3.004 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906875 721539081 /nfs/dbraw/zinc/53/90/81/721539081.db2.gz LQJRUKKTOMKRNI-HIFRSBDPSA-N 1 1 455.317 3.441 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC[N@@H+]3C2)c1 ZINC001164908167 721540079 /nfs/dbraw/zinc/54/00/79/721540079.db2.gz PITCMHITCCKRLA-DOTOQJQBSA-N 1 1 468.360 3.101 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC[N@H+]3C2)c1 ZINC001164908167 721540081 /nfs/dbraw/zinc/54/00/81/721540081.db2.gz PITCMHITCCKRLA-DOTOQJQBSA-N 1 1 468.360 3.101 20 0 JGADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@H+]3C2)c1 ZINC001164911422 721541277 /nfs/dbraw/zinc/54/12/77/721541277.db2.gz WRWDKRCVVRBTEK-GGAORHGYSA-N 1 1 475.572 3.405 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912467 721545644 /nfs/dbraw/zinc/54/56/44/721545644.db2.gz ZWWZDEQVOKBNSP-IRLDBZIGSA-N 1 1 463.557 3.497 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164811191 721550809 /nfs/dbraw/zinc/55/08/09/721550809.db2.gz ZIPJCPPZFYJAGW-UWVAXJGDSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164811191 721550812 /nfs/dbraw/zinc/55/08/12/721550812.db2.gz ZIPJCPPZFYJAGW-UWVAXJGDSA-N 1 1 466.916 3.330 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164799525 721560650 /nfs/dbraw/zinc/56/06/50/721560650.db2.gz CHTSOLUHCSZMCF-QTEQDKRBSA-N 1 1 458.006 3.480 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164799525 721560652 /nfs/dbraw/zinc/56/06/52/721560652.db2.gz CHTSOLUHCSZMCF-QTEQDKRBSA-N 1 1 458.006 3.480 20 0 JGADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C1=O ZINC001164904549 721575420 /nfs/dbraw/zinc/57/54/20/721575420.db2.gz WLQHECDLUIXUSF-HKUYNNGSSA-N 1 1 469.655 3.097 20 0 JGADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C1=O ZINC001164904554 721575507 /nfs/dbraw/zinc/57/55/07/721575507.db2.gz WLQHECDLUIXUSF-MJGOQNOKSA-N 1 1 469.655 3.097 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c1 ZINC001164808085 721584311 /nfs/dbraw/zinc/58/43/11/721584311.db2.gz PVLHMJZLKVAFQG-FXSPECFOSA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c1 ZINC001164808085 721584315 /nfs/dbraw/zinc/58/43/15/721584315.db2.gz PVLHMJZLKVAFQG-FXSPECFOSA-N 1 1 461.566 3.424 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)[C@H]2CCCO[C@H]12 ZINC001164810923 721586588 /nfs/dbraw/zinc/58/65/88/721586588.db2.gz WRSGQKZUSUKHDY-REUBFRLUSA-N 1 1 486.620 3.243 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)[C@H]2CCCO[C@H]12 ZINC001164810923 721586590 /nfs/dbraw/zinc/58/65/90/721586590.db2.gz WRSGQKZUSUKHDY-REUBFRLUSA-N 1 1 486.620 3.243 20 0 JGADMO O=C1CO[C@]2(CN1c1ccsc1)COCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164801722 721593791 /nfs/dbraw/zinc/59/37/91/721593791.db2.gz SHDSNVWUTPVBPV-HHHXNRCGSA-N 1 1 490.629 3.340 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCn3cnc(COCC4CC4)c3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164801069 721599807 /nfs/dbraw/zinc/59/98/07/721599807.db2.gz NQMYQGZQRREIFY-HXUWFJFHSA-N 1 1 496.656 3.024 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCn3cnc(COCC4CC4)c3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164801065 721599920 /nfs/dbraw/zinc/59/99/20/721599920.db2.gz NQMYQGZQRREIFY-FQEVSTJZSA-N 1 1 496.656 3.024 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908008 721693829 /nfs/dbraw/zinc/69/38/29/721693829.db2.gz XZCLNKVSWONIHW-HXUWFJFHSA-N 1 1 451.905 3.439 20 0 JGADMO CC1(C)NC(=O)N(Cc2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)C1=O ZINC001164912202 721727447 /nfs/dbraw/zinc/72/74/47/721727447.db2.gz MQQQNWBBONRRPE-XMMPIXPASA-N 1 1 484.551 3.045 20 0 JGADMO COC(=O)C1CCN(c2nccnc2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001164911587 721757929 /nfs/dbraw/zinc/75/79/29/721757929.db2.gz WWZIBLCHCWABLR-UHFFFAOYSA-N 1 1 476.581 3.049 20 0 JGADMO COC(=O)C1CCN(c2nccnc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001164911587 721757931 /nfs/dbraw/zinc/75/79/31/721757931.db2.gz WWZIBLCHCWABLR-UHFFFAOYSA-N 1 1 476.581 3.049 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)C2 ZINC001164910788 721761133 /nfs/dbraw/zinc/76/11/33/721761133.db2.gz LBQTXYHVTDIDQB-UHFFFAOYSA-N 1 1 481.622 3.439 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)C2 ZINC001164910788 721761143 /nfs/dbraw/zinc/76/11/43/721761143.db2.gz LBQTXYHVTDIDQB-UHFFFAOYSA-N 1 1 481.622 3.439 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165019402 721778084 /nfs/dbraw/zinc/77/80/84/721778084.db2.gz KYNUITCLMYPRFU-PLXFJCCSSA-N 1 1 456.631 3.253 20 0 JGADMO CCc1nc2sc3c(c2c(N2CCO[C@@]4(C2)COCC[N@H+](Cc2cccnc2)C4)n1)CCC3 ZINC001164914661 721793941 /nfs/dbraw/zinc/79/39/41/721793941.db2.gz PGBNOKPBMDCFGY-VWLOTQADSA-N 1 1 465.623 3.245 20 0 JGADMO CCc1nc2sc3c(c2c(N2CCO[C@@]4(C2)COCC[N@@H+](Cc2cccnc2)C4)n1)CCC3 ZINC001164914661 721793942 /nfs/dbraw/zinc/79/39/42/721793942.db2.gz PGBNOKPBMDCFGY-VWLOTQADSA-N 1 1 465.623 3.245 20 0 JGADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]32)cc1 ZINC001165024368 721794732 /nfs/dbraw/zinc/79/47/32/721794732.db2.gz SJIVRPRFCUWDDK-SVBPBHIXSA-N 1 1 484.600 3.265 20 0 JGADMO Clc1ccc2c(Cl)nnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164915302 721798477 /nfs/dbraw/zinc/79/84/77/721798477.db2.gz VZECGDRYHZWBBO-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2c(Cl)nnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164915302 721798479 /nfs/dbraw/zinc/79/84/79/721798479.db2.gz VZECGDRYHZWBBO-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO CCOC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)CC1 ZINC001165026449 721818021 /nfs/dbraw/zinc/81/80/21/721818021.db2.gz QMCLIIMGXSOYDO-QPTUXGOLSA-N 1 1 478.641 3.388 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(S(N)(=O)=O)cnc3Cl)C[C@@H]21 ZINC001165023598 721820636 /nfs/dbraw/zinc/82/06/36/721820636.db2.gz IHGYWMOZYACVNA-UCLAIMLFSA-N 1 1 485.988 3.059 20 0 JGADMO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164926263 721835905 /nfs/dbraw/zinc/83/59/05/721835905.db2.gz RGVLEJTWFIAXRP-WXVAWEFUSA-N 1 1 471.609 3.089 20 0 JGADMO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164926263 721835906 /nfs/dbraw/zinc/83/59/06/721835906.db2.gz RGVLEJTWFIAXRP-WXVAWEFUSA-N 1 1 471.609 3.089 20 0 JGADMO Fc1cnc(N2CCOC[C@]3(CCCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2)nc1 ZINC001164919675 721845934 /nfs/dbraw/zinc/84/59/34/721845934.db2.gz CGDOKOUONZBZCX-QHCPKHFHSA-N 1 1 460.985 3.383 20 0 JGADMO Fc1cnc(N2CCOC[C@]3(CCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C3)C2)nc1 ZINC001164920492 721845959 /nfs/dbraw/zinc/84/59/59/721845959.db2.gz JPEWFQJNORVMLH-MHZLTWQESA-N 1 1 489.599 3.087 20 0 JGADMO Fc1cnc(N2CCOC[C@]3(CCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C3)C2)nc1 ZINC001164920492 721845962 /nfs/dbraw/zinc/84/59/62/721845962.db2.gz JPEWFQJNORVMLH-MHZLTWQESA-N 1 1 489.599 3.087 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164930875 721878849 /nfs/dbraw/zinc/87/88/49/721878849.db2.gz DGJXLXSJDAXKNK-DHIUTWEWSA-N 1 1 492.693 3.405 20 0 JGADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164930875 721878850 /nfs/dbraw/zinc/87/88/50/721878850.db2.gz DGJXLXSJDAXKNK-DHIUTWEWSA-N 1 1 492.693 3.405 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164934628 721878920 /nfs/dbraw/zinc/87/89/20/721878920.db2.gz STIOTMNRXAKANL-WOJBJXKFSA-N 1 1 454.688 3.381 20 0 JGADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164934628 721878921 /nfs/dbraw/zinc/87/89/21/721878921.db2.gz STIOTMNRXAKANL-WOJBJXKFSA-N 1 1 454.688 3.381 20 0 JGADMO O=C(CO[C@@H]1CO[C@@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164938379 721917208 /nfs/dbraw/zinc/91/72/08/721917208.db2.gz MRYHPPJSVDWKMA-CUBQBAPOSA-N 1 1 476.621 3.017 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)c2c1C ZINC001164937654 721918767 /nfs/dbraw/zinc/91/87/67/721918767.db2.gz FWHJGWRLORLCFN-RXFWQSSRSA-N 1 1 499.681 3.281 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)nc1 ZINC001164939187 721919508 /nfs/dbraw/zinc/91/95/08/721919508.db2.gz SOQDRZHEVYXQNH-PLXFJCCSSA-N 1 1 456.631 3.395 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939087 721927886 /nfs/dbraw/zinc/92/78/86/721927886.db2.gz IRQMNVNGEFPLFG-UHFFFAOYSA-N 1 1 499.015 3.223 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccc4S(=O)(=O)N4CCCCC4)CC3)C2)cc1 ZINC001164940166 721932220 /nfs/dbraw/zinc/93/22/20/721932220.db2.gz QWTNVQVXRJRIBC-UHFFFAOYSA-N 1 1 484.666 3.436 20 0 JGADMO COc1ccc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1 ZINC001164947231 721968654 /nfs/dbraw/zinc/96/86/54/721968654.db2.gz QHQHORCDIMILMJ-UHFFFAOYSA-N 1 1 451.958 3.263 20 0 JGADMO COc1ccc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1 ZINC001164947231 721968657 /nfs/dbraw/zinc/96/86/57/721968657.db2.gz QHQHORCDIMILMJ-UHFFFAOYSA-N 1 1 451.958 3.263 20 0 JGADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164944981 721971167 /nfs/dbraw/zinc/97/11/67/721971167.db2.gz LUDHGLJXILPBPH-UHFFFAOYSA-N 1 1 492.798 3.351 20 0 JGADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164944981 721971170 /nfs/dbraw/zinc/97/11/70/721971170.db2.gz LUDHGLJXILPBPH-UHFFFAOYSA-N 1 1 492.798 3.351 20 0 JGADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945986 721976987 /nfs/dbraw/zinc/97/69/87/721976987.db2.gz IARJLPVOTQZBRU-UHFFFAOYSA-N 1 1 453.978 3.032 20 0 JGADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945986 721976989 /nfs/dbraw/zinc/97/69/89/721976989.db2.gz IARJLPVOTQZBRU-UHFFFAOYSA-N 1 1 453.978 3.032 20 0 JGADMO COC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c2ccccc2c1OC ZINC001164948258 721980071 /nfs/dbraw/zinc/98/00/71/721980071.db2.gz KHNSBMLMUBESGR-UHFFFAOYSA-N 1 1 474.561 3.001 20 0 JGADMO COC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c2ccccc2c1OC ZINC001164948258 721980075 /nfs/dbraw/zinc/98/00/75/721980075.db2.gz KHNSBMLMUBESGR-UHFFFAOYSA-N 1 1 474.561 3.001 20 0 JGADMO COC(=O)CCN(Cc1ccco1)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165049900 721982535 /nfs/dbraw/zinc/98/25/35/721982535.db2.gz NUWHKHAEIXCWFK-GOSISDBHSA-N 1 1 472.586 3.043 20 0 JGADMO COC(=O)CCN(Cc1ccco1)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165049900 721982539 /nfs/dbraw/zinc/98/25/39/721982539.db2.gz NUWHKHAEIXCWFK-GOSISDBHSA-N 1 1 472.586 3.043 20 0 JGADMO CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164949442 721984984 /nfs/dbraw/zinc/98/49/84/721984984.db2.gz QIROPGZQBLUNTI-HKUYNNGSSA-N 1 1 489.711 3.416 20 0 JGADMO FC(F)(F)c1nnc(N2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)s1 ZINC001165052382 721999669 /nfs/dbraw/zinc/99/96/69/721999669.db2.gz RJALSJMTLPSLBT-UHFFFAOYSA-N 1 1 461.517 3.232 20 0 JGADMO FC(F)(F)c1nnc(N2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)s1 ZINC001165052382 721999673 /nfs/dbraw/zinc/99/96/73/721999673.db2.gz RJALSJMTLPSLBT-UHFFFAOYSA-N 1 1 461.517 3.232 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)nc1 ZINC001164958299 722045843 /nfs/dbraw/zinc/04/58/43/722045843.db2.gz MQYRQZCPQDOQET-DHIUTWEWSA-N 1 1 456.631 3.253 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164972137 722085293 /nfs/dbraw/zinc/08/52/93/722085293.db2.gz LEZVBKFEJLIQSF-BURNTYAHSA-N 1 1 497.684 3.012 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)C(C)C)C[C@@]3(CCCC(=O)N3)C2)nc1 ZINC001164977662 722088505 /nfs/dbraw/zinc/08/85/05/722088505.db2.gz XMWWKNLGHRSIGP-ATIYNZHBSA-N 1 1 455.647 3.362 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164978319 722103051 /nfs/dbraw/zinc/10/30/51/722103051.db2.gz GRHHOOUZRPOBCI-WIYYLYMNSA-N 1 1 467.957 3.192 20 0 JGADMO O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980057 722103442 /nfs/dbraw/zinc/10/34/42/722103442.db2.gz JEBUEKLLJJGRKV-ILBGXUMGSA-N 1 1 457.578 3.134 20 0 JGADMO c1ccc(CN2CCc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c3C2)cc1 ZINC001164985249 722104416 /nfs/dbraw/zinc/10/44/16/722104416.db2.gz VRWOWWOSZXOAIH-IGKIAQTJSA-N 1 1 470.621 3.157 20 0 JGADMO c1ccc(CN2CCc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c3C2)cc1 ZINC001164985253 722104621 /nfs/dbraw/zinc/10/46/21/722104621.db2.gz VRWOWWOSZXOAIH-SHQCIBLASA-N 1 1 470.621 3.157 20 0 JGADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2N1C1CCCC1 ZINC001164973333 722117318 /nfs/dbraw/zinc/11/73/18/722117318.db2.gz HAIWXTVXSGHCOL-TUACAJSNSA-N 1 1 491.640 3.079 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978392 722119224 /nfs/dbraw/zinc/11/92/24/722119224.db2.gz ONIZIOFMVHXTIR-RXVVDRJESA-N 1 1 467.957 3.192 20 0 JGADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972524 722125308 /nfs/dbraw/zinc/12/53/08/722125308.db2.gz FXOVSRGDDUAQBC-ICSRJNTNSA-N 1 1 458.006 3.386 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[C@H]3C2)c1 ZINC001164982160 722127674 /nfs/dbraw/zinc/12/76/74/722127674.db2.gz WCYNAYOPFYIXIJ-DHLKQENFSA-N 1 1 486.624 3.046 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974373 722133454 /nfs/dbraw/zinc/13/34/54/722133454.db2.gz DKQLYIHFHJBONO-NZQKXSOJSA-N 1 1 497.640 3.480 20 0 JGADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984216 722135424 /nfs/dbraw/zinc/13/54/24/722135424.db2.gz WMFYOQBAWSHPRY-LPHOPBHVSA-N 1 1 460.916 3.345 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983800 722136291 /nfs/dbraw/zinc/13/62/91/722136291.db2.gz UZOJCZKXMWFJDM-LPHOPBHVSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1)C1CC1 ZINC001164976990 722137799 /nfs/dbraw/zinc/13/77/99/722137799.db2.gz HMTABNCLNUXICZ-HJOGWXRNSA-N 1 1 450.583 3.261 20 0 JGADMO O=C(c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCc2ccccc21 ZINC001164978080 722139969 /nfs/dbraw/zinc/13/99/69/722139969.db2.gz JOVVSQOXFCFODX-ZEQKJWHPSA-N 1 1 469.589 3.407 20 0 JGADMO COC(=O)c1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc2c1OC ZINC001164976003 722148685 /nfs/dbraw/zinc/14/86/85/722148685.db2.gz GFSMCYXVHUAWQX-DENIHFKCSA-N 1 1 462.550 3.152 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972454 722153616 /nfs/dbraw/zinc/15/36/16/722153616.db2.gz HVPGDTJXFDXWOA-IEBWSBKVSA-N 1 1 481.931 3.494 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4C[C@H](C(=O)NC(C)C)C[C@@H]43)c2c1C ZINC001164995101 722216313 /nfs/dbraw/zinc/21/63/13/722216313.db2.gz GPQTWFNHBCCMMB-CEXWTWQISA-N 1 1 457.644 3.412 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nc(Cl)c4cccc(F)c4n2)CC3)CC1 ZINC001164996485 722231574 /nfs/dbraw/zinc/23/15/74/722231574.db2.gz IBXIOBVDCFYHGV-UHFFFAOYSA-N 1 1 477.922 3.114 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc(-c4cc(Cl)ncn4)cc2)CC3)CC1 ZINC001164997116 722232007 /nfs/dbraw/zinc/23/20/07/722232007.db2.gz QEZFDFRLTIFJKY-UHFFFAOYSA-N 1 1 485.970 3.489 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc(-c4ccc(Cl)nn4)cc2)CC3)CC1 ZINC001165002289 722238049 /nfs/dbraw/zinc/23/80/49/722238049.db2.gz SUOLQHLJXSXOMC-UHFFFAOYSA-N 1 1 485.970 3.489 20 0 JGADMO COc1ccc(Oc2nc(Cl)ncc2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc1 ZINC001165002272 722240258 /nfs/dbraw/zinc/24/02/58/722240258.db2.gz SLESVPGIXWBAKT-UHFFFAOYSA-N 1 1 481.988 3.078 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3OCCN(C(=O)c4cccn4C)C[C@@H]3C2)n1 ZINC001165003021 722244337 /nfs/dbraw/zinc/24/43/37/722244337.db2.gz HDDTYFPMJCJMBS-CTNGQTDRSA-N 1 1 496.681 3.466 20 0 JGADMO COc1cc2cc[nH+]c(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2cc1OC ZINC001165008284 722265011 /nfs/dbraw/zinc/26/50/11/722265011.db2.gz WMYWEUGKBUWQOP-VWLOTQADSA-N 1 1 450.514 3.319 20 0 JGADMO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001165005417 722265660 /nfs/dbraw/zinc/26/56/60/722265660.db2.gz BYJBEMMVIOBHLU-DEOSSOPVSA-N 1 1 457.981 3.397 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305794159 1069311540 /nfs/dbraw/zinc/31/15/40/1069311540.db2.gz INYNCJPEWMYCNA-NFBKMPQASA-N 1 1 468.646 3.425 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305794459 1069312418 /nfs/dbraw/zinc/31/24/18/1069312418.db2.gz KMEXHQLQBKHISQ-VXKWHMMOSA-N 1 1 454.619 3.259 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOCC3(CC3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305795988 1069315756 /nfs/dbraw/zinc/31/57/56/1069315756.db2.gz QUDOIRKIIRIONU-FQEVSTJZSA-N 1 1 460.667 3.325 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOCC3(CC3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305795989 1069315556 /nfs/dbraw/zinc/31/55/56/1069315556.db2.gz QUDOIRKIIRIONU-HXUWFJFHSA-N 1 1 460.667 3.325 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CC[N@@H+](C)C(C)C ZINC001305796545 1069316445 /nfs/dbraw/zinc/31/64/45/1069316445.db2.gz XNWGFAUFGVEJOX-NRFANRHFSA-N 1 1 460.598 3.254 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCSC[C@@H]2C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001305799866 1069321870 /nfs/dbraw/zinc/32/18/70/1069321870.db2.gz YDJZHWZXMQFPMV-IBGZPJMESA-N 1 1 486.686 3.019 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305801288 1069323643 /nfs/dbraw/zinc/32/36/43/1069323643.db2.gz RHGGVMGFCVVCJO-KRWDZBQOSA-N 1 1 462.639 3.409 20 0 JGADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC001305801877 1069324586 /nfs/dbraw/zinc/32/45/86/1069324586.db2.gz AQAVOHLEOBLZDJ-KNQAVFIVSA-N 1 1 468.646 3.257 20 0 JGADMO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1)c1ccccc1 ZINC001305802793 1069326870 /nfs/dbraw/zinc/32/68/70/1069326870.db2.gz IMTKDFLTJCXUDH-FYYLOGMGSA-N 1 1 468.646 3.255 20 0 JGADMO CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)OC ZINC001305805380 1069331427 /nfs/dbraw/zinc/33/14/27/1069331427.db2.gz BFOWOXMMJLHLRH-PMACEKPBSA-N 1 1 452.603 3.384 20 0 JGADMO CC[C@H](Cn1c(C(C)C)nnc1N(CCS(C)(=O)=O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC001305806001 1069333476 /nfs/dbraw/zinc/33/34/76/1069333476.db2.gz NCKLPVCAAXRBBB-OAQYLSRUSA-N 1 1 459.660 3.252 20 0 JGADMO CC[C@H](Cn1c(C(C)C)nnc1N(CCS(C)(=O)=O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC001305806001 1069333495 /nfs/dbraw/zinc/33/34/95/1069333495.db2.gz NCKLPVCAAXRBBB-OAQYLSRUSA-N 1 1 459.660 3.252 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)OC ZINC001305813995 1069345223 /nfs/dbraw/zinc/34/52/23/1069345223.db2.gz LIOCBMNZCXNYJA-QFBILLFUSA-N 1 1 466.424 3.290 20 0 JGADMO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001305817145 1069351307 /nfs/dbraw/zinc/35/13/07/1069351307.db2.gz XACQHXWNCQAKLX-WIYYLYMNSA-N 1 1 475.659 3.084 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1ccccc1F ZINC001305828419 1069368999 /nfs/dbraw/zinc/36/89/99/1069368999.db2.gz JOTKYOKAVKOMFV-QUCCMNQESA-N 1 1 458.582 3.146 20 0 JGADMO CC[C@@H](Cn1c(C2CCC2)nnc1N(CC)CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001305832438 1069373461 /nfs/dbraw/zinc/37/34/61/1069373461.db2.gz ZGMDSMJHLZXFRZ-QFIPXVFZSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@@H](Cn1c(C2CCC2)nnc1N(CC)CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001305832438 1069373473 /nfs/dbraw/zinc/37/34/73/1069373473.db2.gz ZGMDSMJHLZXFRZ-QFIPXVFZSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305837273 1069380408 /nfs/dbraw/zinc/38/04/08/1069380408.db2.gz MUMODBQTSNUJTK-JOCHJYFZSA-N 1 1 469.609 3.106 20 0 JGADMO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305842538 1069391690 /nfs/dbraw/zinc/39/16/90/1069391690.db2.gz BVNKXHLGICJTGF-HBMCJLEFSA-N 1 1 486.665 3.116 20 0 JGADMO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001305850860 1069404089 /nfs/dbraw/zinc/40/40/89/1069404089.db2.gz UPZMLMKWKFJCGE-ZGXWSNOMSA-N 1 1 462.639 3.148 20 0 JGADMO CC[C@@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001305866574 1069422857 /nfs/dbraw/zinc/42/28/57/1069422857.db2.gz SYLHLUUQMCTAGX-QHCPKHFHSA-N 1 1 489.462 3.498 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305864628 1069421158 /nfs/dbraw/zinc/42/11/58/1069421158.db2.gz NMGAXNFEMFGZTC-FTBPSBKWSA-N 1 1 463.667 3.302 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001305881457 1069434695 /nfs/dbraw/zinc/43/46/95/1069434695.db2.gz KFGGYHDGJJYPFL-HSZRJFAPSA-N 1 1 463.648 3.084 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001305887456 1069444211 /nfs/dbraw/zinc/44/42/11/1069444211.db2.gz PTHWDQCBWYFKAP-NVQXNPDNSA-N 1 1 468.646 3.202 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001305893692 1069451080 /nfs/dbraw/zinc/45/10/80/1069451080.db2.gz OFIRSBOYIKCEQH-SQJMNOBHSA-N 1 1 463.667 3.304 20 0 JGADMO CCc1ccc([C@@H](Cn2c(N(CC)[C@@H]3CCS(=O)(=O)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001305917559 1069472538 /nfs/dbraw/zinc/47/25/38/1069472538.db2.gz ALHYIBNAEOUITC-NHCUHLMSSA-N 1 1 461.676 3.454 20 0 JGADMO CCc1ccc([C@@H](Cn2c(CC(C)C)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC001305918332 1069473161 /nfs/dbraw/zinc/47/31/61/1069473161.db2.gz LSYIOSWGHHNRJL-FCHUYYIVSA-N 1 1 461.676 3.355 20 0 JGADMO CCc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305918838 1069474136 /nfs/dbraw/zinc/47/41/36/1069474136.db2.gz NZFLFSAOEPXGIY-RTWAWAEBSA-N 1 1 461.676 3.355 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305918778 1069474163 /nfs/dbraw/zinc/47/41/63/1069474163.db2.gz MHFNXELOGMLLKA-BHIFYINESA-N 1 1 475.659 3.008 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](CC)C2)[NH+](C)C)cc1 ZINC001305919243 1069474778 /nfs/dbraw/zinc/47/47/78/1069474778.db2.gz OBJRSTXXHXNDJB-BVSLBCMMSA-N 1 1 459.660 3.282 20 0 JGADMO CCc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305920810 1069476835 /nfs/dbraw/zinc/47/68/35/1069476835.db2.gz URHZJMONJHYBHN-GOTSBHOMSA-N 1 1 473.687 3.499 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[N@@H+]1CC=CCC1 ZINC001298211671 1064128584 /nfs/dbraw/zinc/12/85/84/1064128584.db2.gz HZQPQVNXFNZLEZ-UHFFFAOYSA-N 1 1 463.586 3.213 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001298214153 1064130845 /nfs/dbraw/zinc/13/08/45/1064130845.db2.gz PVSUXHSAVURQPS-MRXNPFEDSA-N 1 1 471.556 3.272 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001298214150 1064130868 /nfs/dbraw/zinc/13/08/68/1064130868.db2.gz PVSUXHSAVURQPS-INIZCTEOSA-N 1 1 471.556 3.272 20 0 JGADMO CN(CC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298230117 1064138691 /nfs/dbraw/zinc/13/86/91/1064138691.db2.gz LJLRCTXDAMBFLX-FCHUYYIVSA-N 1 1 473.687 3.227 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc[nH]2)n1CCC(=O)Nc1ccccc1 ZINC001298235835 1064141410 /nfs/dbraw/zinc/14/14/10/1064141410.db2.gz LBVSUJNTZFHOJT-UHFFFAOYSA-N 1 1 465.602 3.097 20 0 JGADMO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298236375 1064142016 /nfs/dbraw/zinc/14/20/16/1064142016.db2.gz SZZWZGCUILYACH-JOCHJYFZSA-N 1 1 469.678 3.255 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C/C=C/c1ccccc1 ZINC001298236127 1064142102 /nfs/dbraw/zinc/14/21/02/1064142102.db2.gz NWGMVPGCNHFZDU-FMIVXFBMSA-N 1 1 466.630 3.022 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1cccs1 ZINC001298240215 1064145383 /nfs/dbraw/zinc/14/53/83/1064145383.db2.gz OGQQRFCSHGTJAT-RUZDIDTESA-N 1 1 484.670 3.028 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC2CCCC2)n1CCC(=O)NC(C)(C)C ZINC001298240558 1064146069 /nfs/dbraw/zinc/14/60/69/1064146069.db2.gz SZUQRGDVZDBSRV-UHFFFAOYSA-N 1 1 462.683 3.110 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cc(Br)cn2C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298240498 1064146086 /nfs/dbraw/zinc/14/60/86/1064146086.db2.gz NROTVTRRKHXDTE-OAHLLOKOSA-N 1 1 493.372 3.282 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001298240790 1064146648 /nfs/dbraw/zinc/14/66/48/1064146648.db2.gz WXHCVTBIZNFTNA-UQBPGWFLSA-N 1 1 492.064 3.138 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2ccnc21 ZINC001298241083 1064147336 /nfs/dbraw/zinc/14/73/36/1064147336.db2.gz ZMGNKMSRDQSZQV-HXUWFJFHSA-N 1 1 457.667 3.435 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298241246 1064147394 /nfs/dbraw/zinc/14/73/94/1064147394.db2.gz VRFBECGTYVBVJR-UHFFFAOYSA-N 1 1 478.361 3.060 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298241246 1064147396 /nfs/dbraw/zinc/14/73/96/1064147396.db2.gz VRFBECGTYVBVJR-UHFFFAOYSA-N 1 1 478.361 3.060 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298241246 1064147400 /nfs/dbraw/zinc/14/74/00/1064147400.db2.gz VRFBECGTYVBVJR-UHFFFAOYSA-N 1 1 478.361 3.060 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc([C@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298260146 1064155000 /nfs/dbraw/zinc/15/50/00/1064155000.db2.gz QNRKQVPCEDPWAP-HNNXBMFYSA-N 1 1 484.464 3.353 20 0 JGADMO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001298261868 1064156916 /nfs/dbraw/zinc/15/69/16/1064156916.db2.gz DJPOPAOKPQOCFC-YGTYGHESSA-N 1 1 453.377 3.251 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298274649 1064165075 /nfs/dbraw/zinc/16/50/75/1064165075.db2.gz KBUMFOSZOXMVNN-TZIWHRDSSA-N 1 1 492.462 3.418 20 0 JGADMO CN(Cc1ccc(Br)s1)c1nnc(C2CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298282298 1064168641 /nfs/dbraw/zinc/16/86/41/1064168641.db2.gz CLGXMNPMRVMMRZ-HNNXBMFYSA-N 1 1 454.438 3.463 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCOC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298281976 1064168729 /nfs/dbraw/zinc/16/87/29/1064168729.db2.gz PXYKOYZMAVIFGE-IRXDYDNUSA-N 1 1 482.423 3.011 20 0 JGADMO CN(Cc1ccc(Br)s1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298283209 1064170945 /nfs/dbraw/zinc/17/09/45/1064170945.db2.gz VVFPZYGHMNGBBV-UHFFFAOYSA-N 1 1 494.463 3.250 20 0 JGADMO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCOC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298295648 1064179939 /nfs/dbraw/zinc/17/99/39/1064179939.db2.gz PMIITCWLQFPIEG-SJORKVTESA-N 1 1 454.040 3.370 20 0 JGADMO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCOC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298295647 1064179950 /nfs/dbraw/zinc/17/99/50/1064179950.db2.gz PMIITCWLQFPIEG-IRXDYDNUSA-N 1 1 454.040 3.370 20 0 JGADMO CN(Cc1ccc(F)c(Cl)c1)c1nnc(C(=O)N2CCCC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298302797 1064183116 /nfs/dbraw/zinc/18/31/16/1064183116.db2.gz HAVXINCXDJOHSS-LJQANCHMSA-N 1 1 493.027 3.180 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298305711 1064185581 /nfs/dbraw/zinc/18/55/81/1064185581.db2.gz XFFKOXTXYWRRLJ-HXUWFJFHSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298317350 1064192503 /nfs/dbraw/zinc/19/25/03/1064192503.db2.gz RIJZPVAHKYPMJK-RBBKRZOGSA-N 1 1 489.686 3.332 20 0 JGADMO CN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298324525 1064199529 /nfs/dbraw/zinc/19/95/29/1064199529.db2.gz RXANMIFVAUMJSW-UHFFFAOYSA-N 1 1 456.635 3.258 20 0 JGADMO CN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298324525 1064199535 /nfs/dbraw/zinc/19/95/35/1064199535.db2.gz RXANMIFVAUMJSW-UHFFFAOYSA-N 1 1 456.635 3.258 20 0 JGADMO CN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298324525 1064199541 /nfs/dbraw/zinc/19/95/41/1064199541.db2.gz RXANMIFVAUMJSW-UHFFFAOYSA-N 1 1 456.635 3.258 20 0 JGADMO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298325570 1064201435 /nfs/dbraw/zinc/20/14/35/1064201435.db2.gz ZLEPZSIFJGNRLB-MGBGTMOVSA-N 1 1 487.695 3.415 20 0 JGADMO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298325570 1064201441 /nfs/dbraw/zinc/20/14/41/1064201441.db2.gz ZLEPZSIFJGNRLB-MGBGTMOVSA-N 1 1 487.695 3.415 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C3CCCC3)n2CC(=O)NCC(F)(F)F)C1 ZINC001298351185 1064214807 /nfs/dbraw/zinc/21/48/07/1064214807.db2.gz SBBBVTZQIYWJGW-LJQANCHMSA-N 1 1 464.536 3.325 20 0 JGADMO CN(Cc1ccccc1Cl)c1nnc(C(=O)Nc2ccccn2)n1CCCC[NH+]1CCOCC1 ZINC001298354500 1064216736 /nfs/dbraw/zinc/21/67/36/1064216736.db2.gz PDTUXGZLLXLKDT-UHFFFAOYSA-N 1 1 484.004 3.328 20 0 JGADMO CN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298360645 1064219311 /nfs/dbraw/zinc/21/93/11/1064219311.db2.gz UWMFOPBVUANHLZ-UHFFFAOYSA-N 1 1 451.594 3.065 20 0 JGADMO CN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298360645 1064219320 /nfs/dbraw/zinc/21/93/20/1064219320.db2.gz UWMFOPBVUANHLZ-UHFFFAOYSA-N 1 1 451.594 3.065 20 0 JGADMO CN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298360645 1064219328 /nfs/dbraw/zinc/21/93/28/1064219328.db2.gz UWMFOPBVUANHLZ-UHFFFAOYSA-N 1 1 451.594 3.065 20 0 JGADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)C1 ZINC001298377118 1064225381 /nfs/dbraw/zinc/22/53/81/1064225381.db2.gz KBUABYYYVIUPIS-KXBFYZLASA-N 1 1 458.356 3.243 20 0 JGADMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC001298379076 1064225914 /nfs/dbraw/zinc/22/59/14/1064225914.db2.gz YYJAVCASKDTOIE-QFIPXVFZSA-N 1 1 459.612 3.316 20 0 JGADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001298378806 1064225942 /nfs/dbraw/zinc/22/59/42/1064225942.db2.gz QAZBBFGHGHWTTK-ICSRJNTNSA-N 1 1 459.493 3.098 20 0 JGADMO COc1cc(I)ccc1C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC001298378422 1064225981 /nfs/dbraw/zinc/22/59/81/1064225981.db2.gz IWPIFFIOTWOHLO-INIZCTEOSA-N 1 1 452.292 3.119 20 0 JGADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001298378807 1064226160 /nfs/dbraw/zinc/22/61/60/1064226160.db2.gz QAZBBFGHGHWTTK-QUCCMNQESA-N 1 1 459.493 3.098 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(C2CCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298399964 1064235709 /nfs/dbraw/zinc/23/57/09/1064235709.db2.gz NYHMFCNSKBLPTD-UHFFFAOYSA-N 1 1 455.529 3.045 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(C(C)(C)C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001298400334 1064236385 /nfs/dbraw/zinc/23/63/85/1064236385.db2.gz WMGPRCNQXYVWJU-CQSZACIVSA-N 1 1 450.513 3.423 20 0 JGADMO CN(Cc1cnccn1)c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CC=CCC1 ZINC001298406348 1064237704 /nfs/dbraw/zinc/23/77/04/1064237704.db2.gz CUXAVEQPSHSBEW-UHFFFAOYSA-N 1 1 454.376 3.396 20 0 JGADMO CN(Cc1cnccn1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298410820 1064240387 /nfs/dbraw/zinc/24/03/87/1064240387.db2.gz XXASEOLJQPZCIH-UHFFFAOYSA-N 1 1 462.646 3.111 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccccc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001298449112 1064256927 /nfs/dbraw/zinc/25/69/27/1064256927.db2.gz CPOZWMIQHUDTMT-UHFFFAOYSA-N 1 1 491.999 3.130 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001298449112 1064256934 /nfs/dbraw/zinc/25/69/34/1064256934.db2.gz CPOZWMIQHUDTMT-UHFFFAOYSA-N 1 1 491.999 3.130 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298547935 1064310567 /nfs/dbraw/zinc/31/05/67/1064310567.db2.gz XOKMBVWQEOSMFD-BHDDXSALSA-N 1 1 476.710 3.228 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298547935 1064310577 /nfs/dbraw/zinc/31/05/77/1064310577.db2.gz XOKMBVWQEOSMFD-BHDDXSALSA-N 1 1 476.710 3.228 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298547935 1064310590 /nfs/dbraw/zinc/31/05/90/1064310590.db2.gz XOKMBVWQEOSMFD-BHDDXSALSA-N 1 1 476.710 3.228 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001298553325 1064318904 /nfs/dbraw/zinc/31/89/04/1064318904.db2.gz AKLKGROCFNRTST-LJQANCHMSA-N 1 1 475.659 3.086 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001298557294 1064321934 /nfs/dbraw/zinc/32/19/34/1064321934.db2.gz FIBGLTKSDODQOU-GOSISDBHSA-N 1 1 463.573 3.121 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001298557294 1064321943 /nfs/dbraw/zinc/32/19/43/1064321943.db2.gz FIBGLTKSDODQOU-GOSISDBHSA-N 1 1 463.573 3.121 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(CCCc2ccccc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298559139 1064323522 /nfs/dbraw/zinc/32/35/22/1064323522.db2.gz CNHCQMJJAUGVTJ-QHCPKHFHSA-N 1 1 455.647 3.427 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298559139 1064323532 /nfs/dbraw/zinc/32/35/32/1064323532.db2.gz CNHCQMJJAUGVTJ-QHCPKHFHSA-N 1 1 455.647 3.427 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCOC2)n1CCC(=O)NC(C)(C)C ZINC001298565355 1064335283 /nfs/dbraw/zinc/33/52/83/1064335283.db2.gz BPTMHMGSFWGMFT-VXKWHMMOSA-N 1 1 468.646 3.045 20 0 JGADMO CC(C)N1CC[NH+](CCC(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC001298567452 1064338741 /nfs/dbraw/zinc/33/87/41/1064338741.db2.gz WLQWGGZILAAGPG-DHLKQENFSA-N 1 1 455.574 3.109 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(-c2cccnc2)n1CCNC(=O)C(C)(C)C ZINC001298568372 1064341864 /nfs/dbraw/zinc/34/18/64/1064341864.db2.gz UTKKXYPVJBGMKQ-QFIPXVFZSA-N 1 1 475.641 3.461 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)Br ZINC001298568687 1064342395 /nfs/dbraw/zinc/34/23/95/1064342395.db2.gz XVJGCXBZIVFKMM-DLBZAZTESA-N 1 1 497.388 3.175 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298569447 1064343156 /nfs/dbraw/zinc/34/31/56/1064343156.db2.gz BEUUMOKJEKLLGZ-OAHLLOKOSA-N 1 1 484.464 3.353 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCOCC1(C)C ZINC001298569447 1064343171 /nfs/dbraw/zinc/34/31/71/1064343171.db2.gz BEUUMOKJEKLLGZ-OAHLLOKOSA-N 1 1 484.464 3.353 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(Br)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298570330 1064344742 /nfs/dbraw/zinc/34/47/42/1064344742.db2.gz HKCNAHWDOWCXGR-GHTZIAJQSA-N 1 1 492.462 3.417 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298570767 1064345427 /nfs/dbraw/zinc/34/54/27/1064345427.db2.gz JTYSRTKGWUJWHH-MRXNPFEDSA-N 1 1 496.425 3.430 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1CCOCC1 ZINC001298570700 1064345460 /nfs/dbraw/zinc/34/54/60/1064345460.db2.gz IRFLPLOIPUGDOH-INIZCTEOSA-N 1 1 482.398 3.042 20 0 JGADMO CN(CC1CCOCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298577024 1064349986 /nfs/dbraw/zinc/34/99/86/1064349986.db2.gz FDKGKUZMUTYSCU-QFIPXVFZSA-N 1 1 489.686 3.332 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(Cl)c2)n1CCC[NH+]1CCOCC1 ZINC001298583740 1064357041 /nfs/dbraw/zinc/35/70/41/1064357041.db2.gz RLIFUALRWDIQQF-UHFFFAOYSA-N 1 1 464.010 3.156 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001298583518 1064357078 /nfs/dbraw/zinc/35/70/78/1064357078.db2.gz NKPNEVURWABYQV-QFIPXVFZSA-N 1 1 471.646 3.026 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001298592918 1064366356 /nfs/dbraw/zinc/36/63/56/1064366356.db2.gz UGYPAXUDVYRXJS-UHFFFAOYSA-N 1 1 456.538 3.023 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001298592918 1064366364 /nfs/dbraw/zinc/36/63/64/1064366364.db2.gz UGYPAXUDVYRXJS-UHFFFAOYSA-N 1 1 456.538 3.023 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298593918 1064368794 /nfs/dbraw/zinc/36/87/94/1064368794.db2.gz NPUQPFNICPOOQI-LJQANCHMSA-N 1 1 475.519 3.415 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001298595473 1064371122 /nfs/dbraw/zinc/37/11/22/1064371122.db2.gz GDVAYXQARKQGTK-QZTJIDSGSA-N 1 1 450.509 3.282 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001298595472 1064371361 /nfs/dbraw/zinc/37/13/61/1064371361.db2.gz GDVAYXQARKQGTK-MSOLQXFVSA-N 1 1 450.509 3.282 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001298601857 1064376764 /nfs/dbraw/zinc/37/67/64/1064376764.db2.gz PUGQQGJBNLDCAT-INIZCTEOSA-N 1 1 464.542 3.214 20 0 JGADMO CN(CCC(F)F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001298608844 1064380632 /nfs/dbraw/zinc/38/06/32/1064380632.db2.gz MKOBQLYHXKSOSA-SJLPKXTDSA-N 1 1 459.607 3.069 20 0 JGADMO CN(CCC(F)F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001298608841 1064380647 /nfs/dbraw/zinc/38/06/47/1064380647.db2.gz MKOBQLYHXKSOSA-AEFFLSMTSA-N 1 1 459.607 3.069 20 0 JGADMO CN(CCc1nccs1)c1nnc(CC(C)(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001298637613 1064410712 /nfs/dbraw/zinc/41/07/12/1064410712.db2.gz KRQLFLVILMKZDX-JOCHJYFZSA-N 1 1 464.705 3.210 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCOCC1 ZINC001298645423 1064418064 /nfs/dbraw/zinc/41/80/64/1064418064.db2.gz AKKJPJJUESVUFW-UHFFFAOYSA-N 1 1 481.439 3.011 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(C(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001298646744 1064419736 /nfs/dbraw/zinc/41/97/36/1064419736.db2.gz KJHIQAPXMFDRFC-UHFFFAOYSA-N 1 1 469.678 3.436 20 0 JGADMO C[N@@H+](CCCn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CCCCC1 ZINC001298670491 1064453700 /nfs/dbraw/zinc/45/37/00/1064453700.db2.gz UIPXIFXKFKXXNH-UHFFFAOYSA-N 1 1 460.648 3.008 20 0 JGADMO CN(CCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1)CC(F)(F)F ZINC001298672461 1064457124 /nfs/dbraw/zinc/45/71/24/1064457124.db2.gz TVXHKDKHLRWBQU-QGZVFWFLSA-N 1 1 472.581 3.050 20 0 JGADMO C[N@@H+](CCCn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298676177 1064464537 /nfs/dbraw/zinc/46/45/37/1064464537.db2.gz RIBPJCCVJVZXRS-HSZRJFAPSA-N 1 1 488.702 3.322 20 0 JGADMO CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001298678850 1064468171 /nfs/dbraw/zinc/46/81/71/1064468171.db2.gz HOHZIACZUBLZNA-BHDDXSALSA-N 1 1 495.734 3.475 20 0 JGADMO C[N@@H+](CCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298679154 1064469204 /nfs/dbraw/zinc/46/92/04/1064469204.db2.gz KKAMTJMWLSJMNI-XMMPIXPASA-N 1 1 459.660 3.113 20 0 JGADMO C[N@@H+](CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001298679645 1064469802 /nfs/dbraw/zinc/46/98/02/1064469802.db2.gz NRJWWRYMTXHBMV-GOSISDBHSA-N 1 1 475.037 3.477 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001298689322 1064485238 /nfs/dbraw/zinc/48/52/38/1064485238.db2.gz AEMHMFGIMCDLGI-GOSISDBHSA-N 1 1 477.034 3.167 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298693092 1064493743 /nfs/dbraw/zinc/49/37/43/1064493743.db2.gz ZNFISVDCEBHGMR-UHFFFAOYSA-N 1 1 499.685 3.124 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001298695819 1064494589 /nfs/dbraw/zinc/49/45/89/1064494589.db2.gz DSCBZIOCLLKXPR-PWRODBHTSA-N 1 1 481.707 3.085 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001298695819 1064494598 /nfs/dbraw/zinc/49/45/98/1064494598.db2.gz DSCBZIOCLLKXPR-PWRODBHTSA-N 1 1 481.707 3.085 20 0 JGADMO C[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)Cc1ccccc1 ZINC001298697200 1064498133 /nfs/dbraw/zinc/49/81/33/1064498133.db2.gz BVMMOHKVBBSAGL-HXUWFJFHSA-N 1 1 494.562 3.194 20 0 JGADMO C[N@@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CCCC1 ZINC001298697205 1064498281 /nfs/dbraw/zinc/49/82/81/1064498281.db2.gz CAZKIGQBBVGKJD-JOCHJYFZSA-N 1 1 493.425 3.423 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)cn1 ZINC001298704164 1064506588 /nfs/dbraw/zinc/50/65/88/1064506588.db2.gz JMQOHPPUAZGZPS-IBGZPJMESA-N 1 1 486.665 3.294 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CCCCC1 ZINC001298704810 1064509055 /nfs/dbraw/zinc/50/90/55/1064509055.db2.gz YGANYVRNUOLSKU-MRXNPFEDSA-N 1 1 467.540 3.043 20 0 JGADMO Cn1cccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298705296 1064509459 /nfs/dbraw/zinc/50/94/59/1064509459.db2.gz UESNRMMRZLZNNJ-UHFFFAOYSA-N 1 1 496.635 3.185 20 0 JGADMO C[N@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298708732 1064514330 /nfs/dbraw/zinc/51/43/30/1064514330.db2.gz NTCQVBKWARYJRC-FCHUYYIVSA-N 1 1 475.659 3.055 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298708732 1064514346 /nfs/dbraw/zinc/51/43/46/1064514346.db2.gz NTCQVBKWARYJRC-FCHUYYIVSA-N 1 1 475.659 3.055 20 0 JGADMO C[N@@H+](CCn1c(C2CCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC001298708289 1064514628 /nfs/dbraw/zinc/51/46/28/1064514628.db2.gz KKYLZQYYMWFHEL-UHFFFAOYSA-N 1 1 453.635 3.308 20 0 JGADMO CN(CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccsc2)CC1)C(=O)OC(C)(C)C ZINC001298713533 1064521995 /nfs/dbraw/zinc/52/19/95/1064521995.db2.gz ZGSCWDTYNWLCTD-UHFFFAOYSA-N 1 1 460.648 3.481 20 0 JGADMO C[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)Cc1ccccc1 ZINC001298713925 1064522315 /nfs/dbraw/zinc/52/23/15/1064522315.db2.gz IHDDTVBOOBEKTD-FCHUYYIVSA-N 1 1 489.686 3.096 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)Cc1ccccc1 ZINC001298713925 1064522331 /nfs/dbraw/zinc/52/23/31/1064522331.db2.gz IHDDTVBOOBEKTD-FCHUYYIVSA-N 1 1 489.686 3.096 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC001298714214 1064523383 /nfs/dbraw/zinc/52/33/83/1064523383.db2.gz LGKTWWGWQGRBLJ-IAGOWNOFSA-N 1 1 477.597 3.223 20 0 JGADMO CN(CCn1c(CCc2ccccc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298716424 1064525718 /nfs/dbraw/zinc/52/57/18/1064525718.db2.gz BNNGITJQVZLEAD-MHZLTWQESA-N 1 1 498.672 3.231 20 0 JGADMO C[N@@H+](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1)C1CCCC1 ZINC001298716378 1064525820 /nfs/dbraw/zinc/52/58/20/1064525820.db2.gz AFILWPJRAOBLOF-OAHLLOKOSA-N 1 1 481.428 3.350 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCSC1 ZINC001298727253 1064536158 /nfs/dbraw/zinc/53/61/58/1064536158.db2.gz DHNKILNPPQNDTO-QFIPXVFZSA-N 1 1 466.051 3.014 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCSC1 ZINC001298727253 1064536174 /nfs/dbraw/zinc/53/61/74/1064536174.db2.gz DHNKILNPPQNDTO-QFIPXVFZSA-N 1 1 466.051 3.014 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCSC1 ZINC001298727251 1064536440 /nfs/dbraw/zinc/53/64/40/1064536440.db2.gz DHNKILNPPQNDTO-JOCHJYFZSA-N 1 1 466.051 3.014 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCSC1 ZINC001298727251 1064536456 /nfs/dbraw/zinc/53/64/56/1064536456.db2.gz DHNKILNPPQNDTO-JOCHJYFZSA-N 1 1 466.051 3.014 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2F)n1CCC(=O)N1CCCCC1 ZINC001298727633 1064537194 /nfs/dbraw/zinc/53/71/94/1064537194.db2.gz IDMKUPBUWFCMLH-UHFFFAOYSA-N 1 1 472.609 3.034 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2F)n1CCC(=O)N1CCCCC1 ZINC001298727633 1064537206 /nfs/dbraw/zinc/53/72/06/1064537206.db2.gz IDMKUPBUWFCMLH-UHFFFAOYSA-N 1 1 472.609 3.034 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2)n1CC(F)(F)Br ZINC001298727851 1064537940 /nfs/dbraw/zinc/53/79/40/1064537940.db2.gz JSDCRUKUJKZBML-UHFFFAOYSA-N 1 1 458.351 3.480 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2)n1CC(F)(F)Br ZINC001298727851 1064537955 /nfs/dbraw/zinc/53/79/55/1064537955.db2.gz JSDCRUKUJKZBML-UHFFFAOYSA-N 1 1 458.351 3.480 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2F)n1CCCN1CCCCCC1=O ZINC001298728008 1064538817 /nfs/dbraw/zinc/53/88/17/1064538817.db2.gz LLJINUIGMZYCSG-UHFFFAOYSA-N 1 1 486.636 3.424 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2F)n1CCCN1CCCCCC1=O ZINC001298728008 1064538833 /nfs/dbraw/zinc/53/88/33/1064538833.db2.gz LLJINUIGMZYCSG-UHFFFAOYSA-N 1 1 486.636 3.424 20 0 JGADMO C[N@@H+](CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1)Cc1ccccc1 ZINC001298728087 1064539036 /nfs/dbraw/zinc/53/90/36/1064539036.db2.gz MHQJUGHZXHZUSD-QHCPKHFHSA-N 1 1 495.716 3.035 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)cc1 ZINC001298728269 1064539705 /nfs/dbraw/zinc/53/97/05/1064539705.db2.gz OEBLAVQSCBVRFP-UHFFFAOYSA-N 1 1 484.004 3.174 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)cc1 ZINC001298728269 1064539721 /nfs/dbraw/zinc/53/97/21/1064539721.db2.gz OEBLAVQSCBVRFP-UHFFFAOYSA-N 1 1 484.004 3.174 20 0 JGADMO C[N@@H+](CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC[S@@](=O)C(C)(C)C)CC1)Cc1ccccc1 ZINC001298728398 1064541065 /nfs/dbraw/zinc/54/10/65/1064541065.db2.gz SBANWHGWVVBBSY-PGUFJCEWSA-N 1 1 497.713 3.074 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001298728530 1064541220 /nfs/dbraw/zinc/54/12/20/1064541220.db2.gz WDWMSGNIDDUAEA-UHFFFAOYSA-N 1 1 495.525 3.432 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001298728530 1064541234 /nfs/dbraw/zinc/54/12/34/1064541234.db2.gz WDWMSGNIDDUAEA-UHFFFAOYSA-N 1 1 495.525 3.432 20 0 JGADMO CN(CCn1cccn1)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298728393 1064541310 /nfs/dbraw/zinc/54/13/10/1064541310.db2.gz RVVIQOQQXVXFNB-UHFFFAOYSA-N 1 1 455.582 3.451 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCCCC1 ZINC001298728559 1064541789 /nfs/dbraw/zinc/54/17/89/1064541789.db2.gz WURQAQFPPDPYRP-UHFFFAOYSA-N 1 1 489.686 3.476 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCCCC1 ZINC001298728559 1064541802 /nfs/dbraw/zinc/54/18/02/1064541802.db2.gz WURQAQFPPDPYRP-UHFFFAOYSA-N 1 1 489.686 3.476 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)COCCO1 ZINC001298728676 1064542034 /nfs/dbraw/zinc/54/20/34/1064542034.db2.gz ZHSQGKZCIXDORL-QHCPKHFHSA-N 1 1 482.000 3.090 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)COCCO1 ZINC001298728676 1064542046 /nfs/dbraw/zinc/54/20/46/1064542046.db2.gz ZHSQGKZCIXDORL-QHCPKHFHSA-N 1 1 482.000 3.090 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccsc2)n1CCCOC(F)(F)F ZINC001298729317 1064543301 /nfs/dbraw/zinc/54/33/01/1064543301.db2.gz GVPBEHQGFCNKMP-UHFFFAOYSA-N 1 1 461.554 3.404 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccsc2)n1CCCOC(F)(F)F ZINC001298729317 1064543313 /nfs/dbraw/zinc/54/33/13/1064543313.db2.gz GVPBEHQGFCNKMP-UHFFFAOYSA-N 1 1 461.554 3.404 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1Cc1nc(C(F)(F)F)cs1 ZINC001298729406 1064543826 /nfs/dbraw/zinc/54/38/26/1064543826.db2.gz INIFXDLQDYCPPO-UHFFFAOYSA-N 1 1 495.575 3.335 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1Cc1nc(C(F)(F)F)cs1 ZINC001298729406 1064543842 /nfs/dbraw/zinc/54/38/42/1064543842.db2.gz INIFXDLQDYCPPO-UHFFFAOYSA-N 1 1 495.575 3.335 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1CCSCc1ccccc1F ZINC001298729647 1064544165 /nfs/dbraw/zinc/54/41/65/1064544165.db2.gz KERROIMHWSHOTE-IBGZPJMESA-N 1 1 477.650 3.402 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1CCSCc1ccccc1F ZINC001298729647 1064544180 /nfs/dbraw/zinc/54/41/80/1064544180.db2.gz KERROIMHWSHOTE-IBGZPJMESA-N 1 1 477.650 3.402 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1 ZINC001298730394 1064545416 /nfs/dbraw/zinc/54/54/16/1064545416.db2.gz YPXZDLLVCPWNNF-CPJSRVTESA-N 1 1 463.667 3.050 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1 ZINC001298730394 1064545432 /nfs/dbraw/zinc/54/54/32/1064545432.db2.gz YPXZDLLVCPWNNF-CPJSRVTESA-N 1 1 463.667 3.050 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001298730119 1064545553 /nfs/dbraw/zinc/54/55/53/1064545553.db2.gz RXLKGLLUBGZJMI-BWKNWUBXSA-N 1 1 475.609 3.114 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001298730119 1064545567 /nfs/dbraw/zinc/54/55/67/1064545567.db2.gz RXLKGLLUBGZJMI-BWKNWUBXSA-N 1 1 475.609 3.114 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2noc3c2COCC3)n1CCCC(C)(C)C ZINC001298730422 1064546359 /nfs/dbraw/zinc/54/63/59/1064546359.db2.gz ZHMQIYKXWKFQCY-UHFFFAOYSA-N 1 1 460.623 3.379 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2noc3c2COCC3)n1CCCC(C)(C)C ZINC001298730422 1064546372 /nfs/dbraw/zinc/54/63/72/1064546372.db2.gz ZHMQIYKXWKFQCY-UHFFFAOYSA-N 1 1 460.623 3.379 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001298732637 1064547551 /nfs/dbraw/zinc/54/75/51/1064547551.db2.gz CZFAZABSVBWFHL-QGZVFWFLSA-N 1 1 498.550 3.169 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001298732637 1064547569 /nfs/dbraw/zinc/54/75/69/1064547569.db2.gz CZFAZABSVBWFHL-QGZVFWFLSA-N 1 1 498.550 3.169 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001298733503 1064549167 /nfs/dbraw/zinc/54/91/67/1064549167.db2.gz PVHMZGXNCHAGHV-HXUWFJFHSA-N 1 1 472.634 3.297 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001298733503 1064549182 /nfs/dbraw/zinc/54/91/82/1064549182.db2.gz PVHMZGXNCHAGHV-HXUWFJFHSA-N 1 1 472.634 3.297 20 0 JGADMO CN(CCN1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298737237 1064552269 /nfs/dbraw/zinc/55/22/69/1064552269.db2.gz AFZCQXFIBBWGBX-XMMPIXPASA-N 1 1 468.690 3.200 20 0 JGADMO CN(CCN1CCOCC1)c1nnc(Cc2ccccc2F)n1CC[N@@H+](C)C1CCCCC1 ZINC001298738881 1064553574 /nfs/dbraw/zinc/55/35/74/1064553574.db2.gz PXZHUQYVOXBHQR-UHFFFAOYSA-N 1 1 458.626 3.041 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001298749649 1064560678 /nfs/dbraw/zinc/56/06/78/1064560678.db2.gz FVWQMQIEQIXHIG-UHFFFAOYSA-N 1 1 452.603 3.405 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001298753734 1064563330 /nfs/dbraw/zinc/56/33/30/1064563330.db2.gz UOINGHMQIPALFL-XZOQPEGZSA-N 1 1 471.646 3.038 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001298753985 1064563990 /nfs/dbraw/zinc/56/39/90/1064563990.db2.gz ZHFLDDVRBMLYHG-OALUTQOASA-N 1 1 495.715 3.330 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001298753984 1064564030 /nfs/dbraw/zinc/56/40/30/1064564030.db2.gz ZHFLDDVRBMLYHG-MOPGFXCFSA-N 1 1 495.715 3.330 20 0 JGADMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC001298756227 1064566165 /nfs/dbraw/zinc/56/61/65/1064566165.db2.gz JJSDXHMQISKBSR-UHFFFAOYSA-N 1 1 452.942 3.050 20 0 JGADMO CN(CCOc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298760707 1064569435 /nfs/dbraw/zinc/56/94/35/1064569435.db2.gz QGHZBIULQURTCF-UHFFFAOYSA-N 1 1 468.577 3.029 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298761837 1064571206 /nfs/dbraw/zinc/57/12/06/1064571206.db2.gz XIWIOMQWVZITGG-GOSISDBHSA-N 1 1 464.010 3.061 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001298761837 1064571222 /nfs/dbraw/zinc/57/12/22/1064571222.db2.gz XIWIOMQWVZITGG-GOSISDBHSA-N 1 1 464.010 3.061 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc(Cc2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298761975 1064571791 /nfs/dbraw/zinc/57/17/91/1064571791.db2.gz ZATLXXSXVCPAAL-UHFFFAOYSA-N 1 1 498.075 3.459 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298761975 1064571806 /nfs/dbraw/zinc/57/18/06/1064571806.db2.gz ZATLXXSXVCPAAL-UHFFFAOYSA-N 1 1 498.075 3.459 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298761975 1064571825 /nfs/dbraw/zinc/57/18/25/1064571825.db2.gz ZATLXXSXVCPAAL-UHFFFAOYSA-N 1 1 498.075 3.459 20 0 JGADMO Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001298763740 1064572233 /nfs/dbraw/zinc/57/22/33/1064572233.db2.gz MGMNUIZSPNHUOM-LJQANCHMSA-N 1 1 455.580 3.317 20 0 JGADMO CN(CCS(C)(=O)=O)c1nnc(-c2ccccc2Br)n1CC[N@@H+](C)C1CCCCC1 ZINC001298776202 1064582662 /nfs/dbraw/zinc/58/26/62/1064582662.db2.gz MQDKXEIMOVZUCO-UHFFFAOYSA-N 1 1 498.491 3.453 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(COc2ccc(F)cc2)n1CCC(C)(C)O ZINC001298782020 1064585866 /nfs/dbraw/zinc/58/58/66/1064585866.db2.gz KMBGWARJWIRSDA-YADARESESA-N 1 1 499.635 3.410 20 0 JGADMO CN(OC1CCCC1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298790045 1064591187 /nfs/dbraw/zinc/59/11/87/1064591187.db2.gz JQAFSUVUBNOTEG-QGZVFWFLSA-N 1 1 481.439 3.203 20 0 JGADMO CN(OC1CCCC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001298793661 1064593124 /nfs/dbraw/zinc/59/31/24/1064593124.db2.gz WDWYHOVYBBKVFG-FQEVSTJZSA-N 1 1 476.622 3.159 20 0 JGADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)C2 ZINC001298816004 1064618190 /nfs/dbraw/zinc/61/81/90/1064618190.db2.gz JUYCHZLXPQLCKF-NVQXNPDNSA-N 1 1 457.615 3.434 20 0 JGADMO Cn1cc(C2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)CC2)cn1 ZINC001298824340 1064625356 /nfs/dbraw/zinc/62/53/56/1064625356.db2.gz LILWVKACCKGDSU-JOCHJYFZSA-N 1 1 457.667 3.221 20 0 JGADMO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)cc1 ZINC001298845305 1064649304 /nfs/dbraw/zinc/64/93/04/1064649304.db2.gz AOLAZVSPOLGCKI-FQEVSTJZSA-N 1 1 458.628 3.239 20 0 JGADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001298846881 1064650403 /nfs/dbraw/zinc/65/04/03/1064650403.db2.gz QFZCILFBLYWYMN-ZEQKJWHPSA-N 1 1 450.583 3.411 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC(C)(C)C(F)(F)F ZINC001298861079 1064664671 /nfs/dbraw/zinc/66/46/71/1064664671.db2.gz FYKBHLMBCLVZSO-UHFFFAOYSA-N 1 1 481.567 3.007 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC(C)(C)C(F)(F)F ZINC001298861079 1064664682 /nfs/dbraw/zinc/66/46/82/1064664682.db2.gz FYKBHLMBCLVZSO-UHFFFAOYSA-N 1 1 481.567 3.007 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC=CCC2)C1 ZINC001298877078 1064681539 /nfs/dbraw/zinc/68/15/39/1064681539.db2.gz ASYUGUQSUZOILK-LJQANCHMSA-N 1 1 452.784 3.194 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298877132 1064681566 /nfs/dbraw/zinc/68/15/66/1064681566.db2.gz BZUBHNTZGQJJIZ-KDYSTLNUSA-N 1 1 498.672 3.413 20 0 JGADMO CN(CCCOc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298877460 1064682532 /nfs/dbraw/zinc/68/25/32/1064682532.db2.gz FUFYCVLTZREYFP-QHCPKHFHSA-N 1 1 474.968 3.105 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(F)(F)CC2)C1 ZINC001298877560 1064682569 /nfs/dbraw/zinc/68/25/69/1064682569.db2.gz HDDRZIBDDBWMBF-GOSISDBHSA-N 1 1 456.335 3.010 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC001298878208 1064683309 /nfs/dbraw/zinc/68/33/09/1064683309.db2.gz KMAIXIXLEIFBSU-XMSQKQJNSA-N 1 1 478.435 3.026 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298879961 1064685715 /nfs/dbraw/zinc/68/57/15/1064685715.db2.gz SWBJCAUJJDDOBZ-OAQYLSRUSA-N 1 1 495.372 3.027 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001298879967 1064685780 /nfs/dbraw/zinc/68/57/80/1064685780.db2.gz TUJQISDIUYOEOH-NHCUHLMSSA-N 1 1 498.491 3.477 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298879960 1064685813 /nfs/dbraw/zinc/68/58/13/1064685813.db2.gz SWBJCAUJJDDOBZ-NRFANRHFSA-N 1 1 495.372 3.027 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001298879968 1064685948 /nfs/dbraw/zinc/68/59/48/1064685948.db2.gz TUJQISDIUYOEOH-RTWAWAEBSA-N 1 1 498.491 3.477 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298881195 1064686935 /nfs/dbraw/zinc/68/69/35/1064686935.db2.gz DAMUPVFQVJMHAM-AOMKIAJQSA-N 1 1 484.428 3.093 20 0 JGADMO CN(c1nnc(-c2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@@H](CF)c1ccc(Br)cc1 ZINC001298881071 1064686989 /nfs/dbraw/zinc/68/69/89/1064686989.db2.gz ZOCIQAKTWLVZDV-UGKGYDQZSA-N 1 1 489.393 3.316 20 0 JGADMO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298886102 1064692802 /nfs/dbraw/zinc/69/28/02/1064692802.db2.gz CULHILOGIHUYDA-NJDAHSKKSA-N 1 1 495.734 3.331 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298886102 1064692807 /nfs/dbraw/zinc/69/28/07/1064692807.db2.gz CULHILOGIHUYDA-NJDAHSKKSA-N 1 1 495.734 3.331 20 0 JGADMO C[C@H]1[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@H+]1Cc1ccccc1 ZINC001298885979 1064692890 /nfs/dbraw/zinc/69/28/90/1064692890.db2.gz HQRVTAGCLTWCGG-GOEBONIOSA-N 1 1 450.402 3.362 20 0 JGADMO CN(CCCc1cc(-c2ccccc2)no1)c1nnc(C(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298885818 1064692986 /nfs/dbraw/zinc/69/29/86/1064692986.db2.gz MANJQSPDJHYTMF-RUZDIDTESA-N 1 1 452.603 3.366 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886369 1064694177 /nfs/dbraw/zinc/69/41/77/1064694177.db2.gz GCWZHOXUITZVFK-IRXDYDNUSA-N 1 1 457.541 3.250 20 0 JGADMO CN(C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001298886721 1064694996 /nfs/dbraw/zinc/69/49/96/1064694996.db2.gz RLWWYROKTRYNLJ-OAQYLSRUSA-N 1 1 492.665 3.065 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001298887444 1064696605 /nfs/dbraw/zinc/69/66/05/1064696605.db2.gz JXSARNBLCSSDDE-MOPGFXCFSA-N 1 1 465.689 3.064 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCOC2CCCCC2)CC1 ZINC001298889999 1064699532 /nfs/dbraw/zinc/69/95/32/1064699532.db2.gz YDEXWBNCTPYGKK-NRFANRHFSA-N 1 1 460.667 3.058 20 0 JGADMO C[N@H+]1CCN(CCn2c(CCc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1(C)C ZINC001298896245 1064702965 /nfs/dbraw/zinc/70/29/65/1064702965.db2.gz GSMZLGVGZDXNEX-UHFFFAOYSA-N 1 1 468.690 3.483 20 0 JGADMO CN1CC[N@H+](CCn2c(CCc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1(C)C ZINC001298896245 1064702977 /nfs/dbraw/zinc/70/29/77/1064702977.db2.gz GSMZLGVGZDXNEX-UHFFFAOYSA-N 1 1 468.690 3.483 20 0 JGADMO CN1CC[N@@H+](CCn2c(CCc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1(C)C ZINC001298896245 1064702993 /nfs/dbraw/zinc/70/29/93/1064702993.db2.gz GSMZLGVGZDXNEX-UHFFFAOYSA-N 1 1 468.690 3.483 20 0 JGADMO C[N@H+]1CCN(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001298896870 1064703675 /nfs/dbraw/zinc/70/36/75/1064703675.db2.gz IRLVABCDDHSPSY-QZTJIDSGSA-N 1 1 458.573 3.324 20 0 JGADMO C[N@H+]1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)CC1(C)C ZINC001298898158 1064704758 /nfs/dbraw/zinc/70/47/58/1064704758.db2.gz SWGBTLMLGXLOON-INIZCTEOSA-N 1 1 457.450 3.097 20 0 JGADMO CN1CC[N@H+](CCn2c([C@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)CC1(C)C ZINC001298898158 1064704775 /nfs/dbraw/zinc/70/47/75/1064704775.db2.gz SWGBTLMLGXLOON-INIZCTEOSA-N 1 1 457.450 3.097 20 0 JGADMO CN1CC[N@@H+](CCn2c([C@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)CC1(C)C ZINC001298898158 1064704790 /nfs/dbraw/zinc/70/47/90/1064704790.db2.gz SWGBTLMLGXLOON-INIZCTEOSA-N 1 1 457.450 3.097 20 0 JGADMO C[NH+](C)[C@H](C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 ZINC001298910768 1064711937 /nfs/dbraw/zinc/71/19/37/1064711937.db2.gz YJTDXJLDBWBZRZ-UXHICEINSA-N 1 1 451.011 3.096 20 0 JGADMO C[NH+](C)[C@@H](C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 ZINC001298910774 1064712216 /nfs/dbraw/zinc/71/22/16/1064712216.db2.gz YJTDXJLDBWBZRZ-WOJBJXKFSA-N 1 1 451.011 3.096 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001298914704 1064714043 /nfs/dbraw/zinc/71/40/43/1064714043.db2.gz CCBYHIRFHNJGNT-MSOLQXFVSA-N 1 1 493.052 3.001 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001298921752 1064722599 /nfs/dbraw/zinc/72/25/99/1064722599.db2.gz OBROPDPGVFHIAJ-UHFFFAOYSA-N 1 1 498.031 3.097 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001298951566 1064743053 /nfs/dbraw/zinc/74/30/53/1064743053.db2.gz RWMNYBPLOVZKMM-JOCHJYFZSA-N 1 1 468.646 3.250 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001298965469 1064753414 /nfs/dbraw/zinc/75/34/14/1064753414.db2.gz GLSGREKTQJUYDB-YESZJQIVSA-N 1 1 495.043 3.444 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001298967407 1064757980 /nfs/dbraw/zinc/75/79/80/1064757980.db2.gz QPPJEIBNYOHIOM-OALUTQOASA-N 1 1 456.635 3.283 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001298967409 1064758080 /nfs/dbraw/zinc/75/80/80/1064758080.db2.gz QPPJEIBNYOHIOM-RTBURBONSA-N 1 1 456.635 3.283 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001298968365 1064758822 /nfs/dbraw/zinc/75/88/22/1064758822.db2.gz YDYJMCGXAVISNM-ROUUACIJSA-N 1 1 462.042 3.466 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2OC)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001298970218 1064761320 /nfs/dbraw/zinc/76/13/20/1064761320.db2.gz NHRYAAZBXPLVJJ-MOPGFXCFSA-N 1 1 456.635 3.283 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001298981165 1064768211 /nfs/dbraw/zinc/76/82/11/1064768211.db2.gz CDKOYJOMJSZNHE-QGZVFWFLSA-N 1 1 487.073 3.460 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001298992337 1064775581 /nfs/dbraw/zinc/77/55/81/1064775581.db2.gz LRYQCLMGXRLOAE-SFTDATJTSA-N 1 1 482.673 3.098 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001298992337 1064775596 /nfs/dbraw/zinc/77/55/96/1064775596.db2.gz LRYQCLMGXRLOAE-SFTDATJTSA-N 1 1 482.673 3.098 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001299002161 1064781238 /nfs/dbraw/zinc/78/12/38/1064781238.db2.gz MVFVXIQZCZTFEP-RBUKOAKNSA-N 1 1 467.643 3.471 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001299002162 1064781484 /nfs/dbraw/zinc/78/14/84/1064781484.db2.gz MVFVXIQZCZTFEP-RTBURBONSA-N 1 1 467.643 3.471 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001299002722 1064781543 /nfs/dbraw/zinc/78/15/43/1064781543.db2.gz NAGOOXRGYUOFID-IFMALSPDSA-N 1 1 468.646 3.309 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001299003291 1064782671 /nfs/dbraw/zinc/78/26/71/1064782671.db2.gz RYWTWHAMKKAFFX-VLCRHTCISA-N 1 1 470.662 3.413 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001299004843 1064786390 /nfs/dbraw/zinc/78/63/90/1064786390.db2.gz GVHFGNVYYXPIRM-ZHRRBRCNSA-N 1 1 475.435 3.154 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299004867 1064786429 /nfs/dbraw/zinc/78/64/29/1064786429.db2.gz GXDYBYOQICMUCS-RHGYRFJNSA-N 1 1 475.037 3.060 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299005522 1064788102 /nfs/dbraw/zinc/78/81/02/1064788102.db2.gz JLJXATAVQNUUCV-HXOBKFHXSA-N 1 1 489.462 3.402 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001299015433 1064798407 /nfs/dbraw/zinc/79/84/07/1064798407.db2.gz HWQLESAHUXMDSX-RUZDIDTESA-N 1 1 454.619 3.181 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001299016265 1064800784 /nfs/dbraw/zinc/80/07/84/1064800784.db2.gz WUXJCAORWFIMOD-AFMDSPMNSA-N 1 1 484.645 3.045 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001299020000 1064803519 /nfs/dbraw/zinc/80/35/19/1064803519.db2.gz HRRSVWFPQABEQZ-AREMUKBSSA-N 1 1 461.614 3.133 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299028333 1064812363 /nfs/dbraw/zinc/81/23/63/1064812363.db2.gz KJLAJXJSBUDBGA-AFMDSPMNSA-N 1 1 470.637 3.481 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299029024 1064814670 /nfs/dbraw/zinc/81/46/70/1064814670.db2.gz QTWZKYSKYYTCDI-KDYSTLNUSA-N 1 1 482.673 3.373 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCn2cc[nH+]c2C)cc1 ZINC001299039083 1064828165 /nfs/dbraw/zinc/82/81/65/1064828165.db2.gz DWNYUVPSIRRONQ-UHFFFAOYSA-N 1 1 497.401 3.237 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001299040448 1064829999 /nfs/dbraw/zinc/82/99/99/1064829999.db2.gz NTYYHXBVOTWRKD-HXUWFJFHSA-N 1 1 480.613 3.343 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(CC3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001299043935 1064836633 /nfs/dbraw/zinc/83/66/33/1064836633.db2.gz DLILIBBSYWRMRK-UHFFFAOYSA-N 1 1 481.689 3.033 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(CC3CCCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001299043935 1064836643 /nfs/dbraw/zinc/83/66/43/1064836643.db2.gz DLILIBBSYWRMRK-UHFFFAOYSA-N 1 1 481.689 3.033 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(CC3CCCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001299043935 1064836651 /nfs/dbraw/zinc/83/66/51/1064836651.db2.gz DLILIBBSYWRMRK-UHFFFAOYSA-N 1 1 481.689 3.033 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001299044486 1064837186 /nfs/dbraw/zinc/83/71/86/1064837186.db2.gz IQIDLKNORPMRJQ-TZYAJKAJSA-N 1 1 498.672 3.119 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001299070932 1064869283 /nfs/dbraw/zinc/86/92/83/1064869283.db2.gz BNTPLLXHGNZSKZ-GJZGRUSLSA-N 1 1 481.464 3.216 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299086287 1064891656 /nfs/dbraw/zinc/89/16/56/1064891656.db2.gz OWPINOSDDGNWCH-YADHBBJMSA-N 1 1 470.637 3.338 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299091654 1064897437 /nfs/dbraw/zinc/89/74/37/1064897437.db2.gz WQOFJPFYLHGOJV-NZQKXSOJSA-N 1 1 452.647 3.494 20 0 JGADMO CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1 ZINC001299099017 1064904726 /nfs/dbraw/zinc/90/47/26/1064904726.db2.gz PAVDCCJYTLELPA-ROUUACIJSA-N 1 1 462.639 3.212 20 0 JGADMO CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1 ZINC001299099017 1064904740 /nfs/dbraw/zinc/90/47/40/1064904740.db2.gz PAVDCCJYTLELPA-ROUUACIJSA-N 1 1 462.639 3.212 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001299108271 1064915391 /nfs/dbraw/zinc/91/53/91/1064915391.db2.gz CUBVPOHRGFCYNA-IBGZPJMESA-N 1 1 454.619 3.181 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001299108686 1064916000 /nfs/dbraw/zinc/91/60/00/1064916000.db2.gz FLGQJKURFVWYAO-KRWDZBQOSA-N 1 1 474.053 3.466 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001299108738 1064916131 /nfs/dbraw/zinc/91/61/31/1064916131.db2.gz GGEJPVGLFUDCGC-FQEVSTJZSA-N 1 1 498.672 3.293 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001299111737 1064922310 /nfs/dbraw/zinc/92/23/10/1064922310.db2.gz ZXNCHSTWYAIGRK-LJQANCHMSA-N 1 1 498.672 3.435 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001299117483 1064924691 /nfs/dbraw/zinc/92/46/91/1064924691.db2.gz AWIWDWRWWAMFAD-UHFFFAOYSA-N 1 1 475.641 3.115 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001299119395 1064928347 /nfs/dbraw/zinc/92/83/47/1064928347.db2.gz ZPNZBDCNHKPYKB-UHFFFAOYSA-N 1 1 456.610 3.235 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001299120003 1064928927 /nfs/dbraw/zinc/92/89/27/1064928927.db2.gz NPQNMJFWTPWNCL-IBGZPJMESA-N 1 1 458.676 3.405 20 0 JGADMO CNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001299120454 1064930200 /nfs/dbraw/zinc/93/02/00/1064930200.db2.gz ZVDNOVPAMOAFRL-SZPZYZBQSA-N 1 1 496.700 3.402 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001299127716 1064934600 /nfs/dbraw/zinc/93/46/00/1064934600.db2.gz HUVRGGPWXFQSAW-ACIOBRDBSA-N 1 1 498.672 3.107 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001299749390 1064949051 /nfs/dbraw/zinc/94/90/51/1064949051.db2.gz AJKHHEAHTXNTRF-VQTJNVASSA-N 1 1 484.464 3.231 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001299767489 1064964086 /nfs/dbraw/zinc/96/40/86/1064964086.db2.gz NHECOFUJSZWPEW-DHLKQENFSA-N 1 1 456.635 3.016 20 0 JGADMO COC1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001299774524 1064975375 /nfs/dbraw/zinc/97/53/75/1064975375.db2.gz FCTYUDRGDXXUEV-VXKWHMMOSA-N 1 1 498.672 3.203 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001299775113 1064976124 /nfs/dbraw/zinc/97/61/24/1064976124.db2.gz VFZOOCJBCCGMLY-YPCDYVTLSA-N 1 1 476.710 3.228 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299775113 1064976141 /nfs/dbraw/zinc/97/61/41/1064976141.db2.gz VFZOOCJBCCGMLY-YPCDYVTLSA-N 1 1 476.710 3.228 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299775113 1064976156 /nfs/dbraw/zinc/97/61/56/1064976156.db2.gz VFZOOCJBCCGMLY-YPCDYVTLSA-N 1 1 476.710 3.228 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001299780432 1064979211 /nfs/dbraw/zinc/97/92/11/1064979211.db2.gz SZMVQRZTEFAVSZ-LJQANCHMSA-N 1 1 478.435 3.170 20 0 JGADMO COC1(C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001299784498 1064981590 /nfs/dbraw/zinc/98/15/90/1064981590.db2.gz KIJIOCRGQZFISK-VQTJNVASSA-N 1 1 492.665 3.076 20 0 JGADMO CC(C)N(C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001299817963 1065012147 /nfs/dbraw/zinc/01/21/47/1065012147.db2.gz JKUBIXKQENKELQ-KTBRYMIGSA-N 1 1 456.608 3.467 20 0 JGADMO COc1cc(C)cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)c1 ZINC001299827324 1065020000 /nfs/dbraw/zinc/02/00/00/1065020000.db2.gz KXPGHYQYCXYSMG-UHFFFAOYSA-N 1 1 468.627 3.165 20 0 JGADMO COc1cc(C)ccc1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001299834769 1065026573 /nfs/dbraw/zinc/02/65/73/1065026573.db2.gz MHXWAQMFUZRBTC-UHFFFAOYSA-N 1 1 464.614 3.176 20 0 JGADMO COc1cc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc(OC)c1OC ZINC001299836981 1065029649 /nfs/dbraw/zinc/02/96/49/1065029649.db2.gz OZGAPKIXXQIAMH-QAPCUYQASA-N 1 1 461.632 3.395 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299840461 1065034367 /nfs/dbraw/zinc/03/43/67/1065034367.db2.gz PZTMYVZHGXHILX-VQTJNVASSA-N 1 1 485.629 3.484 20 0 JGADMO COc1cc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299841071 1065036613 /nfs/dbraw/zinc/03/66/13/1065036613.db2.gz JLYMZORYZLNAIQ-OAQYLSRUSA-N 1 1 471.524 3.196 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299841533 1065038222 /nfs/dbraw/zinc/03/82/22/1065038222.db2.gz WXPINIPEQFHPQN-RBBKRZOGSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2C[C@@H]2C)cc(OC)c1OC ZINC001299841513 1065038339 /nfs/dbraw/zinc/03/83/39/1065038339.db2.gz WLEWFSIIZYTXKP-PNYFIKQUSA-N 1 1 473.618 3.172 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2C[C@@H]2C)cc(OC)c1OC ZINC001299841513 1065038351 /nfs/dbraw/zinc/03/83/51/1065038351.db2.gz WLEWFSIIZYTXKP-PNYFIKQUSA-N 1 1 473.618 3.172 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299843299 1065040358 /nfs/dbraw/zinc/04/03/58/1065040358.db2.gz IOEWHDOEEYHCHE-QRVBRYPASA-N 1 1 473.618 3.174 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCCSC)cc(OC)c1OC ZINC001299846403 1065047003 /nfs/dbraw/zinc/04/70/03/1065047003.db2.gz JPDXPLFIEFZVMT-XMMPIXPASA-N 1 1 491.658 3.025 20 0 JGADMO COc1cc(-c2nnc(N3CC=CCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc(OC)c1OC ZINC001299846908 1065047937 /nfs/dbraw/zinc/04/79/37/1065047937.db2.gz PJQGPVQOXMVVBK-IBGZPJMESA-N 1 1 471.602 3.238 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CC[N@@H+](C)C(C)C)ccc1OC(C)C ZINC001299850430 1065054005 /nfs/dbraw/zinc/05/40/05/1065054005.db2.gz JKYOWZLZCOOFMO-OAQYLSRUSA-N 1 1 484.645 3.282 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCn2ccnc2C)cc(OC)c1OC ZINC001299854791 1065062923 /nfs/dbraw/zinc/06/29/23/1065062923.db2.gz NCOFYNKZARKXFD-UHFFFAOYSA-N 1 1 497.644 3.487 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCCSC)ccc1OC(C)C ZINC001299857645 1065067469 /nfs/dbraw/zinc/06/74/69/1065067469.db2.gz UZYVRRMWVWYQJS-HXUWFJFHSA-N 1 1 475.659 3.405 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCCSC)ccc1OC(C)C ZINC001299857645 1065067479 /nfs/dbraw/zinc/06/74/79/1065067479.db2.gz UZYVRRMWVWYQJS-HXUWFJFHSA-N 1 1 475.659 3.405 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCn2cc[nH+]c2C)cc(OC)c1OC ZINC001299857763 1065067986 /nfs/dbraw/zinc/06/79/86/1065067986.db2.gz XOYVLTJJDHKRAS-OAQYLSRUSA-N 1 1 470.574 3.037 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@@H](c4ccco4)C3)n2CC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299859366 1065072232 /nfs/dbraw/zinc/07/22/32/1065072232.db2.gz BBAOWSIZACDCEI-JOCHJYFZSA-N 1 1 485.585 3.482 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](OC)C3)n2CC[N@@H+](C)C2CCCCC2)cc(OC)c1OC ZINC001299861390 1065077149 /nfs/dbraw/zinc/07/71/49/1065077149.db2.gz GPHHGGUAWMSADH-HXUWFJFHSA-N 1 1 473.618 3.461 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](C)[NH+]2CCOCC2)ccc1OC(F)F ZINC001299870563 1065088588 /nfs/dbraw/zinc/08/85/88/1065088588.db2.gz BASJDYXBIVDTQG-INIZCTEOSA-N 1 1 476.528 3.240 20 0 JGADMO COc1cc(CN(C)c2nnc([C@H]3CCCCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1 ZINC001299872203 1065091276 /nfs/dbraw/zinc/09/12/76/1065091276.db2.gz DYSGGEFVFGHEQC-HSZRJFAPSA-N 1 1 486.661 3.199 20 0 JGADMO COc1cc(CN(c2nnc(C)n2C[C@H](C)[NH+]2CCOCC2)C2CC2)ccc1OC(F)F ZINC001299880581 1065101385 /nfs/dbraw/zinc/10/13/85/1065101385.db2.gz IZHJDWVNBKHPLC-HNNXBMFYSA-N 1 1 451.518 3.086 20 0 JGADMO COc1cc(Cn2c(-c3ccc[nH]3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)ccc1C ZINC001299882375 1065105463 /nfs/dbraw/zinc/10/54/63/1065105463.db2.gz ISHQZAGDCNAFGL-UHFFFAOYSA-N 1 1 452.603 3.433 20 0 JGADMO COc1cc(Cn2c(CC(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)cc(Cl)c1OC ZINC001299886797 1065111001 /nfs/dbraw/zinc/11/10/01/1065111001.db2.gz VJLYCDIEMXXCLR-LJQANCHMSA-N 1 1 478.037 3.497 20 0 JGADMO COc1cc(Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC001299888489 1065114487 /nfs/dbraw/zinc/11/44/87/1065114487.db2.gz YNFXXKJDANKXFT-VWPQPMDRSA-N 1 1 457.619 3.083 20 0 JGADMO COc1cc(Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC001299888489 1065114496 /nfs/dbraw/zinc/11/44/96/1065114496.db2.gz YNFXXKJDANKXFT-VWPQPMDRSA-N 1 1 457.619 3.083 20 0 JGADMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)C[C@@H]1C ZINC001299890837 1065119981 /nfs/dbraw/zinc/11/99/81/1065119981.db2.gz BQHYRGPDYOZBGF-BGYRXZFFSA-N 1 1 459.612 3.285 20 0 JGADMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)C[C@@H]1C ZINC001299890837 1065119987 /nfs/dbraw/zinc/11/99/87/1065119987.db2.gz BQHYRGPDYOZBGF-BGYRXZFFSA-N 1 1 459.612 3.285 20 0 JGADMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)C[C@@H]1C ZINC001299891437 1065120018 /nfs/dbraw/zinc/12/00/18/1065120018.db2.gz SMDSOMOIJKXASZ-BGYRXZFFSA-N 1 1 459.612 3.285 20 0 JGADMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)C[C@@H]1C ZINC001299891437 1065120026 /nfs/dbraw/zinc/12/00/26/1065120026.db2.gz SMDSOMOIJKXASZ-BGYRXZFFSA-N 1 1 459.612 3.285 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCc3ccncc3)CC2)cc(OC)c1 ZINC001299892146 1065120417 /nfs/dbraw/zinc/12/04/17/1065120417.db2.gz FPKPDMARUXEVOP-UHFFFAOYSA-N 1 1 464.614 3.454 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C)n3CCc3nc(C)c(C)s3)CC2)cc(OC)c1 ZINC001299893637 1065123977 /nfs/dbraw/zinc/12/39/77/1065123977.db2.gz WYIAOANRGQUTRC-UHFFFAOYSA-N 1 1 456.616 3.242 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001299896119 1065129130 /nfs/dbraw/zinc/12/91/30/1065129130.db2.gz RBIHHYDHSQARSZ-AZUAARDMSA-N 1 1 478.037 3.437 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCNC(=O)C(C)C)n1CCn1cc[nH+]c1C ZINC001299898693 1065133114 /nfs/dbraw/zinc/13/31/14/1065133114.db2.gz RQEZQTMXZVQXSP-UHFFFAOYSA-N 1 1 459.982 3.021 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC(F)(F)F ZINC001299901077 1065137263 /nfs/dbraw/zinc/13/72/63/1065137263.db2.gz QNAHTLUYEPFYJQ-CJNGLKHVSA-N 1 1 459.900 3.326 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(F)(F)F ZINC001299901078 1065137287 /nfs/dbraw/zinc/13/72/87/1065137287.db2.gz QNAHTLUYEPFYJQ-CZUORRHYSA-N 1 1 459.900 3.326 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H]2CSC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001299905347 1065145550 /nfs/dbraw/zinc/14/55/50/1065145550.db2.gz FOUYESVBFJFJBB-LJQANCHMSA-N 1 1 493.077 3.103 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCc1nc(C)n[nH]1 ZINC001299908628 1065152597 /nfs/dbraw/zinc/15/25/97/1065152597.db2.gz XMYZLXIEHBJFMA-UHFFFAOYSA-N 1 1 458.998 3.197 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001299909234 1065156293 /nfs/dbraw/zinc/15/62/93/1065156293.db2.gz REHYSTZFFRGEFD-JKSUJKDBSA-N 1 1 461.010 3.147 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299911607 1065161216 /nfs/dbraw/zinc/16/12/16/1065161216.db2.gz NBJORYAQRMMDTG-OKZBNKHCSA-N 1 1 464.010 3.332 20 0 JGADMO COc1cc(NC2CCN(c3nnc(-c4cnccn4)n3CC[N@@H+](C)C(C)C)CC2)cc(OC)c1 ZINC001299924664 1065181120 /nfs/dbraw/zinc/18/11/20/1065181120.db2.gz ANXRIUXGXDTXRN-UHFFFAOYSA-N 1 1 480.617 3.173 20 0 JGADMO COc1cc(OC)c(CCn2c(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)nnc2C(C)(C)C)c(OC)c1 ZINC001299925248 1065183425 /nfs/dbraw/zinc/18/34/25/1065183425.db2.gz OXEKVYBCVOQUFP-GHTZIAJQSA-N 1 1 487.645 3.001 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3cnn(C)c3C)n2CCCn2cc[nH+]c2C)c1 ZINC001299931268 1065195012 /nfs/dbraw/zinc/19/50/12/1065195012.db2.gz UDMFWSOEQKJILH-UHFFFAOYSA-N 1 1 464.574 3.236 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299932069 1065196992 /nfs/dbraw/zinc/19/69/92/1065196992.db2.gz KFMFRUNUOWYCKD-HBMCJLEFSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)OC3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001299933456 1065199313 /nfs/dbraw/zinc/19/93/13/1065199313.db2.gz CXZJJMMEDSNION-UHFFFAOYSA-N 1 1 459.591 3.384 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCSC(C)C)c1 ZINC001299934105 1065200620 /nfs/dbraw/zinc/20/06/20/1065200620.db2.gz PJJSQMKGDHJXKS-XMSQKQJNSA-N 1 1 475.659 3.261 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299934655 1065201637 /nfs/dbraw/zinc/20/16/37/1065201637.db2.gz XDOUKLLHFDDYJU-OALUTQOASA-N 1 1 484.645 3.140 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299936871 1065204170 /nfs/dbraw/zinc/20/41/70/1065204170.db2.gz CTIMMOMPLUVIRP-UXHICEINSA-N 1 1 498.672 3.435 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299936737 1065204294 /nfs/dbraw/zinc/20/42/94/1065204294.db2.gz ORMOSMJWZWDIAW-GOSISDBHSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299936737 1065204305 /nfs/dbraw/zinc/20/43/05/1065204305.db2.gz ORMOSMJWZWDIAW-GOSISDBHSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001299945303 1065217587 /nfs/dbraw/zinc/21/75/87/1065217587.db2.gz RCHVFCRMGLVKFV-VQTJNVASSA-N 1 1 484.645 3.319 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCO[C@@H]2CCOC2)c1 ZINC001299946318 1065220852 /nfs/dbraw/zinc/22/08/52/1065220852.db2.gz ACAYZYNVAQUHRM-OAQYLSRUSA-N 1 1 487.645 3.469 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299950298 1065225317 /nfs/dbraw/zinc/22/53/17/1065225317.db2.gz MIAYIEVBVGJHDY-RTWAWAEBSA-N 1 1 498.672 3.387 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001299950612 1065226316 /nfs/dbraw/zinc/22/63/16/1065226316.db2.gz KSPKOGQRHYIZIQ-LJQANCHMSA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001299958550 1065237635 /nfs/dbraw/zinc/23/76/35/1065237635.db2.gz UXUBPMKALXNWJP-UXHICEINSA-N 1 1 473.618 3.458 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001299958552 1065237673 /nfs/dbraw/zinc/23/76/73/1065237673.db2.gz UXUBPMKALXNWJP-WOJBJXKFSA-N 1 1 473.618 3.458 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299959558 1065240632 /nfs/dbraw/zinc/24/06/32/1065240632.db2.gz TULLJCQHSCJILE-RTBURBONSA-N 1 1 470.618 3.306 20 0 JGADMO COc1ccc(Br)c(CN(C)c2nnc(C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299975039 1065267845 /nfs/dbraw/zinc/26/78/45/1065267845.db2.gz FYZSLVJFRJHDPT-IYBDPMFKSA-N 1 1 466.424 3.493 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001299976112 1065271948 /nfs/dbraw/zinc/27/19/48/1065271948.db2.gz WNCRIPFFTSYOBD-UHFFFAOYSA-N 1 1 494.434 3.054 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCCOCC3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001299976112 1065271958 /nfs/dbraw/zinc/27/19/58/1065271958.db2.gz WNCRIPFFTSYOBD-UHFFFAOYSA-N 1 1 494.434 3.054 20 0 JGADMO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC001299978454 1065274998 /nfs/dbraw/zinc/27/49/98/1065274998.db2.gz AOUVISORUASSRB-AZUAARDMSA-N 1 1 454.619 3.076 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001299987725 1065290205 /nfs/dbraw/zinc/29/02/05/1065290205.db2.gz VCJXPNQZTISEQD-DYXWJJEUSA-N 1 1 475.659 3.118 20 0 JGADMO COc1ccc(C)cc1CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001299990747 1065294647 /nfs/dbraw/zinc/29/46/47/1065294647.db2.gz MSKCTGYRDIBGDT-XMMPIXPASA-N 1 1 498.716 3.353 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2scnc2C)CC1 ZINC001299991407 1065296859 /nfs/dbraw/zinc/29/68/59/1065296859.db2.gz VSXBRURYURUUTE-UHFFFAOYSA-N 1 1 497.669 3.063 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)NC(C)C)CC1 ZINC001299991552 1065297532 /nfs/dbraw/zinc/29/75/32/1065297532.db2.gz YSJHFOXSRUEKHH-UHFFFAOYSA-N 1 1 470.662 3.421 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001299992099 1065298888 /nfs/dbraw/zinc/29/88/88/1065298888.db2.gz IMQYIRRUYJINHQ-OTWHNJEPSA-N 1 1 486.661 3.419 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001299996902 1065307043 /nfs/dbraw/zinc/30/70/43/1065307043.db2.gz RQRVMBFQQBOTSP-LJQANCHMSA-N 1 1 486.661 3.434 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001299997395 1065307730 /nfs/dbraw/zinc/30/77/30/1065307730.db2.gz VTKWJVZESGXFDU-DOTOQJQBSA-N 1 1 464.408 3.426 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCCCO2)c(OC)c1 ZINC001299997519 1065308215 /nfs/dbraw/zinc/30/82/15/1065308215.db2.gz KQPJIHSUIFIKKQ-NRFANRHFSA-N 1 1 487.645 3.326 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC[C@@H]2CCOC2)cc1 ZINC001299997682 1065308348 /nfs/dbraw/zinc/30/83/48/1065308348.db2.gz MIYBYPVNYNKVCY-HXUWFJFHSA-N 1 1 457.619 3.175 20 0 JGADMO Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001492200049 1065312999 /nfs/dbraw/zinc/31/29/99/1065312999.db2.gz AXZKZOWVASBKOR-UHFFFAOYSA-N 1 1 464.614 3.198 20 0 JGADMO Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001492200049 1065313011 /nfs/dbraw/zinc/31/30/11/1065313011.db2.gz AXZKZOWVASBKOR-UHFFFAOYSA-N 1 1 464.614 3.198 20 0 JGADMO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@H]4CCCOC4)n3CC[N@H+](C)C(C)C)CC2)cc1 ZINC001492205529 1065319524 /nfs/dbraw/zinc/31/95/24/1065319524.db2.gz JTKVMEGGOBMLMK-DEOSSOPVSA-N 1 1 482.673 3.354 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492208049 1065322192 /nfs/dbraw/zinc/32/21/92/1065322192.db2.gz ISQNRSAIKFZJGC-OALUTQOASA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(N(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492217504 1065327751 /nfs/dbraw/zinc/32/77/51/1065327751.db2.gz OVUBLQPPBGNSCV-WOJBJXKFSA-N 1 1 454.619 3.478 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)CC2=O)cc1 ZINC001492233102 1065334315 /nfs/dbraw/zinc/33/43/15/1065334315.db2.gz VTAGKHUDHBZJLW-HSZRJFAPSA-N 1 1 482.673 3.265 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C3CCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492235148 1065334974 /nfs/dbraw/zinc/33/49/74/1065334974.db2.gz KATVWTRSMIKFRR-JOCHJYFZSA-N 1 1 481.645 3.079 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001492241389 1065340927 /nfs/dbraw/zinc/34/09/27/1065340927.db2.gz WMXNZXSZNFKZBX-QHCPKHFHSA-N 1 1 497.688 3.180 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCCOC(C)C)cc1C ZINC001492244429 1065343520 /nfs/dbraw/zinc/34/35/20/1065343520.db2.gz RVKAQOIUCOXTHV-GGAORHGYSA-N 1 1 484.645 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492249710 1065349238 /nfs/dbraw/zinc/34/92/38/1065349238.db2.gz CJUZHGVVWRLFGV-KRWDZBQOSA-N 1 1 476.572 3.351 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(CO)CC3)n2CC[N@H+](C)C2CCCC2)cc1C ZINC001492250519 1065350626 /nfs/dbraw/zinc/35/06/26/1065350626.db2.gz NQFYDRVVDZXJHC-UHFFFAOYSA-N 1 1 454.619 3.230 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001492264092 1065356889 /nfs/dbraw/zinc/35/68/89/1065356889.db2.gz DPJNVACLQHPRBU-GGAORHGYSA-N 1 1 495.672 3.373 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492268912 1065364396 /nfs/dbraw/zinc/36/43/96/1065364396.db2.gz ZMIMTSGNZNJBJL-IRLDBZIGSA-N 1 1 481.645 3.079 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492276440 1065371320 /nfs/dbraw/zinc/37/13/20/1065371320.db2.gz PLRJECOAKYKYIA-URVUXULASA-N 1 1 472.609 3.442 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492287167 1065379989 /nfs/dbraw/zinc/37/99/89/1065379989.db2.gz NRXDUDIPCXONKO-BHIFYINESA-N 1 1 484.645 3.055 20 0 JGADMO Cc1cc(Cn2c(COc3ccc(C)cc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)on1 ZINC001492320631 1065395446 /nfs/dbraw/zinc/39/54/46/1065395446.db2.gz OYOLBESBQRYTPJ-UHFFFAOYSA-N 1 1 468.602 3.305 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001545691784 1065396943 /nfs/dbraw/zinc/39/69/43/1065396943.db2.gz IRTYDLWBPLWUQY-PCCBWWKXSA-N 1 1 493.656 3.344 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001545691784 1065396952 /nfs/dbraw/zinc/39/69/52/1065396952.db2.gz IRTYDLWBPLWUQY-PCCBWWKXSA-N 1 1 493.656 3.344 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492339707 1065407722 /nfs/dbraw/zinc/40/77/22/1065407722.db2.gz PLXBRVSPAGMDJB-KNQAVFIVSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001492293996 1065408912 /nfs/dbraw/zinc/40/89/12/1065408912.db2.gz FTYITEOFEIJKCN-FGZHOGPDSA-N 1 1 471.646 3.353 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001492293997 1065408927 /nfs/dbraw/zinc/40/89/27/1065408927.db2.gz FTYITEOFEIJKCN-VXKWHMMOSA-N 1 1 471.646 3.353 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001492353651 1065416268 /nfs/dbraw/zinc/41/62/68/1065416268.db2.gz HFFURENEGHCTHQ-UHFFFAOYSA-N 1 1 465.602 3.161 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001492353908 1065417106 /nfs/dbraw/zinc/41/71/06/1065417106.db2.gz PQFSSBTUNPKIEP-UHFFFAOYSA-N 1 1 496.578 3.401 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001492354067 1065418113 /nfs/dbraw/zinc/41/81/13/1065418113.db2.gz VPRVBDVYDJVJLV-AREMUKBSSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)n2CC(C)C)cc1C ZINC001492391041 1065418793 /nfs/dbraw/zinc/41/87/93/1065418793.db2.gz KJRRDKHUXHAVPH-RUZDIDTESA-N 1 1 484.689 3.361 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(N4CCCC4=O)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492360009 1065421475 /nfs/dbraw/zinc/42/14/75/1065421475.db2.gz PGGGSPHUAUHAPX-UHFFFAOYSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001492363363 1065424078 /nfs/dbraw/zinc/42/40/78/1065424078.db2.gz ISOPYLAJAHORDN-GMAHTHKFSA-N 1 1 489.686 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492370820 1065433481 /nfs/dbraw/zinc/43/34/81/1065433481.db2.gz LZHXXOOWCHQVGE-FUDKSRODSA-N 1 1 489.686 3.299 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCN2CCOC[C@@H]2C)cc1 ZINC001492377003 1065439969 /nfs/dbraw/zinc/43/99/69/1065439969.db2.gz IZMSHGAKSXIDLM-QFIPXVFZSA-N 1 1 470.662 3.197 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCC(C)C)cc1C ZINC001492383326 1065447908 /nfs/dbraw/zinc/44/79/08/1065447908.db2.gz QUEWWFVYYHRTNM-HSZRJFAPSA-N 1 1 468.646 3.263 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001492390898 1065456489 /nfs/dbraw/zinc/45/64/89/1065456489.db2.gz FRDXCAOVECVNSW-DHIUTWEWSA-N 1 1 471.646 3.385 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@H+](C)C2CCCCC2)cc1C ZINC001492347065 1065462735 /nfs/dbraw/zinc/46/27/35/1065462735.db2.gz QHGJYFKLTLASGZ-HXUWFJFHSA-N 1 1 454.619 3.050 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492399805 1065468553 /nfs/dbraw/zinc/46/85/53/1065468553.db2.gz CUEIXPRRYRLMPQ-GGAORHGYSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492401990 1065471701 /nfs/dbraw/zinc/47/17/01/1065471701.db2.gz QHZFOXDUXCBIBJ-XUZZJYLKSA-N 1 1 459.660 3.118 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC001492408480 1065474189 /nfs/dbraw/zinc/47/41/89/1065474189.db2.gz MMDFFKMISCVCJC-ZRZAMGCNSA-N 1 1 484.689 3.361 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001492418166 1065478777 /nfs/dbraw/zinc/47/87/77/1065478777.db2.gz DXWRCWHYFKNDKJ-OAQYLSRUSA-N 1 1 466.586 3.234 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001492418816 1065479548 /nfs/dbraw/zinc/47/95/48/1065479548.db2.gz NCEWFDNMJISMOP-QFIPXVFZSA-N 1 1 468.646 3.458 20 0 JGADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492432266 1065489714 /nfs/dbraw/zinc/48/97/14/1065489714.db2.gz YQOPSSOXKOGKGO-RTWAWAEBSA-N 1 1 488.702 3.389 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(C)(C)O)cc1 ZINC001492452671 1065503584 /nfs/dbraw/zinc/50/35/84/1065503584.db2.gz IKKMXMOSSJSZDT-TZIWHRDSSA-N 1 1 459.660 3.197 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001492455906 1065505735 /nfs/dbraw/zinc/50/57/35/1065505735.db2.gz DWTSLLDWARCRAZ-QUCCMNQESA-N 1 1 456.660 3.311 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001492463712 1065511417 /nfs/dbraw/zinc/51/14/17/1065511417.db2.gz WZGSHEGURZUHGJ-UHFFFAOYSA-N 1 1 456.660 3.422 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2(O)CCC2)cc1 ZINC001492467976 1065515518 /nfs/dbraw/zinc/51/55/18/1065515518.db2.gz RRPWCCHBZHDIDA-UHFFFAOYSA-N 1 1 459.660 3.341 20 0 JGADMO Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC001492469506 1065518578 /nfs/dbraw/zinc/51/85/78/1065518578.db2.gz MNYKJTRUJHGHOD-FQEVSTJZSA-N 1 1 486.686 3.207 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC[C@H]1C ZINC001300800653 1065532608 /nfs/dbraw/zinc/53/26/08/1065532608.db2.gz UHJGZJBILJSKJS-WOIUINJBSA-N 1 1 489.064 3.455 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1(C)C ZINC001300812640 1065542781 /nfs/dbraw/zinc/54/27/81/1065542781.db2.gz KTPWJNDENGVUQO-FCHUYYIVSA-N 1 1 468.646 3.057 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC[C@@H]1C ZINC001300827305 1065556414 /nfs/dbraw/zinc/55/64/14/1065556414.db2.gz SAJLZEDDLAFXIV-YCRNBWNJSA-N 1 1 477.600 3.365 20 0 JGADMO CO[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300828308 1065557526 /nfs/dbraw/zinc/55/75/26/1065557526.db2.gz XGJJAOJQZILLFH-RXVVDRJESA-N 1 1 462.038 3.494 20 0 JGADMO CO[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300828308 1065557538 /nfs/dbraw/zinc/55/75/38/1065557538.db2.gz XGJJAOJQZILLFH-RXVVDRJESA-N 1 1 462.038 3.494 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2CC2CCN(CC[NH+](C)C)CC2)CC[C@H]1C ZINC001300842926 1065580763 /nfs/dbraw/zinc/58/07/63/1065580763.db2.gz OIADFIXVQXJLLO-RDGATRHJSA-N 1 1 484.689 3.300 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@H+]2CCCO)CC[C@H]1C ZINC001300843340 1065581921 /nfs/dbraw/zinc/58/19/21/1065581921.db2.gz PZHARMXZBQEJLL-CQOQZXRMSA-N 1 1 471.646 3.182 20 0 JGADMO C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001300874318 1065651940 /nfs/dbraw/zinc/65/19/40/1065651940.db2.gz ONRQROMMKKXWGW-HKUYNNGSSA-N 1 1 452.393 3.398 20 0 JGADMO COCC(C)(C)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001300914188 1065714154 /nfs/dbraw/zinc/71/41/54/1065714154.db2.gz KHOVIEBAZGJYAT-HXUWFJFHSA-N 1 1 472.634 3.042 20 0 JGADMO COCC(C)(C)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001300920387 1065719526 /nfs/dbraw/zinc/71/95/26/1065719526.db2.gz NQPPPRJPYDRADJ-OAQYLSRUSA-N 1 1 460.667 3.131 20 0 JGADMO COCC(C)(C)CCCn1c(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001300926382 1065724417 /nfs/dbraw/zinc/72/44/17/1065724417.db2.gz CJFMRCYNUMKADW-IFMALSPDSA-N 1 1 476.710 3.407 20 0 JGADMO COCC(C)(C)CCCn1c(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001300926385 1065724500 /nfs/dbraw/zinc/72/45/00/1065724500.db2.gz CJFMRCYNUMKADW-UNMCSNQZSA-N 1 1 476.710 3.407 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001300935302 1065736823 /nfs/dbraw/zinc/73/68/23/1065736823.db2.gz HBYIJBLQCAAUBI-OYRHEFFESA-N 1 1 455.651 3.008 20 0 JGADMO COCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300941640 1065743540 /nfs/dbraw/zinc/74/35/40/1065743540.db2.gz FCHLCXKVIQAHMN-UHFFFAOYSA-N 1 1 484.693 3.435 20 0 JGADMO COCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001300946609 1065750508 /nfs/dbraw/zinc/75/05/08/1065750508.db2.gz KVXSFXOUDXQGLM-UHFFFAOYSA-N 1 1 481.645 3.143 20 0 JGADMO COC[C@@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300954203 1065758766 /nfs/dbraw/zinc/75/87/66/1065758766.db2.gz VVRRQSFBVXKJCH-PMACEKPBSA-N 1 1 485.608 3.286 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300959970 1065767829 /nfs/dbraw/zinc/76/78/29/1065767829.db2.gz ZDVJDXNDZIJLET-BZUAXINKSA-N 1 1 484.464 3.209 20 0 JGADMO COC[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001300969502 1065778446 /nfs/dbraw/zinc/77/84/46/1065778446.db2.gz WGQSUUGPBYQKKB-IBGZPJMESA-N 1 1 480.613 3.270 20 0 JGADMO COC[C@@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001300988074 1065801478 /nfs/dbraw/zinc/80/14/78/1065801478.db2.gz RMWXVHZYUJUEMC-CYFREDJKSA-N 1 1 475.659 3.163 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301043145 1065886803 /nfs/dbraw/zinc/88/68/03/1065886803.db2.gz HFZOLCMKAQIMLE-MJGOQNOKSA-N 1 1 491.608 3.266 20 0 JGADMO COC[C@H](F)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301043796 1065888778 /nfs/dbraw/zinc/88/87/78/1065888778.db2.gz YVOAEVONOLSHDL-MRXNPFEDSA-N 1 1 483.411 3.404 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccccc2Br)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301052006 1065900008 /nfs/dbraw/zinc/90/00/08/1065900008.db2.gz AWJGIGLCADLKAV-IXDOHACOSA-N 1 1 484.414 3.238 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccccc2Br)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301052006 1065900020 /nfs/dbraw/zinc/90/00/20/1065900020.db2.gz AWJGIGLCADLKAV-IXDOHACOSA-N 1 1 484.414 3.238 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001301053838 1065903302 /nfs/dbraw/zinc/90/33/02/1065903302.db2.gz RKSKOFWBVGKWJK-XKCSPQBFSA-N 1 1 469.609 3.491 20 0 JGADMO COC[C@@H](F)Cn1c(N2CCC[C@]3(C2)C[N@H+](Cc2ccccc2)CCO3)nnc1C(C)(C)C ZINC001301083320 1065934456 /nfs/dbraw/zinc/93/44/56/1065934456.db2.gz USCAOFNRKJNFFK-SQJMNOBHSA-N 1 1 459.610 3.432 20 0 JGADMO COC[C@@H](F)Cn1c(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)nnc1C(C)(C)C ZINC001301083320 1065934463 /nfs/dbraw/zinc/93/44/63/1065934463.db2.gz USCAOFNRKJNFFK-SQJMNOBHSA-N 1 1 459.610 3.432 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001301089839 1065939616 /nfs/dbraw/zinc/93/96/16/1065939616.db2.gz CSPAMDQLLVBOFK-IBGZPJMESA-N 1 1 463.026 3.093 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001301090930 1065940452 /nfs/dbraw/zinc/94/04/52/1065940452.db2.gz ZISJLSNBOPIVGN-NRFANRHFSA-N 1 1 457.619 3.053 20 0 JGADMO COCC1(CCn2c(N3C[C@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)CCCC1 ZINC001301116256 1065959992 /nfs/dbraw/zinc/95/99/92/1065959992.db2.gz KXYFHIFHDZRFTB-RBBKRZOGSA-N 1 1 474.694 3.161 20 0 JGADMO COCC1(CCn2c(N3C[C@@H](C)[C@@H]([NH+]4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)CCCC1 ZINC001301116255 1065960204 /nfs/dbraw/zinc/96/02/04/1065960204.db2.gz KXYFHIFHDZRFTB-IRLDBZIGSA-N 1 1 474.694 3.161 20 0 JGADMO COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC001301124949 1065966370 /nfs/dbraw/zinc/96/63/70/1065966370.db2.gz KTQUGQDJPSMCOF-NHCUHLMSSA-N 1 1 460.667 3.324 20 0 JGADMO COCc1cccc(Cn2c(-c3ccc[nH]3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001301166831 1066002757 /nfs/dbraw/zinc/00/27/57/1066002757.db2.gz AZENKUUTTWRTFP-UHFFFAOYSA-N 1 1 452.603 3.263 20 0 JGADMO COCc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001301171913 1066005807 /nfs/dbraw/zinc/00/58/07/1066005807.db2.gz GIOQIXWZDRTCBD-QFIPXVFZSA-N 1 1 457.619 3.261 20 0 JGADMO COCc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001301171913 1066005816 /nfs/dbraw/zinc/00/58/16/1066005816.db2.gz GIOQIXWZDRTCBD-QFIPXVFZSA-N 1 1 457.619 3.261 20 0 JGADMO COCc1cccc(Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001301172107 1066005858 /nfs/dbraw/zinc/00/58/58/1066005858.db2.gz UJJKIPGJATZGFP-SANMLTNESA-N 1 1 471.646 3.434 20 0 JGADMO COCC1=CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301185101 1066015291 /nfs/dbraw/zinc/01/52/91/1066015291.db2.gz HCTJPKAUULMUHE-XMMPIXPASA-N 1 1 485.629 3.102 20 0 JGADMO COCC1=CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301187996 1066017291 /nfs/dbraw/zinc/01/72/91/1066017291.db2.gz IMUMALLVZQGZAD-HXUWFJFHSA-N 1 1 461.010 3.133 20 0 JGADMO COCC1=CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301187993 1066017361 /nfs/dbraw/zinc/01/73/61/1066017361.db2.gz IMUMALLVZQGZAD-FQEVSTJZSA-N 1 1 461.010 3.133 20 0 JGADMO COCC1=CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301188287 1066017806 /nfs/dbraw/zinc/01/78/06/1066017806.db2.gz LXNKJKJRLLHZRB-BGYRXZFFSA-N 1 1 485.629 3.245 20 0 JGADMO COCC1=CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001301199719 1066025662 /nfs/dbraw/zinc/02/56/62/1066025662.db2.gz RUFUMWPHHKVTRJ-UHFFFAOYSA-N 1 1 482.673 3.283 20 0 JGADMO COCc1nc(Cn2c(-c3ccccc3OC)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001301207327 1066031504 /nfs/dbraw/zinc/03/15/04/1066031504.db2.gz NQGSDWDERXATTI-UHFFFAOYSA-N 1 1 486.642 3.152 20 0 JGADMO COCc1nc(Cn2c(-c3ccccc3OC)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001301207327 1066031517 /nfs/dbraw/zinc/03/15/17/1066031517.db2.gz NQGSDWDERXATTI-UHFFFAOYSA-N 1 1 486.642 3.152 20 0 JGADMO COCc1nc(Cn2c(Cc3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC001301212642 1066036189 /nfs/dbraw/zinc/03/61/89/1066036189.db2.gz NHLFDEREUBENPD-UHFFFAOYSA-N 1 1 469.659 3.472 20 0 JGADMO COCc1nocc1Cn1c(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)nnc1C(C)(C)C ZINC001301228456 1066047151 /nfs/dbraw/zinc/04/71/51/1066047151.db2.gz NXUSJVNRDXKPCO-UHFFFAOYSA-N 1 1 484.601 3.098 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001301228680 1066047618 /nfs/dbraw/zinc/04/76/18/1066047618.db2.gz USBYJNPCIPHBLI-LEWJYISDSA-N 1 1 468.646 3.116 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001301230372 1066049437 /nfs/dbraw/zinc/04/94/37/1066049437.db2.gz DHDGRIHRQZCCLV-HTAPYJJXSA-N 1 1 478.435 3.027 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001301230373 1066049590 /nfs/dbraw/zinc/04/95/90/1066049590.db2.gz DHDGRIHRQZCCLV-JTSKRJEESA-N 1 1 478.435 3.027 20 0 JGADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC001301231896 1066050575 /nfs/dbraw/zinc/05/05/75/1066050575.db2.gz DHFJFDXYNGARSX-HXUWFJFHSA-N 1 1 451.596 3.413 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301260666 1066075355 /nfs/dbraw/zinc/07/53/55/1066075355.db2.gz DEHQUMFCSCNASF-KNQAVFIVSA-N 1 1 489.064 3.404 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001301261023 1066075773 /nfs/dbraw/zinc/07/57/73/1066075773.db2.gz IJDGKQPDMGZRCF-CVEARBPZSA-N 1 1 465.440 3.392 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001301260967 1066075820 /nfs/dbraw/zinc/07/58/20/1066075820.db2.gz HSJQAECVVXHTBG-IRXDYDNUSA-N 1 1 465.440 3.393 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301263568 1066079080 /nfs/dbraw/zinc/07/90/80/1066079080.db2.gz MGTJPQITQFFEBU-RBUKOAKNSA-N 1 1 463.026 3.357 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC[N@@H+](C)C(C)C)C1 ZINC001301274782 1066086096 /nfs/dbraw/zinc/08/60/96/1066086096.db2.gz UBXPMEKZXXVDRL-SFHVURJKSA-N 1 1 453.591 3.187 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001301275073 1066086137 /nfs/dbraw/zinc/08/61/37/1066086137.db2.gz BDVKUECWXHVTFO-ISKFKSNPSA-N 1 1 455.647 3.397 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301281551 1066090307 /nfs/dbraw/zinc/09/03/07/1066090307.db2.gz BPDXJHXBTQCRLI-OAQYLSRUSA-N 1 1 457.619 3.139 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301281551 1066090321 /nfs/dbraw/zinc/09/03/21/1066090321.db2.gz BPDXJHXBTQCRLI-OAQYLSRUSA-N 1 1 457.619 3.139 20 0 JGADMO COCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301287492 1066095376 /nfs/dbraw/zinc/09/53/76/1066095376.db2.gz RYWANNGXCYWPOH-OAQYLSRUSA-N 1 1 469.634 3.156 20 0 JGADMO COCC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001301293822 1066098764 /nfs/dbraw/zinc/09/87/64/1066098764.db2.gz CKMOKGMHFLBGQB-GAJHUEQPSA-N 1 1 464.010 3.001 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001301297820 1066103966 /nfs/dbraw/zinc/10/39/66/1066103966.db2.gz GCNWVDNPGIUMEE-SFTDATJTSA-N 1 1 489.686 3.476 20 0 JGADMO COCC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301328373 1066121543 /nfs/dbraw/zinc/12/15/43/1066121543.db2.gz FSVNYIHPJIXDAP-HSZRJFAPSA-N 1 1 471.646 3.097 20 0 JGADMO COc1cc(OC)c(C2CCN(C(=O)c3cc4c(nc[nH+]c4N(C)C)n3C)CC2)c(OC)c1 ZINC001301336579 1066126453 /nfs/dbraw/zinc/12/64/53/1066126453.db2.gz BKAWXORQFVTBQX-UHFFFAOYSA-N 1 1 453.543 3.080 20 0 JGADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)C2)ccn1 ZINC001301364676 1066159910 /nfs/dbraw/zinc/15/99/10/1066159910.db2.gz UZCARISZCSBGSC-LSBZLQRGSA-N 1 1 466.508 3.331 20 0 JGADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C3=CCCN(C(=O)OC(C)(C)C)CC3)C2)ccn1 ZINC001301364531 1066159942 /nfs/dbraw/zinc/15/99/42/1066159942.db2.gz PHAXKEWMHBGDRV-JOCHJYFZSA-N 1 1 458.603 3.470 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301372465 1066166591 /nfs/dbraw/zinc/16/65/91/1066166591.db2.gz AKPBRAIDVDDLTK-OFNKIYASSA-N 1 1 464.614 3.469 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@H]2C)C[C@H](C)O1 ZINC001301373945 1066167715 /nfs/dbraw/zinc/16/77/15/1066167715.db2.gz HMYINVAXJOAZIZ-SQNIBIBYSA-N 1 1 478.435 3.432 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001301378307 1066171612 /nfs/dbraw/zinc/17/16/12/1066171612.db2.gz TUWMBFMLNOIAIZ-GBXCKJPGSA-N 1 1 464.614 3.469 20 0 JGADMO CCC[N@H+]1CC[C@@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001301378450 1066171631 /nfs/dbraw/zinc/17/16/31/1066171631.db2.gz FXWCCLXJLUMDIG-SECBINFHSA-N 1 1 455.109 3.407 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001301387646 1066174504 /nfs/dbraw/zinc/17/45/04/1066174504.db2.gz KVDQVDVAADHDOI-SQOUVECCSA-N 1 1 457.619 3.280 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC001301396359 1066177446 /nfs/dbraw/zinc/17/74/46/1066177446.db2.gz JSYXSKIBUGCDQZ-CBQOVEMMSA-N 1 1 459.610 3.369 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001301398009 1066179082 /nfs/dbraw/zinc/17/90/82/1066179082.db2.gz YFYSCYKDIDTWRB-UNMCSNQZSA-N 1 1 459.610 3.228 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301398109 1066179192 /nfs/dbraw/zinc/17/91/92/1066179192.db2.gz ZJKYFOXPBOSUDO-VWPQPMDRSA-N 1 1 459.610 3.228 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301409518 1066194747 /nfs/dbraw/zinc/19/47/47/1066194747.db2.gz GTHZARJYMVDQRS-KNQAVFIVSA-N 1 1 475.609 3.358 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301410057 1066196470 /nfs/dbraw/zinc/19/64/70/1066196470.db2.gz PKZDXZTWVXFKBN-RXVVDRJESA-N 1 1 464.010 3.094 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301418170 1066210610 /nfs/dbraw/zinc/21/06/10/1066210610.db2.gz SHGUFTGBMUZWQF-HYBUGGRVSA-N 1 1 498.672 3.005 20 0 JGADMO COCC[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301437750 1066239606 /nfs/dbraw/zinc/23/96/06/1066239606.db2.gz MCPXNSRCQKYVCX-HTAPYJJXSA-N 1 1 496.425 3.309 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301950443 1066246803 /nfs/dbraw/zinc/24/68/03/1066246803.db2.gz FLGXHQUYERPSMX-IBGZPJMESA-N 1 1 489.064 3.309 20 0 JGADMO COCC[C@](C)(O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301455179 1066272226 /nfs/dbraw/zinc/27/22/26/1066272226.db2.gz AAWYADWHQUYCQI-SANMLTNESA-N 1 1 468.646 3.448 20 0 JGADMO COCCO[C@@H](C)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301968283 1066273499 /nfs/dbraw/zinc/27/34/99/1066273499.db2.gz HAYYCQFPWJFALU-FQEVSTJZSA-N 1 1 479.666 3.246 20 0 JGADMO COCC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301460244 1066280874 /nfs/dbraw/zinc/28/08/74/1066280874.db2.gz SXSLHZAGGBPORK-KBMIEXCESA-N 1 1 475.609 3.094 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301984696 1066295203 /nfs/dbraw/zinc/29/52/03/1066295203.db2.gz PQEDMQWKWPOUNN-SRCYTUNASA-N 1 1 493.693 3.144 20 0 JGADMO COCCC1(Cn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC001301472132 1066296496 /nfs/dbraw/zinc/29/64/96/1066296496.db2.gz QCRCECOGFMZTJY-OYRHEFFESA-N 1 1 458.651 3.426 20 0 JGADMO COCCC1(Cn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC001301472132 1066296516 /nfs/dbraw/zinc/29/65/16/1066296516.db2.gz QCRCECOGFMZTJY-OYRHEFFESA-N 1 1 458.651 3.426 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001301986240 1066299011 /nfs/dbraw/zinc/29/90/11/1066299011.db2.gz DCSPBOQDNDUDPZ-FUHIMQAGSA-N 1 1 465.639 3.462 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001301986484 1066299482 /nfs/dbraw/zinc/29/94/82/1066299482.db2.gz YAFXYRBBMYKABG-YPAWHYETSA-N 1 1 471.646 3.365 20 0 JGADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1[nH]ncc1I ZINC001301485934 1066309137 /nfs/dbraw/zinc/30/91/37/1066309137.db2.gz GDGCJYBEYSSNER-OAHLLOKOSA-N 1 1 450.324 3.046 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cs1 ZINC001301485884 1066309179 /nfs/dbraw/zinc/30/91/79/1066309179.db2.gz CSSOJAKFCNOOCT-DJIMGWMZSA-N 1 1 450.605 3.102 20 0 JGADMO COCCC1(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001301485786 1066309430 /nfs/dbraw/zinc/30/94/30/1066309430.db2.gz ZHRNNDKLJNQNGW-OAQYLSRUSA-N 1 1 463.667 3.316 20 0 JGADMO COCCC1(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001301485786 1066309452 /nfs/dbraw/zinc/30/94/52/1066309452.db2.gz ZHRNNDKLJNQNGW-OAQYLSRUSA-N 1 1 463.667 3.316 20 0 JGADMO COCCc1noc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001301496467 1066322664 /nfs/dbraw/zinc/32/26/64/1066322664.db2.gz QJAKGQZYEAFEHX-LJQANCHMSA-N 1 1 497.644 3.172 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001301999395 1066331036 /nfs/dbraw/zinc/33/10/36/1066331036.db2.gz CGDCGWNBCBBODE-VIZSFHNOSA-N 1 1 473.687 3.338 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001301999395 1066331052 /nfs/dbraw/zinc/33/10/52/1066331052.db2.gz CGDCGWNBCBBODE-VIZSFHNOSA-N 1 1 473.687 3.338 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC=CCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301999603 1066331680 /nfs/dbraw/zinc/33/16/80/1066331680.db2.gz HESRVTALTDNJRA-JTHBVZDNSA-N 1 1 455.603 3.060 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCCCC1)S(C)(=O)=O ZINC001302001177 1066334992 /nfs/dbraw/zinc/33/49/92/1066334992.db2.gz HLDJXHSUOGBNCM-VQTJNVASSA-N 1 1 472.659 3.025 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301512700 1066340471 /nfs/dbraw/zinc/34/04/71/1066340471.db2.gz UPVPJIYKIIQUHT-LEWJYISDSA-N 1 1 457.619 3.317 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302007737 1066349496 /nfs/dbraw/zinc/34/94/96/1066349496.db2.gz KJHOGCRHTAOADK-JKSUJKDBSA-N 1 1 456.513 3.240 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302011110 1066354482 /nfs/dbraw/zinc/35/44/82/1066354482.db2.gz IIADPSJKUFZHPD-XUVXKRRUSA-N 1 1 489.665 3.372 20 0 JGADMO COCCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301528883 1066357359 /nfs/dbraw/zinc/35/73/59/1066357359.db2.gz WZVJIXIAMJPFLG-YLJYHZDGSA-N 1 1 495.466 3.020 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)c1cccs1 ZINC001302017445 1066367603 /nfs/dbraw/zinc/36/76/03/1066367603.db2.gz YYUPRJRPRWWGEW-NTKDMRAZSA-N 1 1 477.675 3.342 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)c1cccs1 ZINC001302017447 1066367644 /nfs/dbraw/zinc/36/76/44/1066367644.db2.gz YYUPRJRPRWWGEW-YADARESESA-N 1 1 477.675 3.342 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302023459 1066378591 /nfs/dbraw/zinc/37/85/91/1066378591.db2.gz IKGUZZFHSVWTMW-ZZLPTCMGSA-N 1 1 463.667 3.375 20 0 JGADMO COCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301552336 1066380045 /nfs/dbraw/zinc/38/00/45/1066380045.db2.gz NVLVBMUWVHCOSM-UHFFFAOYSA-N 1 1 469.428 3.009 20 0 JGADMO COCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301552336 1066380062 /nfs/dbraw/zinc/38/00/62/1066380062.db2.gz NVLVBMUWVHCOSM-UHFFFAOYSA-N 1 1 469.428 3.009 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302027150 1066387307 /nfs/dbraw/zinc/38/73/07/1066387307.db2.gz HXUXZDXLWCBYQW-LSDHHAIUSA-N 1 1 455.390 3.361 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302030216 1066394512 /nfs/dbraw/zinc/39/45/12/1066394512.db2.gz MSZJRSCRTNBWFJ-WXVAWEFUSA-N 1 1 485.673 3.388 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302030211 1066394587 /nfs/dbraw/zinc/39/45/87/1066394587.db2.gz MSZJRSCRTNBWFJ-AMGIVPHBSA-N 1 1 485.673 3.388 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CC[N@@H+]1CC=CCC1 ZINC001302037131 1066407642 /nfs/dbraw/zinc/40/76/42/1066407642.db2.gz KPEUMRRHPAKSHF-FQEVSTJZSA-N 1 1 455.603 3.144 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302039287 1066411593 /nfs/dbraw/zinc/41/15/93/1066411593.db2.gz VHWYJPAMNPDIQP-NFBKMPQASA-N 1 1 489.636 3.369 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302040535 1066413562 /nfs/dbraw/zinc/41/35/62/1066413562.db2.gz BVDZYKVPMDHEKF-RBUKOAKNSA-N 1 1 478.037 3.187 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302040832 1066414243 /nfs/dbraw/zinc/41/42/43/1066414243.db2.gz DXUVMCJYMCFVEW-ZCNNSNEGSA-N 1 1 486.661 3.422 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302040829 1066414385 /nfs/dbraw/zinc/41/43/85/1066414385.db2.gz DXUVMCJYMCFVEW-HSALFYBXSA-N 1 1 486.661 3.422 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3ccccc3CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302042104 1066417894 /nfs/dbraw/zinc/41/78/94/1066417894.db2.gz PJKYBLLWWLMHLO-FGZHOGPDSA-N 1 1 471.646 3.108 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3cc(F)ccc3C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302042324 1066419271 /nfs/dbraw/zinc/41/92/71/1066419271.db2.gz KUIPRHDYJCUVLP-UXHICEINSA-N 1 1 475.609 3.205 20 0 JGADMO COCCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001301590066 1066428039 /nfs/dbraw/zinc/42/80/39/1066428039.db2.gz CQRXYQWTUNTRLQ-FQEVSTJZSA-N 1 1 450.587 3.082 20 0 JGADMO COCCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001301590066 1066428047 /nfs/dbraw/zinc/42/80/47/1066428047.db2.gz CQRXYQWTUNTRLQ-FQEVSTJZSA-N 1 1 450.587 3.082 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001302050772 1066435799 /nfs/dbraw/zinc/43/57/99/1066435799.db2.gz NATQKBNHEKOPTI-MRXNPFEDSA-N 1 1 467.540 3.245 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302051244 1066437415 /nfs/dbraw/zinc/43/74/15/1066437415.db2.gz XNIVFXPMJDQBTR-DOTOQJQBSA-N 1 1 456.557 3.097 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302051954 1066438673 /nfs/dbraw/zinc/43/86/73/1066438673.db2.gz ALVJCBPHCPQSEI-GIVPXCGWSA-N 1 1 489.665 3.273 20 0 JGADMO COCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001301601506 1066445355 /nfs/dbraw/zinc/44/53/55/1066445355.db2.gz CJONAGGZSSFFHS-SFTDATJTSA-N 1 1 492.665 3.076 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001301606206 1066450987 /nfs/dbraw/zinc/45/09/87/1066450987.db2.gz BJUCUCCUQOCMBW-IAGOWNOFSA-N 1 1 466.424 3.290 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCS(=O)(=O)CC1 ZINC001301606185 1066451055 /nfs/dbraw/zinc/45/10/55/1066451055.db2.gz BFDYTHWNBVMHBX-UHFFFAOYSA-N 1 1 498.074 3.016 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001301606738 1066452378 /nfs/dbraw/zinc/45/23/78/1066452378.db2.gz DALMKSHBTDCPAM-HXOBKFHXSA-N 1 1 482.000 3.090 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001301607083 1066452927 /nfs/dbraw/zinc/45/29/27/1066452927.db2.gz ISPNPCWFIXWYHM-QAPCUYQASA-N 1 1 451.413 3.383 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@]2(CCOC2)C1 ZINC001301607763 1066455119 /nfs/dbraw/zinc/45/51/19/1066455119.db2.gz QEDDRQCTRWAIOY-QFIPXVFZSA-N 1 1 496.425 3.432 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001301608998 1066456399 /nfs/dbraw/zinc/45/63/99/1066456399.db2.gz GACOFMLISHWGEA-OAQYLSRUSA-N 1 1 458.994 3.473 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001301609042 1066456414 /nfs/dbraw/zinc/45/64/14/1066456414.db2.gz GKSZMSPBXPQDQG-QGZVFWFLSA-N 1 1 455.529 3.181 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302061646 1066459997 /nfs/dbraw/zinc/45/99/97/1066459997.db2.gz UPSQESBEJUEEJL-SFHVURJKSA-N 1 1 470.584 3.487 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302063229 1066461102 /nfs/dbraw/zinc/46/11/02/1066461102.db2.gz GBVGWWFTBRFXCM-NRFANRHFSA-N 1 1 488.702 3.273 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001301613244 1066462411 /nfs/dbraw/zinc/46/24/11/1066462411.db2.gz KNANNJPDWJVIFO-LVCYWYKZSA-N 1 1 461.632 3.089 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001301613743 1066463147 /nfs/dbraw/zinc/46/31/47/1066463147.db2.gz QJJHNEQVAREXQB-CQSZACIVSA-N 1 1 473.462 3.071 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001301613623 1066463287 /nfs/dbraw/zinc/46/32/87/1066463287.db2.gz NMTRMXWUPOCWRE-QHCPKHFHSA-N 1 1 456.635 3.123 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C ZINC001301613862 1066463850 /nfs/dbraw/zinc/46/38/50/1066463850.db2.gz SFNRGBTWOAGPIE-NJYVYQBISA-N 1 1 494.681 3.180 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302065594 1066465043 /nfs/dbraw/zinc/46/50/43/1066465043.db2.gz MGRGAFUPGMGGQD-OFVILXPXSA-N 1 1 476.065 3.260 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001301616807 1066466465 /nfs/dbraw/zinc/46/64/65/1066466465.db2.gz CQHIXELMZAEDFD-KDURUIRLSA-N 1 1 475.588 3.212 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001301617523 1066468709 /nfs/dbraw/zinc/46/87/09/1066468709.db2.gz JQLJCUSRDBCTIH-NQIIRXRSSA-N 1 1 494.562 3.405 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCn1c(C)nc2ccccc21 ZINC001302066834 1066468658 /nfs/dbraw/zinc/46/86/58/1066468658.db2.gz GWZYUHAMNKNDTM-HXUWFJFHSA-N 1 1 469.634 3.281 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001301617921 1066469441 /nfs/dbraw/zinc/46/94/41/1066469441.db2.gz LCAXITJONXUXLF-PSWRPDDJSA-N 1 1 463.667 3.169 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302068478 1066471979 /nfs/dbraw/zinc/47/19/79/1066471979.db2.gz PSDOIDIFLCBFSW-XMSQKQJNSA-N 1 1 493.052 3.017 20 0 JGADMO COCCC[N@@H+](C)CCn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001301618853 1066472024 /nfs/dbraw/zinc/47/20/24/1066472024.db2.gz QKMQBRRYOCOQJZ-UHFFFAOYSA-N 1 1 462.664 3.004 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001302069461 1066473940 /nfs/dbraw/zinc/47/39/40/1066473940.db2.gz VPMXCPYIBYQQQF-QFIPXVFZSA-N 1 1 496.660 3.168 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302071698 1066480510 /nfs/dbraw/zinc/48/05/10/1066480510.db2.gz PHYHXBGSEXQCPI-RTWAWAEBSA-N 1 1 492.709 3.207 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCO1 ZINC001302074195 1066486291 /nfs/dbraw/zinc/48/62/91/1066486291.db2.gz ZXVKHESTZJBQLU-SIKLNZKXSA-N 1 1 461.582 3.033 20 0 JGADMO COCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301628927 1066488828 /nfs/dbraw/zinc/48/88/28/1066488828.db2.gz WNNOXMJRQWHKHS-MRXNPFEDSA-N 1 1 465.440 3.393 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302077443 1066489302 /nfs/dbraw/zinc/48/93/02/1066489302.db2.gz NSFJXZGPOFBZEF-JTHBVZDNSA-N 1 1 482.673 3.069 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[NH+]1CCCO ZINC001302079142 1066493308 /nfs/dbraw/zinc/49/33/08/1066493308.db2.gz HZXWXYGMMXNGMB-HSZRJFAPSA-N 1 1 472.653 3.274 20 0 JGADMO CC(C)(C)c1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302079142 1066493311 /nfs/dbraw/zinc/49/33/11/1066493311.db2.gz HZXWXYGMMXNGMB-HSZRJFAPSA-N 1 1 472.653 3.274 20 0 JGADMO CC(C)(C)c1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302079142 1066493315 /nfs/dbraw/zinc/49/33/15/1066493315.db2.gz HZXWXYGMMXNGMB-HSZRJFAPSA-N 1 1 472.653 3.274 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302079061 1066493434 /nfs/dbraw/zinc/49/34/34/1066493434.db2.gz WGYSLEFLNNXUMZ-QZTJIDSGSA-N 1 1 483.583 3.479 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCOC1CCCC1 ZINC001302080811 1066498345 /nfs/dbraw/zinc/49/83/45/1066498345.db2.gz ZSKNRZXPYUGXDC-UHFFFAOYSA-N 1 1 460.667 3.059 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCOC1CCCC1 ZINC001302080811 1066498351 /nfs/dbraw/zinc/49/83/51/1066498351.db2.gz ZSKNRZXPYUGXDC-UHFFFAOYSA-N 1 1 460.667 3.059 20 0 JGADMO COCCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301637940 1066501781 /nfs/dbraw/zinc/50/17/81/1066501781.db2.gz YMBWCIFNAKDGHW-UHFFFAOYSA-N 1 1 458.010 3.308 20 0 JGADMO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302084333 1066507614 /nfs/dbraw/zinc/50/76/14/1066507614.db2.gz QPXWDXZOCQWWMH-UHFFFAOYSA-N 1 1 486.636 3.178 20 0 JGADMO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302084333 1066507625 /nfs/dbraw/zinc/50/76/25/1066507625.db2.gz QPXWDXZOCQWWMH-UHFFFAOYSA-N 1 1 486.636 3.178 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H]1OCCC1(C)C ZINC001302088730 1066514426 /nfs/dbraw/zinc/51/44/26/1066514426.db2.gz GOSSHNFJJZPSMD-QUCCMNQESA-N 1 1 463.648 3.201 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H]1OCCC1(C)C ZINC001302088729 1066514469 /nfs/dbraw/zinc/51/44/69/1066514469.db2.gz GOSSHNFJJZPSMD-ICSRJNTNSA-N 1 1 463.648 3.201 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccn3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301648943 1066514517 /nfs/dbraw/zinc/51/45/17/1066514517.db2.gz GCKZPRPBRCPQAK-FUPPJEDESA-N 1 1 469.678 3.346 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCOC1 ZINC001302090442 1066517588 /nfs/dbraw/zinc/51/75/88/1066517588.db2.gz VHAKELVAQPLGGT-MQSCRBSSSA-N 1 1 457.619 3.139 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C)cc1F ZINC001302091180 1066518883 /nfs/dbraw/zinc/51/88/83/1066518883.db2.gz AKBQFYIFUOOGAY-PMACEKPBSA-N 1 1 475.609 3.187 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC1(O)CCCCCC1 ZINC001302091640 1066519357 /nfs/dbraw/zinc/51/93/57/1066519357.db2.gz FVTPSAOPKSHRNR-RTWAWAEBSA-N 1 1 463.667 3.398 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccc(F)c(COC)c1 ZINC001302093467 1066521140 /nfs/dbraw/zinc/52/11/40/1066521140.db2.gz VMGFRBCQBNLNQE-RXVVDRJESA-N 1 1 461.582 3.010 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(OC)cc1 ZINC001302093344 1066521184 /nfs/dbraw/zinc/52/11/84/1066521184.db2.gz MNYIPHXUTHEFIW-PMACEKPBSA-N 1 1 457.619 3.370 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C/C=C\c1ccccc1 ZINC001302094860 1066523873 /nfs/dbraw/zinc/52/38/73/1066523873.db2.gz SLVZIVSRPDYOEL-OFZKMZNQSA-N 1 1 469.630 3.405 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301655998 1066524941 /nfs/dbraw/zinc/52/49/41/1066524941.db2.gz VXSJIUCJHICVKB-REWPJTCUSA-N 1 1 467.662 3.465 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCCC1CCOCC1 ZINC001302095653 1066524971 /nfs/dbraw/zinc/52/49/71/1066524971.db2.gz LWNFCCNMRJNXTF-HSZRJFAPSA-N 1 1 485.673 3.344 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302096136 1066526674 /nfs/dbraw/zinc/52/66/74/1066526674.db2.gz OVSZVCYFYNKINS-NRFANRHFSA-N 1 1 476.616 3.254 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302106056 1066540970 /nfs/dbraw/zinc/54/09/70/1066540970.db2.gz UYWFKHSOHCCAPL-DHIUTWEWSA-N 1 1 493.693 3.289 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCSC(C)(C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302105817 1066540997 /nfs/dbraw/zinc/54/09/97/1066540997.db2.gz QNFRGPUOTKTRHF-OTWHNJEPSA-N 1 1 469.696 3.222 20 0 JGADMO O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001301667861 1066545112 /nfs/dbraw/zinc/54/51/12/1066545112.db2.gz LOIRUDGKSKDYEQ-HSZRJFAPSA-N 1 1 452.551 3.456 20 0 JGADMO COCCCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001301670844 1066548147 /nfs/dbraw/zinc/54/81/47/1066548147.db2.gz IUKFMNFWFBERKP-JOCHJYFZSA-N 1 1 471.646 3.160 20 0 JGADMO COCCCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001301670844 1066548152 /nfs/dbraw/zinc/54/81/52/1066548152.db2.gz IUKFMNFWFBERKP-JOCHJYFZSA-N 1 1 471.646 3.160 20 0 JGADMO CC(=O)N1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001301673463 1066552426 /nfs/dbraw/zinc/55/24/26/1066552426.db2.gz BCBVDAAKFZKLJI-UHFFFAOYSA-N 1 1 473.691 3.203 20 0 JGADMO CC(=O)N1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC001301674068 1066553621 /nfs/dbraw/zinc/55/36/21/1066553621.db2.gz HJNKZYXTVXZMIS-OYRHEFFESA-N 1 1 488.721 3.451 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001301691760 1066578597 /nfs/dbraw/zinc/57/85/97/1066578597.db2.gz SAUMAYDSNNTHRI-GOSISDBHSA-N 1 1 496.450 3.156 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001301691398 1066578692 /nfs/dbraw/zinc/57/86/92/1066578692.db2.gz NRRAOGLCSIXRPP-UHFFFAOYSA-N 1 1 455.434 3.361 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001301691398 1066578708 /nfs/dbraw/zinc/57/87/08/1066578708.db2.gz NRRAOGLCSIXRPP-UHFFFAOYSA-N 1 1 455.434 3.361 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001301691398 1066578731 /nfs/dbraw/zinc/57/87/31/1066578731.db2.gz NRRAOGLCSIXRPP-UHFFFAOYSA-N 1 1 455.434 3.361 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001301691761 1066579276 /nfs/dbraw/zinc/57/92/76/1066579276.db2.gz SAUMAYDSNNTHRI-SFHVURJKSA-N 1 1 496.450 3.156 20 0 JGADMO COCCN(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301694857 1066582544 /nfs/dbraw/zinc/58/25/44/1066582544.db2.gz SQUZLAXFMSSDDK-KDURUIRLSA-N 1 1 452.603 3.464 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302139347 1066586680 /nfs/dbraw/zinc/58/66/80/1066586680.db2.gz CWCVZTFYFITUIP-NVQXNPDNSA-N 1 1 473.637 3.341 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302140967 1066588933 /nfs/dbraw/zinc/58/89/33/1066588933.db2.gz UMZXFDOODWOYQO-RUZDIDTESA-N 1 1 459.610 3.215 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302140967 1066588939 /nfs/dbraw/zinc/58/89/39/1066588939.db2.gz UMZXFDOODWOYQO-RUZDIDTESA-N 1 1 459.610 3.215 20 0 JGADMO CC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301700331 1066589636 /nfs/dbraw/zinc/58/96/36/1066589636.db2.gz WAKCPGPDLPQGPD-OYRHEFFESA-N 1 1 467.662 3.079 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302144465 1066593455 /nfs/dbraw/zinc/59/34/55/1066593455.db2.gz JCHPVEJKCCOYEM-JOCHJYFZSA-N 1 1 463.667 3.144 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C)c(C)s3)C[C@H]2C)CC1 ZINC001301707581 1066598188 /nfs/dbraw/zinc/59/81/88/1066598188.db2.gz DIKUQEVNTQWCOF-DYESRHJHSA-N 1 1 487.718 3.367 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301708409 1066600487 /nfs/dbraw/zinc/60/04/87/1066600487.db2.gz MNHNLIFFYNHLEH-RCZVLFRGSA-N 1 1 482.673 3.448 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708420 1066600673 /nfs/dbraw/zinc/60/06/73/1066600673.db2.gz MQHOYFKZFGVHLG-IFMALSPDSA-N 1 1 462.683 3.017 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccsc3)C[C@H]2C)CC1 ZINC001301708486 1066601191 /nfs/dbraw/zinc/60/11/91/1066601191.db2.gz NVIQPGGEOQJHKF-KNQAVFIVSA-N 1 1 458.676 3.160 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708733 1066602155 /nfs/dbraw/zinc/60/21/55/1066602155.db2.gz PSCSXEGZXYVYQH-FYYLOGMGSA-N 1 1 462.683 3.233 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(F)c3)C[C@@H]2C)CC1 ZINC001301709355 1066602704 /nfs/dbraw/zinc/60/27/04/1066602704.db2.gz UDPPRMWERCTHST-PGRDOPGGSA-N 1 1 456.610 3.142 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCCCS3)C[C@@H]2C)CC1 ZINC001301709377 1066602742 /nfs/dbraw/zinc/60/27/42/1066602742.db2.gz UQTJDSIRTPBQSX-ILWGZMRPSA-N 1 1 462.708 3.141 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC4CCCC4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001301709652 1066603720 /nfs/dbraw/zinc/60/37/20/1066603720.db2.gz VPAAXHVZKARLPO-REWPJTCUSA-N 1 1 474.694 3.205 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3ccc4ccccc4n3)n2CC[N@@H+](C)C(C)C)C1 ZINC001302152194 1066604647 /nfs/dbraw/zinc/60/46/47/1066604647.db2.gz PHRJBGSVJKXHGT-NRFANRHFSA-N 1 1 452.603 3.465 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001301712649 1066609246 /nfs/dbraw/zinc/60/92/46/1066609246.db2.gz GUQTVBSPUUORBO-QGZVFWFLSA-N 1 1 461.916 3.334 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001301713291 1066611727 /nfs/dbraw/zinc/61/17/27/1066611727.db2.gz KGWCFGBNYAARAB-SIKLNZKXSA-N 1 1 475.659 3.086 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001301713408 1066612486 /nfs/dbraw/zinc/61/24/86/1066612486.db2.gz LMGNYBYWVCZVSU-AWEZNQCLSA-N 1 1 475.382 3.486 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C(=O)OC)CC1 ZINC001301714325 1066614973 /nfs/dbraw/zinc/61/49/73/1066614973.db2.gz RPJJDFMXFKZRPN-SFHVURJKSA-N 1 1 489.686 3.489 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCc2oncc2C1 ZINC001301714688 1066616719 /nfs/dbraw/zinc/61/67/19/1066616719.db2.gz VQIQUTZIGOUDFW-UHFFFAOYSA-N 1 1 493.381 3.366 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001302160032 1066617916 /nfs/dbraw/zinc/61/79/16/1066617916.db2.gz COVOEDUUVUIWIE-UHFFFAOYSA-N 1 1 485.677 3.335 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001302160032 1066617920 /nfs/dbraw/zinc/61/79/20/1066617920.db2.gz COVOEDUUVUIWIE-UHFFFAOYSA-N 1 1 485.677 3.335 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001301717198 1066619261 /nfs/dbraw/zinc/61/92/61/1066619261.db2.gz OMPOPBAPNJAGDP-CYFREDJKSA-N 1 1 478.037 3.341 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001301717805 1066619325 /nfs/dbraw/zinc/61/93/25/1066619325.db2.gz VQTAOKMBOYXVDO-JOCHJYFZSA-N 1 1 472.540 3.165 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001301718028 1066620000 /nfs/dbraw/zinc/62/00/00/1066620000.db2.gz ZKNHTKYJBYGTME-RUZDIDTESA-N 1 1 450.587 3.060 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C ZINC001301718116 1066620128 /nfs/dbraw/zinc/62/01/28/1066620128.db2.gz BOEYGENMWCSSIQ-SFTDATJTSA-N 1 1 494.681 3.180 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001301718475 1066620566 /nfs/dbraw/zinc/62/05/66/1066620566.db2.gz GFBUVDCGVGVTQJ-FXAWDEMLSA-N 1 1 465.545 3.240 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001301719742 1066621864 /nfs/dbraw/zinc/62/18/64/1066621864.db2.gz WGTTXAAUEMLBDF-GOTSBHOMSA-N 1 1 457.619 3.108 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001302163130 1066623314 /nfs/dbraw/zinc/62/33/14/1066623314.db2.gz YVJACOWYMGWKJU-PKTZIBPZSA-N 1 1 471.646 3.108 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001302163127 1066623393 /nfs/dbraw/zinc/62/33/93/1066623393.db2.gz YVJACOWYMGWKJU-DHIUTWEWSA-N 1 1 471.646 3.108 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001302164383 1066624910 /nfs/dbraw/zinc/62/49/10/1066624910.db2.gz YIVMNJHPSKJPRT-LJQANCHMSA-N 1 1 464.655 3.083 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001301722068 1066629050 /nfs/dbraw/zinc/62/90/50/1066629050.db2.gz NEZFOQOALUPULX-ZDUSSCGKSA-N 1 1 479.345 3.393 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001301722467 1066630310 /nfs/dbraw/zinc/63/03/10/1066630310.db2.gz QZOWLBVIUSFILM-MRXNPFEDSA-N 1 1 467.456 3.497 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001301723005 1066632804 /nfs/dbraw/zinc/63/28/04/1066632804.db2.gz UHUHGJBGSLIIGC-WTGUMLROSA-N 1 1 464.655 3.252 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C ZINC001301723007 1066632872 /nfs/dbraw/zinc/63/28/72/1066632872.db2.gz UHUHGJBGSLIIGC-ZGXWSNOMSA-N 1 1 464.655 3.252 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001302167249 1066633616 /nfs/dbraw/zinc/63/36/16/1066633616.db2.gz QLAJERKMHKPXAS-GOSISDBHSA-N 1 1 495.466 3.399 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001301723264 1066634037 /nfs/dbraw/zinc/63/40/37/1066634037.db2.gz XTANJTZUHOQUMB-QGZVFWFLSA-N 1 1 487.004 3.313 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001301725280 1066639011 /nfs/dbraw/zinc/63/90/11/1066639011.db2.gz BHBJGJYMERYAKX-UHFFFAOYSA-N 1 1 492.949 3.390 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001301725720 1066641043 /nfs/dbraw/zinc/64/10/43/1066641043.db2.gz JOGRPCAWGILLJN-GOTSBHOMSA-N 1 1 471.646 3.205 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001301726893 1066643757 /nfs/dbraw/zinc/64/37/57/1066643757.db2.gz WYFULAOQJBPGFF-MHZLTWQESA-N 1 1 484.689 3.122 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001301727636 1066644894 /nfs/dbraw/zinc/64/48/94/1066644894.db2.gz IBPVZASCBMPAFG-OAQYLSRUSA-N 1 1 473.515 3.192 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001301727354 1066645013 /nfs/dbraw/zinc/64/50/13/1066645013.db2.gz CARUSDAVJPQPND-UHFFFAOYSA-N 1 1 459.392 3.317 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC=C(COC)CC1 ZINC001301727826 1066645732 /nfs/dbraw/zinc/64/57/32/1066645732.db2.gz KXYIEVUAWXEQLF-UHFFFAOYSA-N 1 1 464.408 3.069 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001301727951 1066646465 /nfs/dbraw/zinc/64/64/65/1066646465.db2.gz PEERPLVJZSZPGN-UHFFFAOYSA-N 1 1 490.624 3.404 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001301728332 1066647231 /nfs/dbraw/zinc/64/72/31/1066647231.db2.gz ZGKHEDIYUNAORS-UHFFFAOYSA-N 1 1 498.531 3.364 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001301729788 1066647877 /nfs/dbraw/zinc/64/78/77/1066647877.db2.gz KZLQREQALRSTJA-RUZDIDTESA-N 1 1 467.618 3.104 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001301729811 1066648638 /nfs/dbraw/zinc/64/86/38/1066648638.db2.gz LZEXSPLQETUHFM-OAHLLOKOSA-N 1 1 496.563 3.173 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001301730535 1066649265 /nfs/dbraw/zinc/64/92/65/1066649265.db2.gz BLAMGIZXYSKLEU-UHFFFAOYSA-N 1 1 478.956 3.013 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001301730920 1066649900 /nfs/dbraw/zinc/64/99/00/1066649900.db2.gz GGMXAIKBAWXFDP-UHFFFAOYSA-N 1 1 468.433 3.152 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301731109 1066650635 /nfs/dbraw/zinc/65/06/35/1066650635.db2.gz JZTNHDZAHMJKBP-LEWJYISDSA-N 1 1 464.010 3.329 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001301732124 1066652016 /nfs/dbraw/zinc/65/20/16/1066652016.db2.gz REPSAGJKUQYOLG-BGYRXZFFSA-N 1 1 478.682 3.453 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001302177682 1066653006 /nfs/dbraw/zinc/65/30/06/1066653006.db2.gz YEZATVZQHKLTHR-FQEVSTJZSA-N 1 1 478.682 3.473 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301732897 1066653315 /nfs/dbraw/zinc/65/33/15/1066653315.db2.gz WTBVAGPOJYPHFN-LJQANCHMSA-N 1 1 450.628 3.007 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001301734962 1066656689 /nfs/dbraw/zinc/65/66/89/1066656689.db2.gz TZIKGMBZLFZMEH-HXUWFJFHSA-N 1 1 492.596 3.068 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001301735801 1066658120 /nfs/dbraw/zinc/65/81/20/1066658120.db2.gz DVAHXISAORYRBG-QFIPXVFZSA-N 1 1 471.646 3.184 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001301736296 1066658790 /nfs/dbraw/zinc/65/87/90/1066658790.db2.gz JXOAAJZTXRSGGB-NRFANRHFSA-N 1 1 459.591 3.226 20 0 JGADMO COCC[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001301736468 1066658876 /nfs/dbraw/zinc/65/88/76/1066658876.db2.gz MLNJTZHYHMMBOB-UHFFFAOYSA-N 1 1 468.627 3.120 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC001301738514 1066660088 /nfs/dbraw/zinc/66/00/88/1066660088.db2.gz SRFPCVRNZKIBPC-YGWSKSRPSA-N 1 1 457.615 3.477 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001301739533 1066660800 /nfs/dbraw/zinc/66/08/00/1066660800.db2.gz AIRGGGAARSGGPU-RTBURBONSA-N 1 1 466.671 3.283 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301739976 1066660954 /nfs/dbraw/zinc/66/09/54/1066660954.db2.gz GYALVBHSGYUDJT-LOSJGSFVSA-N 1 1 461.651 3.224 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCc3cccc(Br)c3C2)nnc1C(C)(C)C ZINC001301740453 1066662062 /nfs/dbraw/zinc/66/20/62/1066662062.db2.gz KVTVBPUAGZZJCY-UHFFFAOYSA-N 1 1 450.425 3.479 20 0 JGADMO COCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001301740422 1066662218 /nfs/dbraw/zinc/66/22/18/1066662218.db2.gz KDVCWINMVOJDFO-JWQCQUIFSA-N 1 1 498.716 3.406 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001301740422 1066662222 /nfs/dbraw/zinc/66/22/22/1066662222.db2.gz KDVCWINMVOJDFO-JWQCQUIFSA-N 1 1 498.716 3.406 20 0 JGADMO COc1ccc([C@H]2CN(C(=O)c3ccnc(Cl)c3I)CC[NH2+]2)cc1 ZINC001302185749 1066664556 /nfs/dbraw/zinc/66/45/56/1066664556.db2.gz WIFLBXBONMOLML-CQSZACIVSA-N 1 1 457.699 3.135 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)CC1 ZINC001302192229 1066676110 /nfs/dbraw/zinc/67/61/10/1066676110.db2.gz HJCYSGVKVFPPAB-PGRDOPGGSA-N 1 1 469.721 3.024 20 0 JGADMO COCCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[C@@H](C)C1 ZINC001301748253 1066676527 /nfs/dbraw/zinc/67/65/27/1066676527.db2.gz KCGDTQCXNPEJLE-QHAWAJNXSA-N 1 1 457.619 3.316 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CC1 ZINC001302192475 1066676965 /nfs/dbraw/zinc/67/69/65/1066676965.db2.gz IKZKBRHTHRYKIK-FQEVSTJZSA-N 1 1 481.707 3.088 20 0 JGADMO COCCOCc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001302193666 1066679632 /nfs/dbraw/zinc/67/96/32/1066679632.db2.gz JBXVNCWPOVLJBW-UHFFFAOYSA-N 1 1 481.645 3.201 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCCO)CC1 ZINC001302194102 1066681107 /nfs/dbraw/zinc/68/11/07/1066681107.db2.gz BAEMFSAFFOAUOX-UHFFFAOYSA-N 1 1 467.618 3.045 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001302194582 1066682174 /nfs/dbraw/zinc/68/21/74/1066682174.db2.gz GVCHPEDCZMZKCU-UHFFFAOYSA-N 1 1 475.037 3.191 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCn2cc(CO)nn2)CC1 ZINC001302195332 1066684358 /nfs/dbraw/zinc/68/43/58/1066684358.db2.gz QMURFHBQQBCKRY-UHFFFAOYSA-N 1 1 473.025 3.083 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001302195552 1066685228 /nfs/dbraw/zinc/68/52/28/1066685228.db2.gz VOCASDXMVDGZQJ-UHFFFAOYSA-N 1 1 493.027 3.330 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001302196066 1066685852 /nfs/dbraw/zinc/68/58/52/1066685852.db2.gz ZAMKFYTVJCCQRU-QGZVFWFLSA-N 1 1 466.051 3.344 20 0 JGADMO COCCOCc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001302196868 1066687838 /nfs/dbraw/zinc/68/78/38/1066687838.db2.gz YOLODWOCHZFHCC-UHFFFAOYSA-N 1 1 464.614 3.472 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCOC2)CC1 ZINC001302199532 1066691399 /nfs/dbraw/zinc/69/13/99/1066691399.db2.gz FPCHBEGOZZESND-SFHVURJKSA-N 1 1 460.648 3.007 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001301757972 1066692935 /nfs/dbraw/zinc/69/29/35/1066692935.db2.gz DYOXBFBSQSPLOX-RTBURBONSA-N 1 1 475.037 3.299 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001301757982 1066692952 /nfs/dbraw/zinc/69/29/52/1066692952.db2.gz FQRPRNMLZJSWTC-FQEVSTJZSA-N 1 1 465.602 3.208 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001302200038 1066693279 /nfs/dbraw/zinc/69/32/79/1066693279.db2.gz JAKOXTQCHSKRLK-SFHVURJKSA-N 1 1 495.640 3.425 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)CC1 ZINC001302200575 1066694636 /nfs/dbraw/zinc/69/46/36/1066694636.db2.gz OVHWFSXQZBYUBB-UHFFFAOYSA-N 1 1 487.450 3.234 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CC1 ZINC001302200643 1066694718 /nfs/dbraw/zinc/69/47/18/1066694718.db2.gz QCFULBUBUVWFCV-HXUWFJFHSA-N 1 1 481.707 3.230 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CCCOCC2CCOCC2)CC1 ZINC001302200842 1066695368 /nfs/dbraw/zinc/69/53/68/1066695368.db2.gz SFZGEDZVUWFUBX-QFIPXVFZSA-N 1 1 463.667 3.316 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+](C)C2CCCC2)[C@@H](C)C1 ZINC001301759762 1066696724 /nfs/dbraw/zinc/69/67/24/1066696724.db2.gz PBOBMCFPPRCSBO-FQEVSTJZSA-N 1 1 454.619 3.097 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301759734 1066696744 /nfs/dbraw/zinc/69/67/44/1066696744.db2.gz ORGOTAVAAICWRA-SZPZYZBQSA-N 1 1 498.672 3.030 20 0 JGADMO COCCN(c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCOCC1(C)C)[C@H]1CC[C@@H](C)C1 ZINC001301760053 1066697249 /nfs/dbraw/zinc/69/72/49/1066697249.db2.gz ZADSODGUXWEJLV-IRLDBZIGSA-N 1 1 456.635 3.016 20 0 JGADMO COCCN(c1nnc(Cc2ccncc2)n1CC[N@H+]1CCOCC1(C)C)[C@H]1CC[C@@H](C)C1 ZINC001301760053 1066697256 /nfs/dbraw/zinc/69/72/56/1066697256.db2.gz ZADSODGUXWEJLV-IRLDBZIGSA-N 1 1 456.635 3.016 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001301759763 1066697398 /nfs/dbraw/zinc/69/73/98/1066697398.db2.gz PBOBMCFPPRCSBO-HXUWFJFHSA-N 1 1 454.619 3.097 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)c(F)c3F)C[C@H]2C)CC1 ZINC001301762430 1066700570 /nfs/dbraw/zinc/70/05/70/1066700570.db2.gz ALPBYQRFBKOTJC-UTKZUKDTSA-N 1 1 492.590 3.125 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCOc3cccc(F)c3)C[C@H]2C)CC1 ZINC001301762483 1066701191 /nfs/dbraw/zinc/70/11/91/1066701191.db2.gz BRGAXPPGGPVSCZ-AUSIDOKSSA-N 1 1 486.636 3.074 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCCOC(C)C)C[C@H]2C)CC1 ZINC001301762933 1066701998 /nfs/dbraw/zinc/70/19/98/1066701998.db2.gz DHAQSWDKKABNHQ-DENIHFKCSA-N 1 1 472.634 3.041 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3nc(C(C)C)cs3)C[C@H]2C)CC1 ZINC001301763496 1066703158 /nfs/dbraw/zinc/70/31/58/1066703158.db2.gz GLCTZUJUYHDKIT-XLIONFOSSA-N 1 1 459.664 3.019 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCCSCC(C)C)C[C@@H]2C)CC1 ZINC001301763662 1066703783 /nfs/dbraw/zinc/70/37/83/1066703783.db2.gz GTKQWTPHPRLDSJ-FPOVZHCZSA-N 1 1 450.697 3.170 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CC(C)(C)C(F)(F)F)C[C@@H]2C)CC1 ZINC001301764037 1066704357 /nfs/dbraw/zinc/70/43/57/1066704357.db2.gz IAQSYBHVWFTDLZ-QXAKKESOSA-N 1 1 486.583 3.097 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3cccc(F)c3)C[C@H]2C)CC1 ZINC001301764679 1066705302 /nfs/dbraw/zinc/70/53/02/1066705302.db2.gz JUZYGVRAWCLBKH-SELNLUPBSA-N 1 1 486.636 3.171 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001301764632 1066705352 /nfs/dbraw/zinc/70/53/52/1066705352.db2.gz QVRMWYTZMQBDDA-HXUWFJFHSA-N 1 1 482.673 3.410 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCSCC(C)C)C[C@@H]2C)CC1 ZINC001301767218 1066709334 /nfs/dbraw/zinc/70/93/34/1066709334.db2.gz PTEJLQTVOUEEDA-WMZHIEFXSA-N 1 1 485.702 3.027 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCCCCCO)C[C@H]2C)CC1 ZINC001301767519 1066709773 /nfs/dbraw/zinc/70/97/73/1066709773.db2.gz QMAXGCZTHMJODG-XXBNENTESA-N 1 1 489.064 3.140 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCCCCCO)C[C@@H]2C)CC1 ZINC001301767517 1066709926 /nfs/dbraw/zinc/70/99/26/1066709926.db2.gz QMAXGCZTHMJODG-WMZHIEFXSA-N 1 1 489.064 3.140 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCSCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301767510 1066709944 /nfs/dbraw/zinc/70/99/44/1066709944.db2.gz QKEYWMOBAGWKKP-WMZOPIPTSA-N 1 1 490.640 3.151 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3c(C)cc(C)cc3C)C[C@H]2C)CC1 ZINC001301768597 1066711491 /nfs/dbraw/zinc/71/14/91/1066711491.db2.gz XPMLKUYREXJDOB-ZJSXRUAMSA-N 1 1 452.647 3.364 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCSc3ccccc3)C[C@@H]2C)CC1 ZINC001301768389 1066711510 /nfs/dbraw/zinc/71/15/10/1066711510.db2.gz VVOIFBOKHBZHPT-SIKLNZKXSA-N 1 1 470.687 3.357 20 0 JGADMO COCCN(CC(C)C)c1nnc([C@H]2CCCOC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301772603 1066716001 /nfs/dbraw/zinc/71/60/01/1066716001.db2.gz OLMIRXTUTBEKHY-HBMCJLEFSA-N 1 1 451.656 3.169 20 0 JGADMO CC(C)(C)OC(=O)N1CC=C(Cn2c(N3CC[NH+](C[C@H]4CCCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001302221421 1066727571 /nfs/dbraw/zinc/72/75/71/1066727571.db2.gz VJTGGXZQFIZIBL-OAQYLSRUSA-N 1 1 488.677 3.444 20 0 JGADMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 ZINC001301781490 1066730933 /nfs/dbraw/zinc/73/09/33/1066730933.db2.gz DXSZOUVQQVUYAJ-HSZRJFAPSA-N 1 1 455.624 3.103 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001301789228 1066739450 /nfs/dbraw/zinc/73/94/50/1066739450.db2.gz MVGAYXQDFMWMIS-UHFFFAOYSA-N 1 1 478.645 3.457 20 0 JGADMO CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001302226729 1066739797 /nfs/dbraw/zinc/73/97/97/1066739797.db2.gz LAIGQRMROYOTDY-JOCHJYFZSA-N 1 1 458.647 3.346 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC=CCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302227719 1066740829 /nfs/dbraw/zinc/74/08/29/1066740829.db2.gz DCXLSORCWCFRMW-IBGZPJMESA-N 1 1 460.623 3.227 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC=CCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302227719 1066740831 /nfs/dbraw/zinc/74/08/31/1066740831.db2.gz DCXLSORCWCFRMW-IBGZPJMESA-N 1 1 460.623 3.227 20 0 JGADMO CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001301794107 1066743944 /nfs/dbraw/zinc/74/39/44/1066743944.db2.gz AHYHWJAYBDUOPO-NRFANRHFSA-N 1 1 454.619 3.032 20 0 JGADMO CC(=O)Nc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001301796482 1066747928 /nfs/dbraw/zinc/74/79/28/1066747928.db2.gz VKYZVZZYJPXUFA-QHCPKHFHSA-N 1 1 484.645 3.321 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301799195 1066751656 /nfs/dbraw/zinc/75/16/56/1066751656.db2.gz ZBEIOBVTXDWEEZ-IVCWUUCSSA-N 1 1 489.709 3.056 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@H+](C)C(C)C)CC1 ZINC001301804740 1066757195 /nfs/dbraw/zinc/75/71/95/1066757195.db2.gz ZKONDPHWMKQJFQ-UHFFFAOYSA-N 1 1 484.645 3.330 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302238312 1066759113 /nfs/dbraw/zinc/75/91/13/1066759113.db2.gz PVJYYGWKBJTWTQ-QRICJDHISA-N 1 1 475.609 3.307 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC(F)(F)F ZINC001302238421 1066759120 /nfs/dbraw/zinc/75/91/20/1066759120.db2.gz KSIDXHLNCBFDOY-FHWLQOOXSA-N 1 1 453.509 3.275 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2CCn2cc[nH+]c2C)CC1 ZINC001301807429 1066760845 /nfs/dbraw/zinc/76/08/45/1066760845.db2.gz FPMQOHCLCIEYHZ-UHFFFAOYSA-N 1 1 471.556 3.236 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301807610 1066761437 /nfs/dbraw/zinc/76/14/37/1066761437.db2.gz HVWPYMMBGZLSKK-BOMBAVFCSA-N 1 1 467.662 3.268 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)c2cc(OC)cc(OC)c2)n1CC[N@@H+]1CC=CCC1 ZINC001302245608 1066775598 /nfs/dbraw/zinc/77/55/98/1066775598.db2.gz YQCNSXZCEUICHP-AVRDEDQJSA-N 1 1 457.575 3.049 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001301817387 1066775724 /nfs/dbraw/zinc/77/57/24/1066775724.db2.gz CGAKQCLNLKMVTM-QAPCUYQASA-N 1 1 493.425 3.436 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001301819221 1066780140 /nfs/dbraw/zinc/78/01/40/1066780140.db2.gz SOJKJRPKVAFYIN-NRFANRHFSA-N 1 1 454.550 3.223 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301826324 1066790307 /nfs/dbraw/zinc/79/03/07/1066790307.db2.gz YGBYYAFSQXJYAP-KNKQGSTJSA-N 1 1 475.037 3.233 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301826398 1066790335 /nfs/dbraw/zinc/79/03/35/1066790335.db2.gz DGVQVSRAYJTJRB-YYDVJCTNSA-N 1 1 486.636 3.001 20 0 JGADMO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302252614 1066790955 /nfs/dbraw/zinc/79/09/55/1066790955.db2.gz FHJGALHJQWALIF-WOJBJXKFSA-N 1 1 460.623 3.133 20 0 JGADMO COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001301828306 1066794109 /nfs/dbraw/zinc/79/41/09/1066794109.db2.gz YGVHTRMUADLINC-UHFFFAOYSA-N 1 1 488.434 3.108 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301829556 1066794876 /nfs/dbraw/zinc/79/48/76/1066794876.db2.gz OMNSOFBKPMKYBN-ZFGGDYGUSA-N 1 1 452.647 3.289 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001301830061 1066795960 /nfs/dbraw/zinc/79/59/60/1066795960.db2.gz YDTIEFBABVTANZ-NFBKMPQASA-N 1 1 453.635 3.023 20 0 JGADMO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCn2cc[nH+]c2C)CC1 ZINC001301835765 1066804582 /nfs/dbraw/zinc/80/45/82/1066804582.db2.gz SDYNXFZBZIYCFP-IBGZPJMESA-N 1 1 465.602 3.345 20 0 JGADMO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001301836074 1066805066 /nfs/dbraw/zinc/80/50/66/1066805066.db2.gz VNMPNUSQPSGJPW-KRWDZBQOSA-N 1 1 469.565 3.257 20 0 JGADMO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001301836075 1066805111 /nfs/dbraw/zinc/80/51/11/1066805111.db2.gz VNMPNUSQPSGJPW-QGZVFWFLSA-N 1 1 469.565 3.257 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301839386 1066810608 /nfs/dbraw/zinc/81/06/08/1066810608.db2.gz NUKBPJJNNWNXAB-DLBZAZTESA-N 1 1 460.026 3.219 20 0 JGADMO COCCn1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC001301850213 1066824498 /nfs/dbraw/zinc/82/44/98/1066824498.db2.gz OBMSWSMJHSOTNB-UHFFFAOYSA-N 1 1 455.607 3.294 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001301860066 1066844790 /nfs/dbraw/zinc/84/47/90/1066844790.db2.gz YKZSWTFYFDTLDP-OAQYLSRUSA-N 1 1 452.647 3.377 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301863235 1066850760 /nfs/dbraw/zinc/85/07/60/1066850760.db2.gz GHOTZMIPTMABSL-ILWGZMRPSA-N 1 1 460.667 3.383 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301863375 1066851354 /nfs/dbraw/zinc/85/13/54/1066851354.db2.gz HDBPQTIHTDYLKE-OYDLWJJNSA-N 1 1 468.646 3.045 20 0 JGADMO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC001301863718 1066852011 /nfs/dbraw/zinc/85/20/11/1066852011.db2.gz BDRHZWGVVZHRJA-OUIFVKKZSA-N 1 1 457.615 3.383 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CCCO)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302285015 1066855787 /nfs/dbraw/zinc/85/57/87/1066855787.db2.gz XCLJOKWTYXKYPL-SCPDWHHUSA-N 1 1 463.667 3.111 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@H](C)SC ZINC001302285917 1066856861 /nfs/dbraw/zinc/85/68/61/1066856861.db2.gz BDHXXHKOMBDYCL-UVUJQTEASA-N 1 1 459.660 3.464 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H](C)SC ZINC001302285915 1066856943 /nfs/dbraw/zinc/85/69/43/1066856943.db2.gz BDHXXHKOMBDYCL-GBAJDQEWSA-N 1 1 459.660 3.464 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@H](C)SC ZINC001302285916 1066856987 /nfs/dbraw/zinc/85/69/87/1066856987.db2.gz BDHXXHKOMBDYCL-QESAQDPVSA-N 1 1 459.660 3.464 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC[N@@H+](C)C(C)C ZINC001302287572 1066861447 /nfs/dbraw/zinc/86/14/47/1066861447.db2.gz YXZQHMQCIDXWLM-REWPJTCUSA-N 1 1 499.660 3.133 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CCCn2cc[nH+]c2C)C1 ZINC001301870816 1066863440 /nfs/dbraw/zinc/86/34/40/1066863440.db2.gz BLXXCKGJHKDOBP-JOCHJYFZSA-N 1 1 465.602 3.113 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301870809 1066863558 /nfs/dbraw/zinc/86/35/58/1066863558.db2.gz BIZLLSURMZDDNC-LADGPHEKSA-N 1 1 498.672 3.019 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001302292107 1066871843 /nfs/dbraw/zinc/87/18/43/1066871843.db2.gz LWSGEDRETXTWOB-URVUXULASA-N 1 1 477.650 3.046 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001301873984 1066873978 /nfs/dbraw/zinc/87/39/78/1066873978.db2.gz CPYUINLEPQAAGP-QGZVFWFLSA-N 1 1 484.567 3.311 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCCCO2)C[C@H]1C ZINC001301874144 1066874893 /nfs/dbraw/zinc/87/48/93/1066874893.db2.gz GDTCQVYCZMNMNQ-GGAORHGYSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCCCO2)C[C@H]1C ZINC001301874144 1066874898 /nfs/dbraw/zinc/87/48/98/1066874898.db2.gz GDTCQVYCZMNMNQ-GGAORHGYSA-N 1 1 484.645 3.263 20 0 JGADMO COCCN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001301874373 1066874979 /nfs/dbraw/zinc/87/49/79/1066874979.db2.gz HULPRYDOIHLMCL-QPPBQGQZSA-N 1 1 470.662 3.404 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cc(C)no2)CC1 ZINC001301875854 1066877541 /nfs/dbraw/zinc/87/75/41/1066877541.db2.gz BVPPFHMRMCQQJW-KRWDZBQOSA-N 1 1 460.966 3.185 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001301876456 1066877988 /nfs/dbraw/zinc/87/79/88/1066877988.db2.gz WJAWCHIZMRJCJQ-AWEZNQCLSA-N 1 1 460.570 3.451 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C2CC(C(C)(C)C)C2)C[C@@H]1C ZINC001301876617 1066878111 /nfs/dbraw/zinc/87/81/11/1066878111.db2.gz GEHYNYXPAOFNIB-CBXLAJNBSA-N 1 1 463.667 3.473 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CC(F)(F)C2)CC1 ZINC001301876354 1066878128 /nfs/dbraw/zinc/87/81/28/1066878128.db2.gz FEIQBMZUDLMEEF-MRXNPFEDSA-N 1 1 453.509 3.371 20 0 JGADMO COCCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301878207 1066880910 /nfs/dbraw/zinc/88/09/10/1066880910.db2.gz ULCFCRGXLJGVKG-GMAHTHKFSA-N 1 1 470.662 3.288 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301880217 1066885223 /nfs/dbraw/zinc/88/52/23/1066885223.db2.gz QRJCDESVLVZURF-BGYRXZFFSA-N 1 1 453.635 3.061 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001302300706 1066885373 /nfs/dbraw/zinc/88/53/73/1066885373.db2.gz RWMJOSRLLIZVEL-NRFANRHFSA-N 1 1 456.635 3.361 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCCCC2)C[C@H]1C ZINC001301881112 1066887245 /nfs/dbraw/zinc/88/72/45/1066887245.db2.gz CBIPZJTXUMHYJR-HXUWFJFHSA-N 1 1 487.645 3.205 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001301881157 1066887785 /nfs/dbraw/zinc/88/77/85/1066887785.db2.gz CGHHVEONRQVZSI-PXNSSMCTSA-N 1 1 478.435 3.027 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001301881390 1066888457 /nfs/dbraw/zinc/88/84/57/1066888457.db2.gz FNCQISKJLOPHKT-HNNXBMFYSA-N 1 1 497.497 3.343 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C)c2)CC1 ZINC001301881409 1066888476 /nfs/dbraw/zinc/88/84/76/1066888476.db2.gz FRHWCIDQJQFNJD-UHFFFAOYSA-N 1 1 459.392 3.161 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccs2)C[C@@H]1C ZINC001301882640 1066890358 /nfs/dbraw/zinc/89/03/58/1066890358.db2.gz QQWLFVQTDFHCFA-HNNXBMFYSA-N 1 1 479.448 3.497 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC2(C)C)C[C@H]1C ZINC001301882730 1066890416 /nfs/dbraw/zinc/89/04/16/1066890416.db2.gz SQIMBTYTROPQMS-CVEARBPZSA-N 1 1 465.440 3.249 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCc1csc(C)n1 ZINC001302303844 1066891463 /nfs/dbraw/zinc/89/14/63/1066891463.db2.gz NYINYKZMSHYXRF-ICSRJNTNSA-N 1 1 462.664 3.320 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCc2c[nH]nc2C)CC1 ZINC001301883434 1066891632 /nfs/dbraw/zinc/89/16/32/1066891632.db2.gz XFJKRLHTYSIQEL-UHFFFAOYSA-N 1 1 488.434 3.140 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ncccc2F)C[C@@H]1C ZINC001301883694 1066892274 /nfs/dbraw/zinc/89/22/74/1066892274.db2.gz ZXQVAXCIJUPUNE-KRWDZBQOSA-N 1 1 474.968 3.369 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001301886102 1066896091 /nfs/dbraw/zinc/89/60/91/1066896091.db2.gz RMPHSMOGSJJYNG-FGZHOGPDSA-N 1 1 470.662 3.375 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1C ZINC001301886362 1066897394 /nfs/dbraw/zinc/89/73/94/1066897394.db2.gz WHQIJBUPRGLSIO-WHSLLNHNSA-N 1 1 498.491 3.477 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301886950 1066898394 /nfs/dbraw/zinc/89/83/94/1066898394.db2.gz NFZURYBVRGMLCS-NFBKMPQASA-N 1 1 460.667 3.384 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC2(O)CCC2)CC1 ZINC001301886772 1066898457 /nfs/dbraw/zinc/89/84/57/1066898457.db2.gz AQZJSEPPIQQLNZ-UHFFFAOYSA-N 1 1 478.435 3.090 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001301887308 1066900695 /nfs/dbraw/zinc/90/06/95/1066900695.db2.gz IMXIVSVBPWCGOX-TZIWHRDSSA-N 1 1 463.026 3.213 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2cccc(C)n2)C[C@H]1C ZINC001301887786 1066901583 /nfs/dbraw/zinc/90/15/83/1066901583.db2.gz KZVNQEHFGHFNPZ-HXUWFJFHSA-N 1 1 480.613 3.065 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)C[C@@H]1C ZINC001301887985 1066902095 /nfs/dbraw/zinc/90/20/95/1066902095.db2.gz LBKNEPODVDNEGX-FNZWTVRRSA-N 1 1 471.646 3.205 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)C[C@@H]1C ZINC001301887988 1066902186 /nfs/dbraw/zinc/90/21/86/1066902186.db2.gz LBKNEPODVDNEGX-RXFWQSSRSA-N 1 1 471.646 3.205 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001301888192 1066903233 /nfs/dbraw/zinc/90/32/33/1066903233.db2.gz NVAOQCIODFZJGZ-XLIONFOSSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001301888391 1066903889 /nfs/dbraw/zinc/90/38/89/1066903889.db2.gz NRSKKGQIOCGZFW-GOSISDBHSA-N 1 1 469.586 3.263 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001301888404 1066903922 /nfs/dbraw/zinc/90/39/22/1066903922.db2.gz NYWSQMPFFBHMGZ-OAHLLOKOSA-N 1 1 462.501 3.048 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001301888488 1066904425 /nfs/dbraw/zinc/90/44/25/1066904425.db2.gz QROKDLNIAMCXNX-UHFFFAOYSA-N 1 1 499.063 3.482 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001301888528 1066904468 /nfs/dbraw/zinc/90/44/68/1066904468.db2.gz RIWVKIUNYJJCLV-SFHVURJKSA-N 1 1 465.017 3.380 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001301888424 1066904520 /nfs/dbraw/zinc/90/45/20/1066904520.db2.gz ONAGEYFVBIGFTF-INIZCTEOSA-N 1 1 460.966 3.131 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301888782 1066904970 /nfs/dbraw/zinc/90/49/70/1066904970.db2.gz PHIGIMWNLZFYPZ-NFBKMPQASA-N 1 1 491.080 3.112 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301888782 1066904973 /nfs/dbraw/zinc/90/49/73/1066904973.db2.gz PHIGIMWNLZFYPZ-NFBKMPQASA-N 1 1 491.080 3.112 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1cccc(Cl)c1 ZINC001302311919 1066905805 /nfs/dbraw/zinc/90/58/05/1066905805.db2.gz QPXJSQUJRQLRPC-UNMCSNQZSA-N 1 1 478.037 3.251 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001302311777 1066905830 /nfs/dbraw/zinc/90/58/30/1066905830.db2.gz QCSCAKPJZJTHFT-FKBYEOEOSA-N 1 1 463.667 3.375 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCCC2)CC1=O ZINC001301889125 1066906066 /nfs/dbraw/zinc/90/60/66/1066906066.db2.gz UKOIMODDQPQYNR-UHFFFAOYSA-N 1 1 475.037 3.158 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)n1C[C@@H](C)SC ZINC001302311873 1066906180 /nfs/dbraw/zinc/90/61/80/1066906180.db2.gz NCPGSISUGMJYSR-QTEQDKRBSA-N 1 1 489.686 3.393 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCO2)C[C@H]1C ZINC001301889119 1066906337 /nfs/dbraw/zinc/90/63/37/1066906337.db2.gz UHFSGRGYJUAKFK-IEBWSBKVSA-N 1 1 478.435 3.352 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@](C)(O)C(C)C)C[C@H]1C ZINC001301889813 1066909196 /nfs/dbraw/zinc/90/91/96/1066909196.db2.gz CZIKEZOFGHFCSK-CLOONOSVSA-N 1 1 452.603 3.057 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC(F)(F)F)C[C@@H]1C ZINC001301890129 1066909643 /nfs/dbraw/zinc/90/96/43/1066909643.db2.gz HQQMTEMCXWGZAV-ZDUSSCGKSA-N 1 1 462.314 3.427 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001301890921 1066910720 /nfs/dbraw/zinc/91/07/20/1066910720.db2.gz MNKHIZGORUMTKC-JOCHJYFZSA-N 1 1 470.662 3.233 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001301890993 1066910886 /nfs/dbraw/zinc/91/08/86/1066910886.db2.gz NQSDFBGWOONZRR-GMAHTHKFSA-N 1 1 457.619 3.173 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001301893058 1066914337 /nfs/dbraw/zinc/91/43/37/1066914337.db2.gz ZVTCPYMBDBOWMK-TZIWHRDSSA-N 1 1 454.644 3.466 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001301895560 1066915869 /nfs/dbraw/zinc/91/58/69/1066915869.db2.gz FBVGZIDQILPLQS-UHFFFAOYSA-N 1 1 478.519 3.041 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301896046 1066918041 /nfs/dbraw/zinc/91/80/41/1066918041.db2.gz DFWCKIYJULLVOZ-RTWAWAEBSA-N 1 1 491.080 3.112 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301896046 1066918050 /nfs/dbraw/zinc/91/80/50/1066918050.db2.gz DFWCKIYJULLVOZ-RTWAWAEBSA-N 1 1 491.080 3.112 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCCCc2nc(C)cs2)C[C@H]1C ZINC001301896321 1066919241 /nfs/dbraw/zinc/91/92/41/1066919241.db2.gz PYAFNCQRDFEUTJ-LJQANCHMSA-N 1 1 457.648 3.228 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2Cc2csc([C@@H](C)OC)n2)CC1 ZINC001301896656 1066920145 /nfs/dbraw/zinc/92/01/45/1066920145.db2.gz OAAWNZPXEWFXRG-GOSISDBHSA-N 1 1 456.616 3.234 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CSCCS2)CC1 ZINC001301897641 1066921407 /nfs/dbraw/zinc/92/14/07/1066921407.db2.gz ZYZZARMMNGYCCU-INIZCTEOSA-N 1 1 498.516 3.325 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCCOC(F)(F)F)C[C@H]1C ZINC001301897485 1066921521 /nfs/dbraw/zinc/92/15/21/1066921521.db2.gz XYISVDMFFQEDHP-MRXNPFEDSA-N 1 1 457.497 3.037 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(Br)cc2)C[C@H]1C ZINC001301897940 1066921890 /nfs/dbraw/zinc/92/18/90/1066921890.db2.gz FCDUSRZFJAQSLK-QGZVFWFLSA-N 1 1 473.419 3.435 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301898680 1066923326 /nfs/dbraw/zinc/92/33/26/1066923326.db2.gz NKMAPZOYYDCZME-SVFBPWRDSA-N 1 1 487.649 3.076 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(C)ccc2OC(F)F)C[C@@H]1C ZINC001301899246 1066923900 /nfs/dbraw/zinc/92/39/00/1066923900.db2.gz RODHLXBIGYNLLX-KRWDZBQOSA-N 1 1 460.529 3.388 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CC3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001301899393 1066924254 /nfs/dbraw/zinc/92/42/54/1066924254.db2.gz DROCRYNGUWPPTB-AWEZNQCLSA-N 1 1 454.438 3.379 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001301900755 1066925631 /nfs/dbraw/zinc/92/56/31/1066925631.db2.gz NLOQZPQFHLIEPM-UHFFFAOYSA-N 1 1 481.548 3.135 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301901777 1066926970 /nfs/dbraw/zinc/92/69/70/1066926970.db2.gz GINUAXPKHAIDBV-MZKRTTBSSA-N 1 1 482.673 3.351 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001301903033 1066928550 /nfs/dbraw/zinc/92/85/50/1066928550.db2.gz ZXESJEJGJBYAEM-OAQYLSRUSA-N 1 1 499.660 3.064 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301906726 1066931192 /nfs/dbraw/zinc/93/11/92/1066931192.db2.gz FNHWGYRVHJTITA-RTBURBONSA-N 1 1 464.655 3.206 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001301908243 1066932191 /nfs/dbraw/zinc/93/21/91/1066932191.db2.gz XOBQIIKSRFVLAO-KRWDZBQOSA-N 1 1 482.551 3.477 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 ZINC001301907836 1066932414 /nfs/dbraw/zinc/93/24/14/1066932414.db2.gz QJIHTUWCCFIRPW-UHFFFAOYSA-N 1 1 465.545 3.362 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001301908895 1066932748 /nfs/dbraw/zinc/93/27/48/1066932748.db2.gz KIOBRASDTCFSES-HKUYNNGSSA-N 1 1 467.536 3.200 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001301909452 1066932946 /nfs/dbraw/zinc/93/29/46/1066932946.db2.gz BNBKWUMLVMZTME-SFHVURJKSA-N 1 1 498.031 3.081 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001302334234 1066932979 /nfs/dbraw/zinc/93/29/79/1066932979.db2.gz CTCLYWPMTJYKEQ-BWKVVEIFSA-N 1 1 465.708 3.276 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001301908671 1066933036 /nfs/dbraw/zinc/93/30/36/1066933036.db2.gz HOZIGNJLSHASPO-UHFFFAOYSA-N 1 1 455.651 3.069 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@H]1C ZINC001301910185 1066934551 /nfs/dbraw/zinc/93/45/51/1066934551.db2.gz USSDPXMDWBOONK-CABCVRRESA-N 1 1 459.538 3.068 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@H]1C ZINC001301910189 1066934665 /nfs/dbraw/zinc/93/46/65/1066934665.db2.gz USSDPXMDWBOONK-HUUCEWRRSA-N 1 1 459.538 3.068 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(C)sc(C)c2Br)CC1 ZINC001301910729 1066935244 /nfs/dbraw/zinc/93/52/44/1066935244.db2.gz WESDMIRIYYQTIF-INIZCTEOSA-N 1 1 484.464 3.040 20 0 JGADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001302336084 1066935880 /nfs/dbraw/zinc/93/58/80/1066935880.db2.gz GPECJDLVNJAJOZ-SFHVURJKSA-N 1 1 455.607 3.318 20 0 JGADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302336712 1066936356 /nfs/dbraw/zinc/93/63/56/1066936356.db2.gz QWJDNWQMAHYOBQ-HXUWFJFHSA-N 1 1 484.645 3.407 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2CC(C)(C)c2ccc3c(c2)OCO3)C[C@H]1C ZINC001301910938 1066936409 /nfs/dbraw/zinc/93/64/09/1066936409.db2.gz KWDAMEHWGMXCRO-LJQANCHMSA-N 1 1 457.619 3.340 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(C(=O)N3CCCCC3)cc2)C[C@@H]1C ZINC001301910931 1066936443 /nfs/dbraw/zinc/93/64/43/1066936443.db2.gz KUALTWOGMOQEOI-QFIPXVFZSA-N 1 1 482.673 3.308 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Br)cs2)CC1 ZINC001301911130 1066936994 /nfs/dbraw/zinc/93/69/94/1066936994.db2.gz GQXRPJSAOQBBSC-KRWDZBQOSA-N 1 1 470.437 3.160 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001301911606 1066937206 /nfs/dbraw/zinc/93/72/06/1066937206.db2.gz IBNKJQCHMIFKKL-GOSISDBHSA-N 1 1 462.664 3.285 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)cc2C(F)(F)F)C[C@H]1C ZINC001301911628 1066937300 /nfs/dbraw/zinc/93/73/00/1066937300.db2.gz IJULDVOEIDVONN-MJGOQNOKSA-N 1 1 497.562 3.405 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301911877 1066937973 /nfs/dbraw/zinc/93/79/73/1066937973.db2.gz NMWJLZMRSBZFRO-VQTJNVASSA-N 1 1 478.682 3.423 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 ZINC001301912483 1066939607 /nfs/dbraw/zinc/93/96/07/1066939607.db2.gz RSOSCGPXKDCWQI-PMACEKPBSA-N 1 1 478.682 3.309 20 0 JGADMO CC(C)(Cn1c(CC2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302343012 1066941364 /nfs/dbraw/zinc/94/13/64/1066941364.db2.gz YVSXZEPOIZRGGL-UHFFFAOYSA-N 1 1 472.600 3.196 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301913296 1066941802 /nfs/dbraw/zinc/94/18/02/1066941802.db2.gz MUDUQELNUXKNBQ-HKBOAZHASA-N 1 1 494.681 3.180 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301913582 1066941851 /nfs/dbraw/zinc/94/18/51/1066941851.db2.gz VHMUCAVNWZPYCJ-NHCUHLMSSA-N 1 1 475.081 3.411 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001301913945 1066943293 /nfs/dbraw/zinc/94/32/93/1066943293.db2.gz NSSGMOBLIZUPSR-ODAXIHTASA-N 1 1 476.710 3.433 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2cccc(C)c2)C[C@H]1C ZINC001301914419 1066943983 /nfs/dbraw/zinc/94/39/83/1066943983.db2.gz POMQBMCNSHEMJC-GIWBLDEGSA-N 1 1 457.619 3.453 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001301914557 1066944046 /nfs/dbraw/zinc/94/40/46/1066944046.db2.gz RBRQBKFIEHURBF-NYVOZVTQSA-N 1 1 492.615 3.258 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N(C)c2ccccc2)C[C@H]1C ZINC001301916103 1066945711 /nfs/dbraw/zinc/94/57/11/1066945711.db2.gz VDWIVSBYMGJRNN-XPNTWCBSSA-N 1 1 456.635 3.202 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC(C)C)nc2)C[C@H]1C ZINC001301917797 1066947838 /nfs/dbraw/zinc/94/78/38/1066947838.db2.gz BADDDYZEFVHOJR-GOSISDBHSA-N 1 1 485.658 3.021 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(Cl)s2)C[C@@H]1C ZINC001301918057 1066947854 /nfs/dbraw/zinc/94/78/54/1066947854.db2.gz FZWUDPWSXYPJCQ-KRWDZBQOSA-N 1 1 461.035 3.378 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001301918767 1066948954 /nfs/dbraw/zinc/94/89/54/1066948954.db2.gz COFAREMSNADGSV-URXFXBBRSA-N 1 1 459.610 3.228 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2c(F)cccc2SC)C[C@H]1C ZINC001301919306 1066951057 /nfs/dbraw/zinc/95/10/57/1066951057.db2.gz QBIVBLQBPFZHSR-GOSISDBHSA-N 1 1 470.618 3.330 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301919217 1066951084 /nfs/dbraw/zinc/95/10/84/1066951084.db2.gz GOYLYMWQNJXKEV-JOCHJYFZSA-N 1 1 472.653 3.144 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCOc2cccc(Cl)c2)C[C@H]1C ZINC001301919043 1066951116 /nfs/dbraw/zinc/95/11/16/1066951116.db2.gz OMWDRUUYBPBNQS-LJQANCHMSA-N 1 1 471.005 3.153 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2nc(C)c(C)s2)CC1 ZINC001301919768 1066952360 /nfs/dbraw/zinc/95/23/60/1066952360.db2.gz KQAVVTSJOHQJSL-UHFFFAOYSA-N 1 1 458.607 3.092 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccccc2C)C[C@@H]1C ZINC001301920509 1066953616 /nfs/dbraw/zinc/95/36/16/1066953616.db2.gz YRDHSLYLABLXFH-IBGZPJMESA-N 1 1 454.644 3.342 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2Br)C[C@@H]1C ZINC001301921138 1066954808 /nfs/dbraw/zinc/95/48/08/1066954808.db2.gz QRRHTIJJFLQBIL-SFHVURJKSA-N 1 1 485.430 3.232 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2CC(F)(F)C2)C[C@H]1C ZINC001301921512 1066955228 /nfs/dbraw/zinc/95/52/28/1066955228.db2.gz HXNFOGKSYKTMLG-GOSISDBHSA-N 1 1 463.573 3.274 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)c2cccs2)C[C@H]1C ZINC001301921304 1066955412 /nfs/dbraw/zinc/95/54/12/1066955412.db2.gz SOEFRLCEUOJGHM-KOSHJBKYSA-N 1 1 473.618 3.134 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302366762 1066955830 /nfs/dbraw/zinc/95/58/30/1066955830.db2.gz SAYMCTIMWMKQCN-QIJUGHKUSA-N 1 1 461.582 3.139 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001301922743 1066956653 /nfs/dbraw/zinc/95/66/53/1066956653.db2.gz YRHULVZZABYKGV-KRWDZBQOSA-N 1 1 458.607 3.345 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302367638 1066956825 /nfs/dbraw/zinc/95/68/25/1066956825.db2.gz SETNNPDTNREVRX-MSOLQXFVSA-N 1 1 451.974 3.320 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302367708 1066956902 /nfs/dbraw/zinc/95/69/02/1066956902.db2.gz UXIZZODERMLBCJ-OWCLPIDISA-N 1 1 484.464 3.494 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001301926828 1066960110 /nfs/dbraw/zinc/96/01/10/1066960110.db2.gz NCHRVTUARRQRPI-QHCPKHFHSA-N 1 1 498.672 3.231 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001301926827 1066960178 /nfs/dbraw/zinc/96/01/78/1066960178.db2.gz NCHRVTUARRQRPI-HSZRJFAPSA-N 1 1 498.672 3.231 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C)s2)C[C@@H]1C ZINC001301926425 1066960219 /nfs/dbraw/zinc/96/02/19/1066960219.db2.gz FKUGRYMCXKDPSL-IBGZPJMESA-N 1 1 455.628 3.475 20 0 JGADMO CC(C)=CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001302373995 1066960548 /nfs/dbraw/zinc/96/05/48/1066960548.db2.gz QLDRWBFCGGXWBD-UGKGYDQZSA-N 1 1 487.048 3.375 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)c2nccs2)C[C@@H]1C ZINC001301926897 1066960979 /nfs/dbraw/zinc/96/09/79/1066960979.db2.gz PDJQOECAFGPMTP-UXHICEINSA-N 1 1 454.644 3.480 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001301927239 1066961484 /nfs/dbraw/zinc/96/14/84/1066961484.db2.gz ABQDKILTOSUADE-HXUWFJFHSA-N 1 1 481.645 3.029 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC001301927531 1066962458 /nfs/dbraw/zinc/96/24/58/1066962458.db2.gz IQPRBKOIBKQSOS-YPAWHYETSA-N 1 1 457.619 3.138 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301927575 1066963330 /nfs/dbraw/zinc/96/33/30/1066963330.db2.gz JRMDIYGHJIPHQE-XZOQPEGZSA-N 1 1 470.662 3.054 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301927575 1066963339 /nfs/dbraw/zinc/96/33/39/1066963339.db2.gz JRMDIYGHJIPHQE-XZOQPEGZSA-N 1 1 470.662 3.054 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2OCCC2(C)C)C[C@H]1C ZINC001301927819 1066964129 /nfs/dbraw/zinc/96/41/29/1066964129.db2.gz OKKNGMNLVTZZAV-FYYLOGMGSA-N 1 1 471.646 3.446 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001301927984 1066965061 /nfs/dbraw/zinc/96/50/61/1066965061.db2.gz QOOBYSPMWILYMQ-QFIPXVFZSA-N 1 1 498.672 3.080 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301928903 1066965728 /nfs/dbraw/zinc/96/57/28/1066965728.db2.gz YDJKPHBRWWMKRX-ISKFKSNPSA-N 1 1 484.689 3.443 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301928903 1066965741 /nfs/dbraw/zinc/96/57/41/1066965741.db2.gz YDJKPHBRWWMKRX-ISKFKSNPSA-N 1 1 484.689 3.443 20 0 JGADMO CC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301929128 1066966886 /nfs/dbraw/zinc/96/68/86/1066966886.db2.gz CYQAPPKGCCGPDV-REWPJTCUSA-N 1 1 460.667 3.179 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001302384731 1066968049 /nfs/dbraw/zinc/96/80/49/1066968049.db2.gz YOTPTYZFMZCHQZ-BHIFYINESA-N 1 1 484.645 3.406 20 0 JGADMO CC(C)=CCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001302385580 1066968328 /nfs/dbraw/zinc/96/83/28/1066968328.db2.gz KLYMYMNOOTUKJZ-QHCPKHFHSA-N 1 1 450.631 3.276 20 0 JGADMO CC(C)=CCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001302385579 1066968370 /nfs/dbraw/zinc/96/83/70/1066968370.db2.gz KLYMYMNOOTUKJZ-HSZRJFAPSA-N 1 1 450.631 3.276 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2C[C@H](F)C2)C[C@H]1C ZINC001301932276 1066970746 /nfs/dbraw/zinc/97/07/46/1066970746.db2.gz XFFFUPTWFAJVSJ-PFAUGDHASA-N 1 1 451.631 3.492 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@@H]1C ZINC001301932674 1066971084 /nfs/dbraw/zinc/97/10/84/1066971084.db2.gz ICECYAUSXDGZPH-SKPFHBQLSA-N 1 1 475.609 3.214 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001301932687 1066971278 /nfs/dbraw/zinc/97/12/78/1066971278.db2.gz ILKLUPOLJMYCII-FYYLOGMGSA-N 1 1 486.661 3.196 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302392675 1066971960 /nfs/dbraw/zinc/97/19/60/1066971960.db2.gz RDRPTFQKKACZKH-MSOLQXFVSA-N 1 1 451.974 3.200 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001301933082 1066972133 /nfs/dbraw/zinc/97/21/33/1066972133.db2.gz KVNOSSOQZLJENP-UHFFFAOYSA-N 1 1 472.565 3.098 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)CC1 ZINC001301933497 1066972895 /nfs/dbraw/zinc/97/28/95/1066972895.db2.gz ODJOETYFTNTNOU-IBGZPJMESA-N 1 1 452.024 3.175 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001301934033 1066974422 /nfs/dbraw/zinc/97/44/22/1066974422.db2.gz UDGPATJQGHUDFI-IBGZPJMESA-N 1 1 469.659 3.126 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001302397521 1066976805 /nfs/dbraw/zinc/97/68/05/1066976805.db2.gz BCNVCVAIPDLFML-JOCHJYFZSA-N 1 1 460.667 3.479 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001301936041 1066977630 /nfs/dbraw/zinc/97/76/30/1066977630.db2.gz CWLBYWCMCDGFPB-FDFHNCONSA-N 1 1 468.646 3.105 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001301936042 1066977681 /nfs/dbraw/zinc/97/76/81/1066977681.db2.gz CWLBYWCMCDGFPB-YPAWHYETSA-N 1 1 468.646 3.105 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001302398213 1066977906 /nfs/dbraw/zinc/97/79/06/1066977906.db2.gz KSANOGJLLDYGIT-UHFFFAOYSA-N 1 1 475.641 3.091 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001302398683 1066978413 /nfs/dbraw/zinc/97/84/13/1066978413.db2.gz SKZABTJJSFQPNZ-JTHBVZDNSA-N 1 1 468.646 3.345 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302404576 1066985975 /nfs/dbraw/zinc/98/59/75/1066985975.db2.gz SZYATRSOTHEAAA-QFIPXVFZSA-N 1 1 470.637 3.433 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302409708 1066993188 /nfs/dbraw/zinc/99/31/88/1066993188.db2.gz OOHICJNBNKDOFJ-OAQYLSRUSA-N 1 1 489.064 3.450 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001302417861 1067001184 /nfs/dbraw/zinc/00/11/84/1067001184.db2.gz DOLVGXURVTZBRW-BDTNDASRSA-N 1 1 457.619 3.136 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1OC ZINC001302418297 1067001910 /nfs/dbraw/zinc/00/19/10/1067001910.db2.gz FTGTUBVXPVNFQG-YSZBQJHXSA-N 1 1 457.619 3.056 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC001302420748 1067005619 /nfs/dbraw/zinc/00/56/19/1067005619.db2.gz QMCZXAPIKUSSCN-DEOSSOPVSA-N 1 1 496.700 3.322 20 0 JGADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303958762 1067013485 /nfs/dbraw/zinc/01/34/85/1067013485.db2.gz HLLUEQMDIRVDRX-WOJBJXKFSA-N 1 1 460.667 3.035 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001303958766 1067013552 /nfs/dbraw/zinc/01/35/52/1067013552.db2.gz HTJAJVDRMCORTC-AWEZNQCLSA-N 1 1 481.464 3.203 20 0 JGADMO CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001302428251 1067014095 /nfs/dbraw/zinc/01/40/95/1067014095.db2.gz NQXVKYYOKPSIQT-HXUWFJFHSA-N 1 1 464.035 3.264 20 0 JGADMO CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302428251 1067014101 /nfs/dbraw/zinc/01/41/01/1067014101.db2.gz NQXVKYYOKPSIQT-HXUWFJFHSA-N 1 1 464.035 3.264 20 0 JGADMO CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCCNc2cccc(C)[nH+]2)cc1 ZINC001303960226 1067014666 /nfs/dbraw/zinc/01/46/66/1067014666.db2.gz RHPIOXJBJIMBBB-UHFFFAOYSA-N 1 1 456.593 3.291 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001303960088 1067014691 /nfs/dbraw/zinc/01/46/91/1067014691.db2.gz QVBHUHORQDLGPI-SFHVURJKSA-N 1 1 474.600 3.361 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303960090 1067014831 /nfs/dbraw/zinc/01/48/31/1067014831.db2.gz QVDIMINFBSUAHS-UXHICEINSA-N 1 1 476.666 3.398 20 0 JGADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303962297 1067015945 /nfs/dbraw/zinc/01/59/45/1067015945.db2.gz HFKGTQSZGQYZCF-VQTJNVASSA-N 1 1 460.667 3.383 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303962529 1067016506 /nfs/dbraw/zinc/01/65/06/1067016506.db2.gz JFDALQYKRONKSL-UHFFFAOYSA-N 1 1 495.716 3.136 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCS(=O)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303962310 1067016665 /nfs/dbraw/zinc/01/66/65/1067016665.db2.gz HVPLAWXQZRFCCJ-IBGZPJMESA-N 1 1 494.706 3.041 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001302432848 1067022870 /nfs/dbraw/zinc/02/28/70/1067022870.db2.gz FQRPQSYMLMKDDL-BJKOFHAPSA-N 1 1 481.689 3.373 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001302433274 1067023868 /nfs/dbraw/zinc/02/38/68/1067023868.db2.gz JHSCNEMHVWUVIS-RJGXRXQPSA-N 1 1 474.694 3.425 20 0 JGADMO CC1(C)CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC(C)(C)O1 ZINC001303978987 1067026281 /nfs/dbraw/zinc/02/62/81/1067026281.db2.gz YIVAFFISEGLQFI-HXUWFJFHSA-N 1 1 475.609 3.237 20 0 JGADMO CC1(C)C[N@H+](CCn2c(-c3cnccn3)nnc2N(CCC(F)(F)F)CC2CC2)CCO1 ZINC001303979578 1067027164 /nfs/dbraw/zinc/02/71/64/1067027164.db2.gz KQUHUZBLJIYZEW-UHFFFAOYSA-N 1 1 453.513 3.015 20 0 JGADMO CC1(C)C[N@@H+](CCn2c(-c3cnccn3)nnc2N(CCC(F)(F)F)CC2CC2)CCO1 ZINC001303979578 1067027178 /nfs/dbraw/zinc/02/71/78/1067027178.db2.gz KQUHUZBLJIYZEW-UHFFFAOYSA-N 1 1 453.513 3.015 20 0 JGADMO CC1(C)COCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001303982394 1067030859 /nfs/dbraw/zinc/03/08/59/1067030859.db2.gz YGPYQDHWAQHWHF-SFHVURJKSA-N 1 1 452.525 3.153 20 0 JGADMO CC1(C)COCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001303982394 1067030877 /nfs/dbraw/zinc/03/08/77/1067030877.db2.gz YGPYQDHWAQHWHF-SFHVURJKSA-N 1 1 452.525 3.153 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@]1(C)CCCS1 ZINC001303997236 1067039056 /nfs/dbraw/zinc/03/90/56/1067039056.db2.gz KHOHHGQYPYDTSY-CPJSRVTESA-N 1 1 473.687 3.423 20 0 JGADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOCC(F)F)C1 ZINC001303998288 1067040514 /nfs/dbraw/zinc/04/05/14/1067040514.db2.gz QCQLANHWUFZGEN-HSZRJFAPSA-N 1 1 485.526 3.120 20 0 JGADMO CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001304000869 1067044534 /nfs/dbraw/zinc/04/45/34/1067044534.db2.gz DIGHBQFOUWBRAJ-HXUWFJFHSA-N 1 1 450.356 3.030 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001304000797 1067044605 /nfs/dbraw/zinc/04/46/05/1067044605.db2.gz AKALHUIDLKXEOZ-KRWDZBQOSA-N 1 1 461.408 3.248 20 0 JGADMO CC(C)C(=O)NCCCn1c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001302450672 1067051176 /nfs/dbraw/zinc/05/11/76/1067051176.db2.gz CJCJNSMKZJXHSG-BGYRXZFFSA-N 1 1 462.683 3.064 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOC(C)(C)C2)c1C ZINC001304009866 1067052063 /nfs/dbraw/zinc/05/20/63/1067052063.db2.gz GRNSMZONIJOKSL-UHFFFAOYSA-N 1 1 479.629 3.086 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC[N@H+]2CCOC(C)(C)C2)c1C ZINC001304009866 1067052080 /nfs/dbraw/zinc/05/20/80/1067052080.db2.gz GRNSMZONIJOKSL-UHFFFAOYSA-N 1 1 479.629 3.086 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001304011287 1067054084 /nfs/dbraw/zinc/05/40/84/1067054084.db2.gz RCEOHKJFTSTNMM-UHFFFAOYSA-N 1 1 456.635 3.378 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1C ZINC001304011476 1067054539 /nfs/dbraw/zinc/05/45/39/1067054539.db2.gz SSBRDYAIDMZUPU-CTNGQTDRSA-N 1 1 495.672 3.326 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302452633 1067054456 /nfs/dbraw/zinc/05/44/56/1067054456.db2.gz XATINVXHSVMPRZ-SFHVURJKSA-N 1 1 492.466 3.261 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001304012522 1067056070 /nfs/dbraw/zinc/05/60/70/1067056070.db2.gz FRXSDRKJHAWYMH-FPOVZHCZSA-N 1 1 454.619 3.348 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304013564 1067056882 /nfs/dbraw/zinc/05/68/82/1067056882.db2.gz LPTFPJYREUEGAM-DHIUTWEWSA-N 1 1 484.645 3.178 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001304017591 1067061060 /nfs/dbraw/zinc/06/10/60/1067061060.db2.gz AQWUWBKLVZTQCH-RZUBCFFCSA-N 1 1 457.619 3.371 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(N)=O)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001304020385 1067064303 /nfs/dbraw/zinc/06/43/03/1067064303.db2.gz NMSYHJWCUNINPC-NQIIRXRSSA-N 1 1 468.646 3.469 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302462059 1067065527 /nfs/dbraw/zinc/06/55/27/1067065527.db2.gz YYKSSDUYXFXZGQ-FCHUYYIVSA-N 1 1 454.619 3.003 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304021207 1067065555 /nfs/dbraw/zinc/06/55/55/1067065555.db2.gz RGZHXYOFLRBYCB-UMTXDNHDSA-N 1 1 498.672 3.093 20 0 JGADMO CC(C)C(=O)NCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001302462651 1067066804 /nfs/dbraw/zinc/06/68/04/1067066804.db2.gz MSJSSTSRXBFBLP-QGZVFWFLSA-N 1 1 493.425 3.293 20 0 JGADMO CS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001302465607 1067069411 /nfs/dbraw/zinc/06/94/11/1067069411.db2.gz XLMHZBWPSOQZPP-UHFFFAOYSA-N 1 1 466.051 3.022 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001304029190 1067077046 /nfs/dbraw/zinc/07/70/46/1067077046.db2.gz KGFSFCDJWBLJEX-FPOVZHCZSA-N 1 1 454.619 3.236 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCN4CCCC[C@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030156 1067078257 /nfs/dbraw/zinc/07/82/57/1067078257.db2.gz NLFXJBRDTSSMTA-PKTZIBPZSA-N 1 1 470.662 3.288 20 0 JGADMO CC(C)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001302478925 1067079651 /nfs/dbraw/zinc/07/96/51/1067079651.db2.gz NMPYADCXKCWIGS-VWLOTQADSA-N 1 1 489.686 3.332 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001304031934 1067080658 /nfs/dbraw/zinc/08/06/58/1067080658.db2.gz YKBVJYAODRQVGC-YADHBBJMSA-N 1 1 483.661 3.321 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001304032141 1067081307 /nfs/dbraw/zinc/08/13/07/1067081307.db2.gz ZZIHMNUEJVDJSZ-DENIHFKCSA-N 1 1 468.646 3.483 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1C ZINC001304032147 1067081480 /nfs/dbraw/zinc/08/14/80/1067081480.db2.gz ZZIHMNUEJVDJSZ-UGKGYDQZSA-N 1 1 468.646 3.483 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302489858 1067090588 /nfs/dbraw/zinc/09/05/88/1067090588.db2.gz WLROHBBQKLVRAT-JPYJTQIMSA-N 1 1 492.462 3.273 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302489855 1067090652 /nfs/dbraw/zinc/09/06/52/1067090652.db2.gz WLROHBBQKLVRAT-FDDCHVKYSA-N 1 1 492.462 3.273 20 0 JGADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)N(C)C ZINC001304057411 1067098060 /nfs/dbraw/zinc/09/80/60/1067098060.db2.gz PURQETWBOMLRES-HDICACEKSA-N 1 1 497.669 3.011 20 0 JGADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)N(C)C ZINC001304057411 1067098072 /nfs/dbraw/zinc/09/80/72/1067098072.db2.gz PURQETWBOMLRES-HDICACEKSA-N 1 1 497.669 3.011 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302502047 1067099705 /nfs/dbraw/zinc/09/97/05/1067099705.db2.gz BCUKIEVTTDMRKL-HTAPYJJXSA-N 1 1 484.428 3.092 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302502047 1067099719 /nfs/dbraw/zinc/09/97/19/1067099719.db2.gz BCUKIEVTTDMRKL-HTAPYJJXSA-N 1 1 484.428 3.092 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302502049 1067099770 /nfs/dbraw/zinc/09/97/70/1067099770.db2.gz BCUKIEVTTDMRKL-VGOFRKELSA-N 1 1 484.428 3.092 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302502049 1067099784 /nfs/dbraw/zinc/09/97/84/1067099784.db2.gz BCUKIEVTTDMRKL-VGOFRKELSA-N 1 1 484.428 3.092 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001302502932 1067102375 /nfs/dbraw/zinc/10/23/75/1067102375.db2.gz GYISVLHKZQMKIV-MOPGFXCFSA-N 1 1 453.635 3.200 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302503217 1067102828 /nfs/dbraw/zinc/10/28/28/1067102828.db2.gz IQFAFWOGXDEHSP-NRFANRHFSA-N 1 1 482.673 3.433 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302503217 1067102836 /nfs/dbraw/zinc/10/28/36/1067102836.db2.gz IQFAFWOGXDEHSP-NRFANRHFSA-N 1 1 482.673 3.433 20 0 JGADMO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CC[N@H+]3C3CCOCC3)cc2)c1 ZINC001304060741 1067104297 /nfs/dbraw/zinc/10/42/97/1067104297.db2.gz RLRNILKOMASASH-JOCHJYFZSA-N 1 1 457.596 3.087 20 0 JGADMO Cc1n[nH]cc1CCCn1c(Cc2ccccc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304064808 1067109329 /nfs/dbraw/zinc/10/93/29/1067109329.db2.gz YHGWGLPLLHKBNB-UHFFFAOYSA-N 1 1 469.609 3.219 20 0 JGADMO Cc1n[nH]cc1CCCn1c(Cc2ccccc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304064808 1067109332 /nfs/dbraw/zinc/10/93/32/1067109332.db2.gz YHGWGLPLLHKBNB-UHFFFAOYSA-N 1 1 469.609 3.219 20 0 JGADMO Cc1ccsc1CCn1c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001304074670 1067118647 /nfs/dbraw/zinc/11/86/47/1067118647.db2.gz OKRJIFGFDSUJSV-UHFFFAOYSA-N 1 1 458.676 3.323 20 0 JGADMO Cc1ccsc1CCn1c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001304074670 1067118650 /nfs/dbraw/zinc/11/86/50/1067118650.db2.gz OKRJIFGFDSUJSV-UHFFFAOYSA-N 1 1 458.676 3.323 20 0 JGADMO C[S@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001302511425 1067121867 /nfs/dbraw/zinc/12/18/67/1067121867.db2.gz SJMCTXHHWRMIDK-NBLPZQPVSA-N 1 1 473.687 3.095 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302511499 1067122369 /nfs/dbraw/zinc/12/23/69/1067122369.db2.gz UBOCQNBOFZKAFN-OAQYLSRUSA-N 1 1 474.694 3.110 20 0 JGADMO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302514791 1067132251 /nfs/dbraw/zinc/13/22/51/1067132251.db2.gz GEKOIFCXQHVJSA-NRSPTQNISA-N 1 1 476.666 3.252 20 0 JGADMO Cc1c(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC001304092015 1067135157 /nfs/dbraw/zinc/13/51/57/1067135157.db2.gz OPWICWYFKXCYBX-LJQANCHMSA-N 1 1 450.635 3.453 20 0 JGADMO Cc1c(CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cnn1C ZINC001304091897 1067135199 /nfs/dbraw/zinc/13/51/99/1067135199.db2.gz LPYVJBZBPRLTQA-UHFFFAOYSA-N 1 1 462.577 3.213 20 0 JGADMO CSC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001302517853 1067137523 /nfs/dbraw/zinc/13/75/23/1067137523.db2.gz ANNQSGKNCWUEQP-BGYRXZFFSA-N 1 1 457.692 3.477 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCOc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC001302523075 1067143405 /nfs/dbraw/zinc/14/34/05/1067143405.db2.gz HXNLYYHAVHCODK-KNQAVFIVSA-N 1 1 478.037 3.307 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)N1CCOCC1 ZINC001302523377 1067143944 /nfs/dbraw/zinc/14/39/44/1067143944.db2.gz JENADBRDTQCUTM-DNQXCXABSA-N 1 1 476.710 3.086 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[NH+]1CCOCC1 ZINC001302523370 1067143979 /nfs/dbraw/zinc/14/39/79/1067143979.db2.gz JCKURAAPUTYYGJ-PRLBNAKWSA-N 1 1 489.686 3.250 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302524096 1067145907 /nfs/dbraw/zinc/14/59/07/1067145907.db2.gz BTORKCAQPMGLCV-HXUWFJFHSA-N 1 1 499.553 3.258 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302524299 1067146083 /nfs/dbraw/zinc/14/60/83/1067146083.db2.gz FHPPOKHUKGXLSI-VQTJNVASSA-N 1 1 490.674 3.001 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302524299 1067146091 /nfs/dbraw/zinc/14/60/91/1067146091.db2.gz FHPPOKHUKGXLSI-VQTJNVASSA-N 1 1 490.674 3.001 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001302524562 1067146511 /nfs/dbraw/zinc/14/65/11/1067146511.db2.gz GCPCRFBUIQUZKG-JOCHJYFZSA-N 1 1 462.038 3.088 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001302524565 1067146636 /nfs/dbraw/zinc/14/66/36/1067146636.db2.gz GCPCRFBUIQUZKG-QFIPXVFZSA-N 1 1 462.038 3.088 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302525970 1067150004 /nfs/dbraw/zinc/15/00/04/1067150004.db2.gz UANGTSQBUULRJG-HKBOAZHASA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCOCC1 ZINC001302527795 1067154762 /nfs/dbraw/zinc/15/47/62/1067154762.db2.gz ZHHWRQMWEMMRSG-IFMALSPDSA-N 1 1 475.609 3.183 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCOCC1 ZINC001302528215 1067156153 /nfs/dbraw/zinc/15/61/53/1067156153.db2.gz HLJOUQDAEKAGBG-CTNGQTDRSA-N 1 1 486.627 3.440 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCOCC1 ZINC001302528218 1067156199 /nfs/dbraw/zinc/15/61/99/1067156199.db2.gz HLJOUQDAEKAGBG-TZIWHRDSSA-N 1 1 486.627 3.440 20 0 JGADMO CC(C)[C@H](Cn1c(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001302528875 1067157194 /nfs/dbraw/zinc/15/71/94/1067157194.db2.gz NNVGPBMPVVRKNY-UFYCRDLUSA-N 1 1 478.682 3.282 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC001302531350 1067160338 /nfs/dbraw/zinc/16/03/38/1067160338.db2.gz IEGOECIKESNVNL-GUDVDZBRSA-N 1 1 455.594 3.399 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302531640 1067160620 /nfs/dbraw/zinc/16/06/20/1067160620.db2.gz MYKAABCCIMWONF-GUDVDZBRSA-N 1 1 475.556 3.034 20 0 JGADMO CSC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001302531467 1067160692 /nfs/dbraw/zinc/16/06/92/1067160692.db2.gz QICFBDFELDYMNN-HXUWFJFHSA-N 1 1 491.105 3.407 20 0 JGADMO Cc1c(Cl)cccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304128177 1067166315 /nfs/dbraw/zinc/16/63/15/1067166315.db2.gz KSQHHBGFCDYXHB-UHFFFAOYSA-N 1 1 475.037 3.071 20 0 JGADMO Cc1c(Cl)cccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304128177 1067166320 /nfs/dbraw/zinc/16/63/20/1067166320.db2.gz KSQHHBGFCDYXHB-UHFFFAOYSA-N 1 1 475.037 3.071 20 0 JGADMO Cc1c(Cl)cccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001304131044 1067169088 /nfs/dbraw/zinc/16/90/88/1067169088.db2.gz UWRVATDUJRSXJF-SFHVURJKSA-N 1 1 497.109 3.455 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001304132246 1067170392 /nfs/dbraw/zinc/17/03/92/1067170392.db2.gz AQPVTAUHHITULW-UHFFFAOYSA-N 1 1 479.629 3.086 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001304132246 1067170394 /nfs/dbraw/zinc/17/03/94/1067170394.db2.gz AQPVTAUHHITULW-UHFFFAOYSA-N 1 1 479.629 3.086 20 0 JGADMO CC(C)c1csc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001302542430 1067174135 /nfs/dbraw/zinc/17/41/35/1067174135.db2.gz UGEVZCVWSLUHNZ-GOSISDBHSA-N 1 1 459.664 3.414 20 0 JGADMO COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001304136444 1067174942 /nfs/dbraw/zinc/17/49/42/1067174942.db2.gz ZSLXKUWYRDBIMA-DFBJGRDBSA-N 1 1 452.530 3.136 20 0 JGADMO CC(C)c1nc([C@H]2CCCN(c3nnc(-c4cnccn4)n3CCC[N@H+](C)C(C)C)C2)no1 ZINC001302545554 1067179415 /nfs/dbraw/zinc/17/94/15/1067179415.db2.gz OLLSPBCKGHHXHW-SFHVURJKSA-N 1 1 453.595 3.356 20 0 JGADMO CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302547213 1067182313 /nfs/dbraw/zinc/18/23/13/1067182313.db2.gz GYONVUGWDMWACH-AWEZNQCLSA-N 1 1 471.469 3.334 20 0 JGADMO CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302547213 1067182319 /nfs/dbraw/zinc/18/23/19/1067182319.db2.gz GYONVUGWDMWACH-AWEZNQCLSA-N 1 1 471.469 3.334 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)no1 ZINC001304145423 1067188458 /nfs/dbraw/zinc/18/84/58/1067188458.db2.gz CKVSXDDWSYPULR-HXUWFJFHSA-N 1 1 457.623 3.217 20 0 JGADMO Cc1cc(C(=O)N2CCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)c(C)o1 ZINC001304145951 1067188827 /nfs/dbraw/zinc/18/88/27/1067188827.db2.gz LMPIBORKBUVMOS-QFIPXVFZSA-N 1 1 486.661 3.006 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)CC2)c(C)o1 ZINC001304146458 1067189998 /nfs/dbraw/zinc/18/99/98/1067189998.db2.gz GLJUMTVBSFQPIF-UHFFFAOYSA-N 1 1 479.629 3.213 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCCC(C)(C)C3)CC2)no1 ZINC001304147026 1067191960 /nfs/dbraw/zinc/19/19/60/1067191960.db2.gz WCKUZVLHVTVVJE-UHFFFAOYSA-N 1 1 471.650 3.393 20 0 JGADMO CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302557352 1067196381 /nfs/dbraw/zinc/19/63/81/1067196381.db2.gz FOTXASRETKFKRX-IXDOHACOSA-N 1 1 453.603 3.444 20 0 JGADMO CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302557352 1067196384 /nfs/dbraw/zinc/19/63/84/1067196384.db2.gz FOTXASRETKFKRX-IXDOHACOSA-N 1 1 453.603 3.444 20 0 JGADMO CS[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001302557593 1067196930 /nfs/dbraw/zinc/19/69/30/1067196930.db2.gz HLPODBFGJBASOB-HLAWJBBLSA-N 1 1 477.700 3.033 20 0 JGADMO CS[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001302557593 1067196933 /nfs/dbraw/zinc/19/69/33/1067196933.db2.gz HLPODBFGJBASOB-HLAWJBBLSA-N 1 1 477.700 3.033 20 0 JGADMO Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304153378 1067201019 /nfs/dbraw/zinc/20/10/19/1067201019.db2.gz XNSBHBZUWLBGFR-VWLOTQADSA-N 1 1 461.651 3.389 20 0 JGADMO CC(C)c1nnc([C@H]2CN(c3nnc(Cc4ccccc4F)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001302561761 1067201628 /nfs/dbraw/zinc/20/16/28/1067201628.db2.gz IOFOLCGQOASUJJ-HXUWFJFHSA-N 1 1 471.581 3.433 20 0 JGADMO Cc1cc([C@](C)(O)Cn2c([C@H]3CCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304154637 1067202428 /nfs/dbraw/zinc/20/24/28/1067202428.db2.gz GCZUEZOZNHCVCZ-PXDATVDWSA-N 1 1 475.634 3.042 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302566456 1067205897 /nfs/dbraw/zinc/20/58/97/1067205897.db2.gz ASSJUIRXDGHXOM-FXAWDEMLSA-N 1 1 454.388 3.378 20 0 JGADMO CS[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001302566861 1067206244 /nfs/dbraw/zinc/20/62/44/1067206244.db2.gz PLVHLJWCTFBPLT-INIZCTEOSA-N 1 1 476.697 3.405 20 0 JGADMO Cc1cc(C)c(Cn2c(-c3cnn(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)c1 ZINC001304160541 1067207834 /nfs/dbraw/zinc/20/78/34/1067207834.db2.gz MCZYEAHUNKQANF-UHFFFAOYSA-N 1 1 465.646 3.447 20 0 JGADMO CC(C)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302570685 1067209705 /nfs/dbraw/zinc/20/97/05/1067209705.db2.gz MHTBWIJXVWJSCV-DEOSSOPVSA-N 1 1 482.673 3.499 20 0 JGADMO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302570943 1067210691 /nfs/dbraw/zinc/21/06/91/1067210691.db2.gz DHDIAYUZDNCBFG-FCHUYYIVSA-N 1 1 490.718 3.330 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302573415 1067212589 /nfs/dbraw/zinc/21/25/89/1067212589.db2.gz VFOSMPVGCQTNCL-ILWGZMRPSA-N 1 1 459.660 3.326 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001304168138 1067214638 /nfs/dbraw/zinc/21/46/38/1067214638.db2.gz DIPBOOHXYCYSGP-AREMUKBSSA-N 1 1 479.629 3.090 20 0 JGADMO CS[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC001302577387 1067215137 /nfs/dbraw/zinc/21/51/37/1067215137.db2.gz BIOMJJQUVWWGKK-IYWMVGAKSA-N 1 1 453.697 3.495 20 0 JGADMO CS[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC001302577387 1067215147 /nfs/dbraw/zinc/21/51/47/1067215147.db2.gz BIOMJJQUVWWGKK-IYWMVGAKSA-N 1 1 453.697 3.495 20 0 JGADMO Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)no1 ZINC001304168396 1067215290 /nfs/dbraw/zinc/21/52/90/1067215290.db2.gz HLJGRBZVCSRASB-UHFFFAOYSA-N 1 1 481.645 3.433 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304169625 1067217775 /nfs/dbraw/zinc/21/77/75/1067217775.db2.gz HOCAWWXEFRDTPR-QIJUGHKUSA-N 1 1 468.646 3.261 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CC(F)(F)F)c1 ZINC001304170473 1067218056 /nfs/dbraw/zinc/21/80/56/1067218056.db2.gz LYDUVFLJEFZRFA-HKUYNNGSSA-N 1 1 453.509 3.193 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCOC(C)C)c1 ZINC001304172472 1067220638 /nfs/dbraw/zinc/22/06/38/1067220638.db2.gz YTSDLRQMYKUZGL-GMAHTHKFSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001304174223 1067222266 /nfs/dbraw/zinc/22/22/66/1067222266.db2.gz OASAWAOYVZDLPL-VWLOTQADSA-N 1 1 465.602 3.161 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ncn(C)n2)c1 ZINC001304174554 1067222803 /nfs/dbraw/zinc/22/28/03/1067222803.db2.gz IGFCNWNTEHWOKT-UHFFFAOYSA-N 1 1 466.634 3.207 20 0 JGADMO CS[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001302587816 1067224838 /nfs/dbraw/zinc/22/48/38/1067224838.db2.gz GCOLYQUGIUUKNB-RTWAWAEBSA-N 1 1 458.676 3.200 20 0 JGADMO CC(C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302588161 1067225292 /nfs/dbraw/zinc/22/52/92/1067225292.db2.gz QVKTUMQYFZSKHH-UHFFFAOYSA-N 1 1 458.010 3.305 20 0 JGADMO CS[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCOC(C)C)CC1)C(C)(C)C ZINC001302590019 1067227218 /nfs/dbraw/zinc/22/72/18/1067227218.db2.gz DBJXTGBKNLVEMA-NRFANRHFSA-N 1 1 477.723 3.464 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3c3nncn3C)n2CC[N@H+](C)C(C)C)c1 ZINC001304179343 1067228751 /nfs/dbraw/zinc/22/87/51/1067228751.db2.gz ULUFTAMQPCKCNW-NRFANRHFSA-N 1 1 452.607 3.284 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001304181248 1067229679 /nfs/dbraw/zinc/22/96/79/1067229679.db2.gz AQBDKYLJCMZHQH-NRFANRHFSA-N 1 1 468.646 3.405 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc(Cn2cccn2)cc1 ZINC001302594404 1067232557 /nfs/dbraw/zinc/23/25/57/1067232557.db2.gz UIWXBVGPNOMCMO-UHFFFAOYSA-N 1 1 451.619 3.242 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc(Cn2cccn2)cc1 ZINC001302594404 1067232565 /nfs/dbraw/zinc/23/25/65/1067232565.db2.gz UIWXBVGPNOMCMO-UHFFFAOYSA-N 1 1 451.619 3.242 20 0 JGADMO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302595226 1067232593 /nfs/dbraw/zinc/23/25/93/1067232593.db2.gz PNLZYHIEHRLKEN-VSKRKVRLSA-N 1 1 454.663 3.394 20 0 JGADMO Cc1cc(C)cc(OCCn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC001304184803 1067235835 /nfs/dbraw/zinc/23/58/35/1067235835.db2.gz HUIJCAFGYJVIKG-RUZDIDTESA-N 1 1 484.689 3.329 20 0 JGADMO CC(C)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302606935 1067241435 /nfs/dbraw/zinc/24/14/35/1067241435.db2.gz NEBLOXZOUJTOCM-UHFFFAOYSA-N 1 1 482.673 3.480 20 0 JGADMO Cc1cc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304194652 1067244088 /nfs/dbraw/zinc/24/40/88/1067244088.db2.gz BEJAJXKXPNCFGP-IBGZPJMESA-N 1 1 470.643 3.155 20 0 JGADMO Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+]2CCOCC2)no1 ZINC001304199041 1067249187 /nfs/dbraw/zinc/24/91/87/1067249187.db2.gz OHTVUNMGFHCSJI-OAHLLOKOSA-N 1 1 475.391 3.361 20 0 JGADMO Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)no1 ZINC001304207757 1067252799 /nfs/dbraw/zinc/25/27/99/1067252799.db2.gz CMKUYTCCRZIVSN-QHCPKHFHSA-N 1 1 452.603 3.467 20 0 JGADMO Cc1cc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)no1 ZINC001304209365 1067253320 /nfs/dbraw/zinc/25/33/20/1067253320.db2.gz VWHRTGNIHRJUJN-QFIPXVFZSA-N 1 1 474.556 3.437 20 0 JGADMO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCOCC2)no1 ZINC001304209840 1067253990 /nfs/dbraw/zinc/25/39/90/1067253990.db2.gz OCEJMWMVKVRQDM-QGZVFWFLSA-N 1 1 474.993 3.412 20 0 JGADMO CCN1CC[NH+](CCC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)CC1 ZINC001304210464 1067254659 /nfs/dbraw/zinc/25/46/59/1067254659.db2.gz ALJHQTVEGJTGHL-UHFFFAOYSA-N 1 1 458.647 3.099 20 0 JGADMO Cc1cccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304210562 1067254687 /nfs/dbraw/zinc/25/46/87/1067254687.db2.gz DOXIUTGNDVAHII-FGZHOGPDSA-N 1 1 454.619 3.017 20 0 JGADMO CC(C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001302632584 1067261504 /nfs/dbraw/zinc/26/15/04/1067261504.db2.gz FEMBZIOQHUKJDN-UHFFFAOYSA-N 1 1 453.635 3.308 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302635222 1067264559 /nfs/dbraw/zinc/26/45/59/1067264559.db2.gz QTOBFVNTBVNZSX-FCHUYYIVSA-N 1 1 484.645 3.120 20 0 JGADMO CSc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001302636897 1067267034 /nfs/dbraw/zinc/26/70/34/1067267034.db2.gz VHNCORQRGHYIJJ-NRFANRHFSA-N 1 1 470.687 3.298 20 0 JGADMO CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302638670 1067268294 /nfs/dbraw/zinc/26/82/94/1067268294.db2.gz OVQGXALJNSWXTH-UHFFFAOYSA-N 1 1 469.634 3.065 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CC(=O)N(C)C ZINC001304231403 1067268552 /nfs/dbraw/zinc/26/85/52/1067268552.db2.gz JAEKQDJZIULFNE-AZUAARDMSA-N 1 1 475.037 3.013 20 0 JGADMO CSc1cc(Cn2c(-c3cnccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)ccn1 ZINC001302640957 1067270104 /nfs/dbraw/zinc/27/01/04/1067270104.db2.gz HATAYXKKGAHRMN-UHFFFAOYSA-N 1 1 452.632 3.457 20 0 JGADMO CSc1cc(Cn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)ccn1 ZINC001302643078 1067271340 /nfs/dbraw/zinc/27/13/40/1067271340.db2.gz BTKLMOCEGANUMA-UHFFFAOYSA-N 1 1 481.670 3.224 20 0 JGADMO Cc1cc(F)ccc1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001304242069 1067279024 /nfs/dbraw/zinc/27/90/24/1067279024.db2.gz YWKWFADKUAXDCF-XMMPIXPASA-N 1 1 472.653 3.323 20 0 JGADMO Cc1cccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001304247190 1067282057 /nfs/dbraw/zinc/28/20/57/1067282057.db2.gz FGQHSNYFIRDPCF-JOCHJYFZSA-N 1 1 468.646 3.312 20 0 JGADMO Cc1cccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001304247190 1067282066 /nfs/dbraw/zinc/28/20/66/1067282066.db2.gz FGQHSNYFIRDPCF-JOCHJYFZSA-N 1 1 468.646 3.312 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302673383 1067299029 /nfs/dbraw/zinc/29/90/29/1067299029.db2.gz BYCOSPZYVUQLJM-UXHICEINSA-N 1 1 464.655 3.084 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304268758 1067302699 /nfs/dbraw/zinc/30/26/99/1067302699.db2.gz PVCZAGQFTURTOP-OAQYLSRUSA-N 1 1 498.672 3.101 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304268758 1067302704 /nfs/dbraw/zinc/30/27/04/1067302704.db2.gz PVCZAGQFTURTOP-OAQYLSRUSA-N 1 1 498.672 3.101 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCC(=O)N(C)C)c1 ZINC001304272751 1067308868 /nfs/dbraw/zinc/30/88/68/1067308868.db2.gz IVUSBVSMZRPHAZ-RTWAWAEBSA-N 1 1 468.646 3.440 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCC(=O)N(C)C)c1 ZINC001304272750 1067308918 /nfs/dbraw/zinc/30/89/18/1067308918.db2.gz IVUSBVSMZRPHAZ-NHCUHLMSSA-N 1 1 468.646 3.440 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C(C)C)C1 ZINC001302683926 1067309761 /nfs/dbraw/zinc/30/97/61/1067309761.db2.gz UIKKONSKJSLDDV-QGZVFWFLSA-N 1 1 450.678 3.332 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304273362 1067309906 /nfs/dbraw/zinc/30/99/06/1067309906.db2.gz LXVBECMICAKTNA-NRFANRHFSA-N 1 1 498.672 3.067 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC1CCN(CC(F)(F)F)CC1 ZINC001302689687 1067313983 /nfs/dbraw/zinc/31/39/83/1067313983.db2.gz PDVPILKOKWKAJA-SFHVURJKSA-N 1 1 472.600 3.365 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001302690599 1067315611 /nfs/dbraw/zinc/31/56/11/1067315611.db2.gz SYBKXLHCMKKGGC-QZTJIDSGSA-N 1 1 450.628 3.004 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302690975 1067315833 /nfs/dbraw/zinc/31/58/33/1067315833.db2.gz UHGLKHPBZFCDKE-CTNGQTDRSA-N 1 1 456.660 3.366 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302690978 1067316009 /nfs/dbraw/zinc/31/60/09/1067316009.db2.gz UHGLKHPBZFCDKE-TZIWHRDSSA-N 1 1 456.660 3.366 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001302691650 1067317068 /nfs/dbraw/zinc/31/70/68/1067317068.db2.gz ZCDHSOGVHZNPBI-LSQMVHIFSA-N 1 1 485.673 3.415 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001302693892 1067319247 /nfs/dbraw/zinc/31/92/47/1067319247.db2.gz YRWTWVLSSXXJCW-JOCHJYFZSA-N 1 1 492.615 3.282 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001302694874 1067319875 /nfs/dbraw/zinc/31/98/75/1067319875.db2.gz WUKCRTYJDVXZLX-HXUWFJFHSA-N 1 1 460.623 3.117 20 0 JGADMO Cc1ncsc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001304279622 1067320195 /nfs/dbraw/zinc/32/01/95/1067320195.db2.gz YAUZPJOUXRASOX-VQTJNVASSA-N 1 1 488.683 3.193 20 0 JGADMO Cc1nnc(CCn2c(COc3cc(C)ccc3C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001304281014 1067321743 /nfs/dbraw/zinc/32/17/43/1067321743.db2.gz AAIXYCOIQMMBGH-UHFFFAOYSA-N 1 1 499.685 3.424 20 0 JGADMO Cc1nnc(CCn2c(COc3cc(C)ccc3C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001304281014 1067321756 /nfs/dbraw/zinc/32/17/56/1067321756.db2.gz AAIXYCOIQMMBGH-UHFFFAOYSA-N 1 1 499.685 3.424 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2(C)COC2)c1 ZINC001304281040 1067321799 /nfs/dbraw/zinc/32/17/99/1067321799.db2.gz ANXSMHWPICEARQ-UHFFFAOYSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2(C)COC2)c1 ZINC001304281040 1067321806 /nfs/dbraw/zinc/32/18/06/1067321806.db2.gz ANXSMHWPICEARQ-UHFFFAOYSA-N 1 1 457.619 3.057 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302698437 1067323863 /nfs/dbraw/zinc/32/38/63/1067323863.db2.gz WZTVTQXAUVSPIS-WBVHZDCISA-N 1 1 483.480 3.099 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCC(=O)NC(C)C)c1 ZINC001304283302 1067323901 /nfs/dbraw/zinc/32/39/01/1067323901.db2.gz UGEDMCFRSAYKFQ-LEWJYISDSA-N 1 1 454.619 3.062 20 0 JGADMO CC(C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001302699302 1067324378 /nfs/dbraw/zinc/32/43/78/1067324378.db2.gz PVKWGDBTACICES-JXALWOEJSA-N 1 1 460.692 3.366 20 0 JGADMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc(I)c(Cl)c3)ccn2)CC1 ZINC001304283550 1067324377 /nfs/dbraw/zinc/32/43/77/1067324377.db2.gz YTJUMTISEIQRBJ-UHFFFAOYSA-N 1 1 456.715 3.344 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001304284088 1067325496 /nfs/dbraw/zinc/32/54/96/1067325496.db2.gz YFHURENESRGDHB-QFIPXVFZSA-N 1 1 465.520 3.239 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304289390 1067335046 /nfs/dbraw/zinc/33/50/46/1067335046.db2.gz XPESJZRJVUPULC-TZIWHRDSSA-N 1 1 457.575 3.318 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1 ZINC001302720743 1067336984 /nfs/dbraw/zinc/33/69/84/1067336984.db2.gz BFIJUCYPDOFYIF-TZIWHRDSSA-N 1 1 454.958 3.244 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCOCCC(C)C)c1 ZINC001304290869 1067338467 /nfs/dbraw/zinc/33/84/67/1067338467.db2.gz IUBXDAUGLZGDMJ-QFIPXVFZSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCOCCC(C)C)c1 ZINC001304290869 1067338475 /nfs/dbraw/zinc/33/84/75/1067338475.db2.gz IUBXDAUGLZGDMJ-QFIPXVFZSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001304295539 1067344464 /nfs/dbraw/zinc/34/44/64/1067344464.db2.gz DOCVMCXTZKLOCT-ISARSNTHSA-N 1 1 451.637 3.225 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC001304295870 1067345369 /nfs/dbraw/zinc/34/53/69/1067345369.db2.gz GGOSZQWKSNVIOT-FQEVSTJZSA-N 1 1 454.575 3.327 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302738353 1067350605 /nfs/dbraw/zinc/35/06/05/1067350605.db2.gz VTALWPRMKWHDSI-MAUKXSAKSA-N 1 1 451.413 3.381 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302738353 1067350615 /nfs/dbraw/zinc/35/06/15/1067350615.db2.gz VTALWPRMKWHDSI-MAUKXSAKSA-N 1 1 451.413 3.381 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)c2cccs2)o1 ZINC001304303973 1067352015 /nfs/dbraw/zinc/35/20/15/1067352015.db2.gz DUGDTNCPBJZPAQ-IXFSTUDKSA-N 1 1 459.616 3.361 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)c2cccs2)o1 ZINC001304303973 1067352019 /nfs/dbraw/zinc/35/20/19/1067352019.db2.gz DUGDTNCPBJZPAQ-IXFSTUDKSA-N 1 1 459.616 3.361 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCCc2nnc(C)s2)o1 ZINC001304304231 1067352352 /nfs/dbraw/zinc/35/23/52/1067352352.db2.gz KSGZKDGGNGIWDD-UHFFFAOYSA-N 1 1 459.620 3.186 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCCc2nnc(C)s2)o1 ZINC001304304231 1067352365 /nfs/dbraw/zinc/35/23/65/1067352365.db2.gz KSGZKDGGNGIWDD-UHFFFAOYSA-N 1 1 459.620 3.186 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CC2)cc1Br ZINC001304304992 1067353310 /nfs/dbraw/zinc/35/33/10/1067353310.db2.gz XERKYXBCGBBCTJ-CALCHBBNSA-N 1 1 478.435 3.086 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CC2)cc1Br ZINC001304304992 1067353324 /nfs/dbraw/zinc/35/33/24/1067353324.db2.gz XERKYXBCGBBCTJ-CALCHBBNSA-N 1 1 478.435 3.086 20 0 JGADMO Cc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[N@H+](C)C(C)C)cc1Br ZINC001304308065 1067355700 /nfs/dbraw/zinc/35/57/00/1067355700.db2.gz OCTSYCXCVBALPE-MRXNPFEDSA-N 1 1 463.424 3.023 20 0 JGADMO CSCCCCCn1c([C@H]2CCCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001302748206 1067356424 /nfs/dbraw/zinc/35/64/24/1067356424.db2.gz HKPIZOGKUFGFCA-PMACEKPBSA-N 1 1 451.681 3.395 20 0 JGADMO CC(C)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001302750580 1067357349 /nfs/dbraw/zinc/35/73/49/1067357349.db2.gz SLNFRSCQKWUFSD-QFIPXVFZSA-N 1 1 489.686 3.068 20 0 JGADMO CSCCCCCn1c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001302753979 1067358829 /nfs/dbraw/zinc/35/88/29/1067358829.db2.gz BIEXIECGSMOITM-UHFFFAOYSA-N 1 1 450.697 3.243 20 0 JGADMO CSCCCCCn1c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001302753979 1067358836 /nfs/dbraw/zinc/35/88/36/1067358836.db2.gz BIEXIECGSMOITM-UHFFFAOYSA-N 1 1 450.697 3.243 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)o1 ZINC001304311592 1067358884 /nfs/dbraw/zinc/35/88/84/1067358884.db2.gz OPXRBEAXJKPROY-UHFFFAOYSA-N 1 1 463.648 3.370 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001304312459 1067359747 /nfs/dbraw/zinc/35/97/47/1067359747.db2.gz PJIIHFPVDYDJNL-JOCHJYFZSA-N 1 1 477.451 3.448 20 0 JGADMO CSCCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302755059 1067360134 /nfs/dbraw/zinc/36/01/34/1067360134.db2.gz USCQDPLLRXDIKQ-HSALFYBXSA-N 1 1 494.706 3.103 20 0 JGADMO CSCCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302755059 1067360145 /nfs/dbraw/zinc/36/01/45/1067360145.db2.gz USCQDPLLRXDIKQ-HSALFYBXSA-N 1 1 494.706 3.103 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001304317380 1067365184 /nfs/dbraw/zinc/36/51/84/1067365184.db2.gz SYNZDAJWJNLGSK-WOJBJXKFSA-N 1 1 475.590 3.302 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304317968 1067365435 /nfs/dbraw/zinc/36/54/35/1067365435.db2.gz UIQIGBASLBJACW-NQIIRXRSSA-N 1 1 471.627 3.380 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCOC2)cc1Br ZINC001304318605 1067366099 /nfs/dbraw/zinc/36/60/99/1067366099.db2.gz RGCRUSUIFVWEJC-HSZRJFAPSA-N 1 1 492.462 3.478 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302771797 1067369386 /nfs/dbraw/zinc/36/93/86/1067369386.db2.gz CVMHLAZYYLOZLQ-IRXDYDNUSA-N 1 1 498.491 3.477 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCCOCC(F)F)o1 ZINC001304323128 1067371127 /nfs/dbraw/zinc/37/11/27/1067371127.db2.gz RSEKCZCJFDTDGU-GOSISDBHSA-N 1 1 453.534 3.067 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001302775940 1067373116 /nfs/dbraw/zinc/37/31/16/1067373116.db2.gz CFRMOFJCSDOPKR-HBMCJLEFSA-N 1 1 478.707 3.040 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(Cc4cccc(F)c4)C(=O)C3)n2CC[N@H+](C)C(C)C)o1 ZINC001304325884 1067374993 /nfs/dbraw/zinc/37/49/93/1067374993.db2.gz YVOSHEAGOJDFPF-UHFFFAOYSA-N 1 1 454.550 3.175 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001304328894 1067377278 /nfs/dbraw/zinc/37/72/78/1067377278.db2.gz RJOKFGLIKDJISV-MJGOQNOKSA-N 1 1 489.462 3.319 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCOCC2)s1 ZINC001304337514 1067383312 /nfs/dbraw/zinc/38/33/12/1067383312.db2.gz HNZWWFFUAZMUSE-DVECYGJZSA-N 1 1 477.675 3.293 20 0 JGADMO CSCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302793958 1067384694 /nfs/dbraw/zinc/38/46/94/1067384694.db2.gz LUPVFQZUFGRIRD-KDURUIRLSA-N 1 1 496.722 3.349 20 0 JGADMO CSCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302793958 1067384700 /nfs/dbraw/zinc/38/47/00/1067384700.db2.gz LUPVFQZUFGRIRD-KDURUIRLSA-N 1 1 496.722 3.349 20 0 JGADMO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001302799896 1067388877 /nfs/dbraw/zinc/38/88/77/1067388877.db2.gz WNXMMRJLGZUJEK-GOEBONIOSA-N 1 1 453.454 3.472 20 0 JGADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC001304349317 1067390657 /nfs/dbraw/zinc/39/06/57/1067390657.db2.gz FXSSKKMYHCOAFR-AZUAARDMSA-N 1 1 488.683 3.017 20 0 JGADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC001304349322 1067390709 /nfs/dbraw/zinc/39/07/09/1067390709.db2.gz FXSSKKMYHCOAFR-QUCCMNQESA-N 1 1 488.683 3.017 20 0 JGADMO COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001304352680 1067393563 /nfs/dbraw/zinc/39/35/63/1067393563.db2.gz QOTZAZLNBYYFTK-IZZNHLLZSA-N 1 1 473.573 3.218 20 0 JGADMO Cc1ccc(Cn2c(CC(C)C)nnc2N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)n1C ZINC001304359983 1067398245 /nfs/dbraw/zinc/39/82/45/1067398245.db2.gz KMXVNYTYFMKWBO-QHCPKHFHSA-N 1 1 462.642 3.490 20 0 JGADMO Cc1ccc(Cn2c(N(C)CC[N@@H+]3CCOC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)c(F)c1 ZINC001304362569 1067400534 /nfs/dbraw/zinc/40/05/34/1067400534.db2.gz DDZLFYSMUJRZEH-SANMLTNESA-N 1 1 489.636 3.362 20 0 JGADMO Cc1ccc(Cn2c(N(C)CC[N@H+]3CCOC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)c(F)c1 ZINC001304362569 1067400538 /nfs/dbraw/zinc/40/05/38/1067400538.db2.gz DDZLFYSMUJRZEH-SANMLTNESA-N 1 1 489.636 3.362 20 0 JGADMO CSCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001302814560 1067401350 /nfs/dbraw/zinc/40/13/50/1067401350.db2.gz SRELVBVCAIIIKW-SVFBPWRDSA-N 1 1 451.681 3.251 20 0 JGADMO Cc1ccc(CSCCn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304365939 1067404768 /nfs/dbraw/zinc/40/47/68/1067404768.db2.gz AZGYOHOXEMKATR-UHFFFAOYSA-N 1 1 483.686 3.467 20 0 JGADMO Cc1ccc(CSCCn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304365939 1067404770 /nfs/dbraw/zinc/40/47/70/1067404770.db2.gz AZGYOHOXEMKATR-UHFFFAOYSA-N 1 1 483.686 3.467 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2=O)cc1 ZINC001304373629 1067411606 /nfs/dbraw/zinc/41/16/06/1067411606.db2.gz YAEDGXVLWNXRPW-QFIPXVFZSA-N 1 1 468.646 3.094 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)CC2=O)cc1 ZINC001304374044 1067412572 /nfs/dbraw/zinc/41/25/72/1067412572.db2.gz KXUAQVTZWROWMP-UHFFFAOYSA-N 1 1 481.689 3.054 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)CC2=O)cc1 ZINC001304374044 1067412574 /nfs/dbraw/zinc/41/25/74/1067412574.db2.gz KXUAQVTZWROWMP-UHFFFAOYSA-N 1 1 481.689 3.054 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)CC2=O)cc1 ZINC001304374044 1067412576 /nfs/dbraw/zinc/41/25/76/1067412576.db2.gz KXUAQVTZWROWMP-UHFFFAOYSA-N 1 1 481.689 3.054 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCOC2)cc1C ZINC001304374079 1067412581 /nfs/dbraw/zinc/41/25/81/1067412581.db2.gz AFFKYRYCELWEFQ-BDTNDASRSA-N 1 1 484.645 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCOC2)cc1C ZINC001304374079 1067412582 /nfs/dbraw/zinc/41/25/82/1067412582.db2.gz AFFKYRYCELWEFQ-BDTNDASRSA-N 1 1 484.645 3.119 20 0 JGADMO Cc1c(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CC=CCC2)cnn1C ZINC001304374477 1067413327 /nfs/dbraw/zinc/41/33/27/1067413327.db2.gz LLNJNMIFUKRAGM-UHFFFAOYSA-N 1 1 462.602 3.087 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304375067 1067414259 /nfs/dbraw/zinc/41/42/59/1067414259.db2.gz JALNEIRIBKQELC-OAQYLSRUSA-N 1 1 497.688 3.177 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302827861 1067418043 /nfs/dbraw/zinc/41/80/43/1067418043.db2.gz DNVYVSLCTYMMAV-AQNXPRMDSA-N 1 1 461.676 3.181 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302827861 1067418047 /nfs/dbraw/zinc/41/80/47/1067418047.db2.gz DNVYVSLCTYMMAV-AQNXPRMDSA-N 1 1 461.676 3.181 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001304376815 1067418946 /nfs/dbraw/zinc/41/89/46/1067418946.db2.gz BBEAONPBAAQHBA-QFIPXVFZSA-N 1 1 495.672 3.359 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001304376838 1067418990 /nfs/dbraw/zinc/41/89/90/1067418990.db2.gz BFQXHPHIJDFHHL-OAQYLSRUSA-N 1 1 478.645 3.290 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC001304378542 1067422429 /nfs/dbraw/zinc/42/24/29/1067422429.db2.gz NWJHMQGFYXCGOY-XJUOHMSHSA-N 1 1 468.646 3.476 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001304379874 1067426336 /nfs/dbraw/zinc/42/63/36/1067426336.db2.gz VPPDXYWZODAAER-PWHSHALESA-N 1 1 468.646 3.476 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(C)(F)F)cc1C ZINC001304380326 1067427407 /nfs/dbraw/zinc/42/74/07/1067427407.db2.gz YUMCVHRIYAGGKU-AZUAARDMSA-N 1 1 476.572 3.349 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCCOCC(C)C)cc1C ZINC001304380390 1067427809 /nfs/dbraw/zinc/42/78/09/1067427809.db2.gz ZIBXOHKGXBCSGR-VWNXMTODSA-N 1 1 498.672 3.367 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302846804 1067432249 /nfs/dbraw/zinc/43/22/49/1067432249.db2.gz XXNWGOCSWGJHJE-MNAQKMTRSA-N 1 1 461.676 3.207 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304383829 1067433441 /nfs/dbraw/zinc/43/34/41/1067433441.db2.gz NCCPQMAFKBXFBT-FCHUYYIVSA-N 1 1 484.645 3.263 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302847932 1067433563 /nfs/dbraw/zinc/43/35/63/1067433563.db2.gz AMVDOCYXHBFUGV-QGZVFWFLSA-N 1 1 473.647 3.180 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1F ZINC001302850483 1067435168 /nfs/dbraw/zinc/43/51/68/1067435168.db2.gz NKNQARUZKBKRDQ-QAPCUYQASA-N 1 1 453.509 3.452 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1F ZINC001302850483 1067435173 /nfs/dbraw/zinc/43/51/73/1067435173.db2.gz NKNQARUZKBKRDQ-QAPCUYQASA-N 1 1 453.509 3.452 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001302853020 1067437689 /nfs/dbraw/zinc/43/76/89/1067437689.db2.gz QKPQSIGCIHMFFY-MUKKUYKPSA-N 1 1 488.352 3.409 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)C2)nc1 ZINC001304386304 1067440449 /nfs/dbraw/zinc/44/04/49/1067440449.db2.gz CXEJNMPFCHXGJG-NRFANRHFSA-N 1 1 496.704 3.160 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)C2)nc1 ZINC001304386304 1067440451 /nfs/dbraw/zinc/44/04/51/1067440451.db2.gz CXEJNMPFCHXGJG-NRFANRHFSA-N 1 1 496.704 3.160 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)C2)nc1 ZINC001304386304 1067440455 /nfs/dbraw/zinc/44/04/55/1067440455.db2.gz CXEJNMPFCHXGJG-NRFANRHFSA-N 1 1 496.704 3.160 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302857482 1067440554 /nfs/dbraw/zinc/44/05/54/1067440554.db2.gz UQVHGTKLUCJCRP-HSZRJFAPSA-N 1 1 483.579 3.474 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302857482 1067440555 /nfs/dbraw/zinc/44/05/55/1067440555.db2.gz UQVHGTKLUCJCRP-HSZRJFAPSA-N 1 1 483.579 3.474 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302857483 1067440604 /nfs/dbraw/zinc/44/06/04/1067440604.db2.gz UQVHGTKLUCJCRP-QHCPKHFHSA-N 1 1 483.579 3.474 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302857483 1067440605 /nfs/dbraw/zinc/44/06/05/1067440605.db2.gz UQVHGTKLUCJCRP-QHCPKHFHSA-N 1 1 483.579 3.474 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001304387714 1067444205 /nfs/dbraw/zinc/44/42/05/1067444205.db2.gz GDZOEFNMJZBMTD-VWPQPMDRSA-N 1 1 495.672 3.369 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304388258 1067445576 /nfs/dbraw/zinc/44/55/76/1067445576.db2.gz ASVATIRDQRORGT-GMAHTHKFSA-N 1 1 484.645 3.404 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCCCO2)n1CCSC(F)(F)F ZINC001302865704 1067446681 /nfs/dbraw/zinc/44/66/81/1067446681.db2.gz DSVMDSQAPPAYEH-NVXWUHKLSA-N 1 1 463.570 3.462 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2cccnc2)n1CCNC(=O)C(C)(C)C ZINC001302866336 1067447379 /nfs/dbraw/zinc/44/73/79/1067447379.db2.gz KYICMTAJZVYTBB-OAQYLSRUSA-N 1 1 475.641 3.137 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(Cc2ccc(F)cc2)n1CCCOCC(F)F ZINC001302866395 1067447432 /nfs/dbraw/zinc/44/74/32/1067447432.db2.gz NQKADPCTDYGJMR-GOSISDBHSA-N 1 1 481.563 3.369 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302872732 1067456136 /nfs/dbraw/zinc/45/61/36/1067456136.db2.gz PVBVKTRZTFNGGY-VWNXMTODSA-N 1 1 482.673 3.323 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@@H+]2CCc3sccc3C2)cc1C ZINC001304395336 1067456961 /nfs/dbraw/zinc/45/69/61/1067456961.db2.gz CNQJJEYIZQSJJH-IBGZPJMESA-N 1 1 482.654 3.294 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@H+]2CCc3sccc3C2)cc1C ZINC001304395336 1067456963 /nfs/dbraw/zinc/45/69/63/1067456963.db2.gz CNQJJEYIZQSJJH-IBGZPJMESA-N 1 1 482.654 3.294 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001304396538 1067458336 /nfs/dbraw/zinc/45/83/36/1067458336.db2.gz HORKMTBRFCFBIJ-HXUWFJFHSA-N 1 1 464.614 3.474 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC001304400283 1067463334 /nfs/dbraw/zinc/46/33/34/1067463334.db2.gz JIJLDVZYIRBVRD-DEOSSOPVSA-N 1 1 481.645 3.201 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001302881989 1067463559 /nfs/dbraw/zinc/46/35/59/1067463559.db2.gz NVHJMFZYGTVEJV-JOCHJYFZSA-N 1 1 482.551 3.162 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCOC2)cc1C ZINC001304404340 1067466725 /nfs/dbraw/zinc/46/67/25/1067466725.db2.gz PVIBNOAQBWWJGJ-NRFANRHFSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCOC2)cc1C ZINC001304404340 1067466730 /nfs/dbraw/zinc/46/67/30/1067466730.db2.gz PVIBNOAQBWWJGJ-NRFANRHFSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2(O)CCCCC2)cc1 ZINC001304404760 1067466766 /nfs/dbraw/zinc/46/67/66/1067466766.db2.gz RLMWPBAZSBPNRR-UHFFFAOYSA-N 1 1 471.646 3.408 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2(O)CCCCC2)cc1 ZINC001304404760 1067466770 /nfs/dbraw/zinc/46/67/70/1067466770.db2.gz RLMWPBAZSBPNRR-UHFFFAOYSA-N 1 1 471.646 3.408 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCSCCCO)cc1C ZINC001304404656 1067467343 /nfs/dbraw/zinc/46/73/43/1067467343.db2.gz QPZZKFNIGILKMK-NHCUHLMSSA-N 1 1 459.660 3.262 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302888504 1067468319 /nfs/dbraw/zinc/46/83/19/1067468319.db2.gz BHNJEKLIYUWKDA-ZEQRLZLVSA-N 1 1 466.674 3.488 20 0 JGADMO C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302890547 1067470148 /nfs/dbraw/zinc/47/01/48/1067470148.db2.gz DSGFOMASKXGJGD-PMACEKPBSA-N 1 1 476.666 3.492 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001304406983 1067471117 /nfs/dbraw/zinc/47/11/17/1067471117.db2.gz LGEKZCWSIFBWHX-PCCBWWKXSA-N 1 1 459.660 3.343 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001304407135 1067471608 /nfs/dbraw/zinc/47/16/08/1067471608.db2.gz IVUSUDKUKGBDQG-SANMLTNESA-N 1 1 470.662 3.197 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001302892088 1067471662 /nfs/dbraw/zinc/47/16/62/1067471662.db2.gz AKUOCIOYOHMUOL-WSTZPKSXSA-N 1 1 455.594 3.226 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001304409358 1067474821 /nfs/dbraw/zinc/47/48/21/1067474821.db2.gz NPXZFTHZBGKJKZ-UHFFFAOYSA-N 1 1 479.629 3.455 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304410486 1067477178 /nfs/dbraw/zinc/47/71/78/1067477178.db2.gz GCNQGCLMZWNRIP-YADHBBJMSA-N 1 1 489.686 3.218 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304410486 1067477180 /nfs/dbraw/zinc/47/71/80/1067477180.db2.gz GCNQGCLMZWNRIP-YADHBBJMSA-N 1 1 489.686 3.218 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001304411387 1067479123 /nfs/dbraw/zinc/47/91/23/1067479123.db2.gz SWFMCVCJULDQRS-GGAORHGYSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001304411386 1067479269 /nfs/dbraw/zinc/47/92/69/1067479269.db2.gz SWFMCVCJULDQRS-FYYLOGMGSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304412779 1067481869 /nfs/dbraw/zinc/48/18/69/1067481869.db2.gz NLJBJIRNIOTEEY-IFMALSPDSA-N 1 1 468.646 3.296 20 0 JGADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302899778 1067482067 /nfs/dbraw/zinc/48/20/67/1067482067.db2.gz MPUBPFAUCAXLPA-UHFFFAOYSA-N 1 1 486.636 3.125 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302900190 1067482937 /nfs/dbraw/zinc/48/29/37/1067482937.db2.gz SFDOVUPOIDTRBG-DENIHFKCSA-N 1 1 453.635 3.037 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302900192 1067482990 /nfs/dbraw/zinc/48/29/90/1067482990.db2.gz SFDOVUPOIDTRBG-SIKLNZKXSA-N 1 1 453.635 3.037 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)C2CC2)C[C@H](C)O1 ZINC001302901025 1067483988 /nfs/dbraw/zinc/48/39/88/1067483988.db2.gz CDUUCXRGAAHLDH-IYBDPMFKSA-N 1 1 495.455 3.324 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)C2CC2)C[C@H](C)O1 ZINC001302901025 1067483990 /nfs/dbraw/zinc/48/39/90/1067483990.db2.gz CDUUCXRGAAHLDH-IYBDPMFKSA-N 1 1 495.455 3.324 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCO[C@H]2CCOC2)C[C@H](C)O1 ZINC001302901060 1067484443 /nfs/dbraw/zinc/48/44/43/1067484443.db2.gz DVIPNTWFNMNOBI-NSHGMRRFSA-N 1 1 496.027 3.479 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCO[C@H]2CCOC2)C[C@H](C)O1 ZINC001302901060 1067484448 /nfs/dbraw/zinc/48/44/48/1067484448.db2.gz DVIPNTWFNMNOBI-NSHGMRRFSA-N 1 1 496.027 3.479 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(-c4cnn(C)c4)n3CCC(C)(F)F)CC2)C[C@H](C)O1 ZINC001302901194 1067484532 /nfs/dbraw/zinc/48/45/32/1067484532.db2.gz FTDSOZXPSSOWAM-CALCHBBNSA-N 1 1 451.566 3.050 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302901390 1067484964 /nfs/dbraw/zinc/48/49/64/1067484964.db2.gz RTPZISVVQSLSDQ-RUZDIDTESA-N 1 1 476.065 3.425 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302901390 1067484966 /nfs/dbraw/zinc/48/49/66/1067484966.db2.gz RTPZISVVQSLSDQ-RUZDIDTESA-N 1 1 476.065 3.425 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Br)cc3)n2Cc2ccn(C)n2)C[C@H](C)O1 ZINC001302901493 1067485034 /nfs/dbraw/zinc/48/50/34/1067485034.db2.gz JXADVCQRKYXOGQ-CALCHBBNSA-N 1 1 488.434 3.035 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Br)cc3)n2Cc2ccn(C)n2)C[C@H](C)O1 ZINC001302901493 1067485036 /nfs/dbraw/zinc/48/50/36/1067485036.db2.gz JXADVCQRKYXOGQ-CALCHBBNSA-N 1 1 488.434 3.035 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001304414877 1067485224 /nfs/dbraw/zinc/48/52/24/1067485224.db2.gz LNXYTHAVWIKVIZ-UHFFFAOYSA-N 1 1 479.629 3.455 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(COc2ccc(Cl)cc2)n1CCOCC(F)F ZINC001302901592 1067485555 /nfs/dbraw/zinc/48/55/55/1067485555.db2.gz MPXNDYWCAVZJQR-KRWDZBQOSA-N 1 1 499.990 3.482 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(Br)cn3C)n2CCC2CC2)C[C@H](C)O1 ZINC001302901923 1067486079 /nfs/dbraw/zinc/48/60/79/1067486079.db2.gz ULKAAQPBXHJNPM-IYBDPMFKSA-N 1 1 465.440 3.392 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(Br)cn3C)n2CCC2CC2)C[C@H](C)O1 ZINC001302901923 1067486081 /nfs/dbraw/zinc/48/60/81/1067486081.db2.gz ULKAAQPBXHJNPM-IYBDPMFKSA-N 1 1 465.440 3.392 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001304415334 1067486200 /nfs/dbraw/zinc/48/62/00/1067486200.db2.gz BCLHXLTYAIMSAD-JTHBVZDNSA-N 1 1 489.686 3.362 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(F)(F)F ZINC001302902106 1067486496 /nfs/dbraw/zinc/48/64/96/1067486496.db2.gz CLAJZIBIIHPSHV-DLBZAZTESA-N 1 1 459.557 3.450 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@H]4CCCCO4)n3CCOCC(F)F)CC2)C[C@H](C)O1 ZINC001302902242 1067487046 /nfs/dbraw/zinc/48/70/46/1067487046.db2.gz ZOWWFVXTYPNMHW-WSTZPKSXSA-N 1 1 471.593 3.127 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302902189 1067487073 /nfs/dbraw/zinc/48/70/73/1067487073.db2.gz YBQPABBTPCJVRA-RZUBCFFCSA-N 1 1 495.734 3.332 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Cl)cc2)n1CCCC(=O)N(C)C ZINC001302902753 1067488131 /nfs/dbraw/zinc/48/81/31/1067488131.db2.gz OGKGXJJBCWZDBT-SFHVURJKSA-N 1 1 475.037 3.156 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2(C)COCCO2)cc1C ZINC001304417223 1067489641 /nfs/dbraw/zinc/48/96/41/1067489641.db2.gz WNFHNYYEOCYKQA-RUZDIDTESA-N 1 1 457.619 3.200 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2Cc2ccccc2Br)C[C@H](C)O1 ZINC001302905370 1067490411 /nfs/dbraw/zinc/49/04/11/1067490411.db2.gz MSGSUZNEQHKACR-CALCHBBNSA-N 1 1 486.418 3.091 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2Cc2ccccc2Br)C[C@H](C)O1 ZINC001302905370 1067490414 /nfs/dbraw/zinc/49/04/14/1067490414.db2.gz MSGSUZNEQHKACR-CALCHBBNSA-N 1 1 486.418 3.091 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC001302905684 1067490899 /nfs/dbraw/zinc/49/08/99/1067490899.db2.gz UQVPYKOZEVDKTA-ZFGGDYGUSA-N 1 1 498.672 3.010 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC001302905684 1067490903 /nfs/dbraw/zinc/49/09/03/1067490903.db2.gz UQVPYKOZEVDKTA-ZFGGDYGUSA-N 1 1 498.672 3.010 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(F)cn2)C[C@H](C)O1 ZINC001302906967 1067491818 /nfs/dbraw/zinc/49/18/18/1067491818.db2.gz COQDQOLDBWIZMS-CALCHBBNSA-N 1 1 474.531 3.275 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(F)cn2)C[C@H](C)O1 ZINC001302906967 1067491827 /nfs/dbraw/zinc/49/18/27/1067491827.db2.gz COQDQOLDBWIZMS-CALCHBBNSA-N 1 1 474.531 3.275 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CCc3ccccc3)n2Cc2nccn2C(F)F)C[C@H](C)O1 ZINC001302907761 1067492408 /nfs/dbraw/zinc/49/24/08/1067492408.db2.gz HKMNJVISQMUXDN-KDURUIRLSA-N 1 1 473.572 3.249 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CCc3ccccc3)n2Cc2nccn2C(F)F)C[C@H](C)O1 ZINC001302907761 1067492413 /nfs/dbraw/zinc/49/24/13/1067492413.db2.gz HKMNJVISQMUXDN-KDURUIRLSA-N 1 1 473.572 3.249 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC001302908388 1067492868 /nfs/dbraw/zinc/49/28/68/1067492868.db2.gz KOZKCGAKAUHLGL-HDICACEKSA-N 1 1 456.541 3.136 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC001302908388 1067492872 /nfs/dbraw/zinc/49/28/72/1067492872.db2.gz KOZKCGAKAUHLGL-HDICACEKSA-N 1 1 456.541 3.136 20 0 JGADMO CC(C)Cc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302908244 1067492947 /nfs/dbraw/zinc/49/29/47/1067492947.db2.gz JNZNBLFLKJVMPD-QFIPXVFZSA-N 1 1 463.667 3.142 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2CCn2cc(Cl)cn2)C[C@H](C)O1 ZINC001302909421 1067494486 /nfs/dbraw/zinc/49/44/86/1067494486.db2.gz SGSIRUHNMNNLLM-CALCHBBNSA-N 1 1 464.039 3.026 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2CCn2cc(Cl)cn2)C[C@H](C)O1 ZINC001302909421 1067494492 /nfs/dbraw/zinc/49/44/92/1067494492.db2.gz SGSIRUHNMNNLLM-CALCHBBNSA-N 1 1 464.039 3.026 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccccc3F)n2C[C@H]2CCC=CO2)C[C@H](C)O1 ZINC001302909414 1067494673 /nfs/dbraw/zinc/49/46/73/1067494673.db2.gz SDNROTJJCNZLSJ-HSALFYBXSA-N 1 1 459.566 3.234 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccccc3F)n2C[C@H]2CCC=CO2)C[C@H](C)O1 ZINC001302909414 1067494677 /nfs/dbraw/zinc/49/46/77/1067494677.db2.gz SDNROTJJCNZLSJ-HSALFYBXSA-N 1 1 459.566 3.234 20 0 JGADMO Cc1ccc(OCCCCn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001304421880 1067497590 /nfs/dbraw/zinc/49/75/90/1067497590.db2.gz AKPYCQZJLXEWOX-UHFFFAOYSA-N 1 1 468.646 3.489 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001304422955 1067499426 /nfs/dbraw/zinc/49/94/26/1067499426.db2.gz SQZVSWMRPDYAGJ-NHCUHLMSSA-N 1 1 459.660 3.344 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001304426090 1067503708 /nfs/dbraw/zinc/50/37/08/1067503708.db2.gz WNMBIHAXEJNNHP-HYBUGGRVSA-N 1 1 471.646 3.303 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001304427041 1067504024 /nfs/dbraw/zinc/50/40/24/1067504024.db2.gz ATDAAXFPYFEWEW-OAQYLSRUSA-N 1 1 450.587 3.193 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001304427149 1067504380 /nfs/dbraw/zinc/50/43/80/1067504380.db2.gz COARMMPKVKFFHK-UHFFFAOYSA-N 1 1 450.587 3.275 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001304427149 1067504390 /nfs/dbraw/zinc/50/43/90/1067504390.db2.gz COARMMPKVKFFHK-UHFFFAOYSA-N 1 1 450.587 3.275 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302928220 1067505904 /nfs/dbraw/zinc/50/59/04/1067505904.db2.gz CUTXLQPVHZBVKX-QFIPXVFZSA-N 1 1 494.750 3.429 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302928741 1067506412 /nfs/dbraw/zinc/50/64/12/1067506412.db2.gz GBSGGFODSFPREP-XPNTWCBSSA-N 1 1 494.750 3.428 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001304430601 1067508279 /nfs/dbraw/zinc/50/82/79/1067508279.db2.gz YSLZZJGJNGIZEK-YADHBBJMSA-N 1 1 457.619 3.107 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304430598 1067508310 /nfs/dbraw/zinc/50/83/10/1067508310.db2.gz YSLZZJGJNGIZEK-FCHUYYIVSA-N 1 1 457.619 3.107 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001302933259 1067508542 /nfs/dbraw/zinc/50/85/42/1067508542.db2.gz KPOGLGRDXZBHGY-UHFFFAOYSA-N 1 1 482.673 3.447 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302933975 1067508883 /nfs/dbraw/zinc/50/88/83/1067508883.db2.gz SDNSPBTVZZJWTB-XMMPIXPASA-N 1 1 482.673 3.186 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@H]3CCOC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001304431681 1067510013 /nfs/dbraw/zinc/51/00/13/1067510013.db2.gz KCQONJZLWNPLPH-QFIPXVFZSA-N 1 1 472.703 3.378 20 0 JGADMO CC(C)Cc1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302937060 1067510324 /nfs/dbraw/zinc/51/03/24/1067510324.db2.gz HYWREIKTLPNODG-BJKOFHAPSA-N 1 1 482.673 3.387 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCNS(C)(=O)=O)cc1 ZINC001304437686 1067517300 /nfs/dbraw/zinc/51/73/00/1067517300.db2.gz GBEGFRCAVIQBIW-UHFFFAOYSA-N 1 1 494.731 3.129 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCN2CCSCC2)cc1 ZINC001304438501 1067518294 /nfs/dbraw/zinc/51/82/94/1067518294.db2.gz XTDZAAVPCXNMLF-UHFFFAOYSA-N 1 1 460.717 3.458 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302945727 1067518827 /nfs/dbraw/zinc/51/88/27/1067518827.db2.gz JBRIBCPHXNEGOJ-RTWAWAEBSA-N 1 1 478.682 3.159 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001302948901 1067522302 /nfs/dbraw/zinc/52/23/02/1067522302.db2.gz VRBPWXFUWBUAGB-JTHBVZDNSA-N 1 1 452.647 3.446 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302948993 1067522816 /nfs/dbraw/zinc/52/28/16/1067522816.db2.gz WMALDLNCSVLJEO-OTWHNJEPSA-N 1 1 460.589 3.049 20 0 JGADMO Cc1cccc(C)c1CCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304444133 1067526154 /nfs/dbraw/zinc/52/61/54/1067526154.db2.gz AHWAAMYIXZJMTQ-UHFFFAOYSA-N 1 1 463.630 3.389 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCS(=O)(=O)c1ccccc1 ZINC001302956722 1067528581 /nfs/dbraw/zinc/52/85/81/1067528581.db2.gz IEMSWZAZKKTJGK-UHFFFAOYSA-N 1 1 459.660 3.405 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302957503 1067528840 /nfs/dbraw/zinc/52/88/40/1067528840.db2.gz QNPDBKSTFKAHKJ-TZIWHRDSSA-N 1 1 486.627 3.440 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302958778 1067530423 /nfs/dbraw/zinc/53/04/23/1067530423.db2.gz JCGYISVDURBFIG-QHCPKHFHSA-N 1 1 487.737 3.122 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302960664 1067532148 /nfs/dbraw/zinc/53/21/48/1067532148.db2.gz BXJFSDQOJIMNQR-DEOSSOPVSA-N 1 1 454.663 3.208 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001302962033 1067533385 /nfs/dbraw/zinc/53/33/85/1067533385.db2.gz STMHYXOAGNAACM-XMMPIXPASA-N 1 1 454.663 3.207 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001302962033 1067533388 /nfs/dbraw/zinc/53/33/88/1067533388.db2.gz STMHYXOAGNAACM-XMMPIXPASA-N 1 1 454.663 3.207 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCN(C)CC(F)(F)F ZINC001302962218 1067533627 /nfs/dbraw/zinc/53/36/27/1067533627.db2.gz VYYSDFMVOSCBGQ-UHFFFAOYSA-N 1 1 456.532 3.432 20 0 JGADMO Fc1cc(Cl)ccc1-c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302962102 1067533707 /nfs/dbraw/zinc/53/37/07/1067533707.db2.gz XDWSNMMJJHOSDL-UHFFFAOYSA-N 1 1 454.928 3.387 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302962189 1067533772 /nfs/dbraw/zinc/53/37/72/1067533772.db2.gz VPNFJFHWVGLAQQ-QFIPXVFZSA-N 1 1 476.616 3.155 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@](C)(O)c1ccccc1 ZINC001302965979 1067536290 /nfs/dbraw/zinc/53/62/90/1067536290.db2.gz MGRSTFXLUFCIST-QSEAXJEQSA-N 1 1 468.690 3.379 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001302966187 1067536320 /nfs/dbraw/zinc/53/63/20/1067536320.db2.gz OFIDFIOKQMORNC-UKILVPOCSA-N 1 1 468.690 3.403 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001304458516 1067538228 /nfs/dbraw/zinc/53/82/28/1067538228.db2.gz XSXNFJDBXQVLLL-OAHLLOKOSA-N 1 1 481.548 3.481 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001304458516 1067538236 /nfs/dbraw/zinc/53/82/36/1067538236.db2.gz XSXNFJDBXQVLLL-OAHLLOKOSA-N 1 1 481.548 3.481 20 0 JGADMO Cc1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H]2CCC[N@H+]2CCCO)n1 ZINC001304462698 1067540938 /nfs/dbraw/zinc/54/09/38/1067540938.db2.gz ARAMFPSPSLIGPZ-GOSISDBHSA-N 1 1 450.509 3.194 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304464018 1067542144 /nfs/dbraw/zinc/54/21/44/1067542144.db2.gz CJHBGBRAWSOBHW-NRFANRHFSA-N 1 1 497.688 3.136 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304464018 1067542151 /nfs/dbraw/zinc/54/21/51/1067542151.db2.gz CJHBGBRAWSOBHW-NRFANRHFSA-N 1 1 497.688 3.136 20 0 JGADMO Cc1cccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304464111 1067542545 /nfs/dbraw/zinc/54/25/45/1067542545.db2.gz JAXPRUKJWJLKGG-SFTDATJTSA-N 1 1 461.614 3.226 20 0 JGADMO Fc1ccccc1OCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCOCC(F)F ZINC001302977514 1067543536 /nfs/dbraw/zinc/54/35/36/1067543536.db2.gz NCRHYVWRMRLIHJ-QGZVFWFLSA-N 1 1 453.509 3.343 20 0 JGADMO Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001304466060 1067544389 /nfs/dbraw/zinc/54/43/89/1067544389.db2.gz RPKIMZXMYZZGQN-HXUWFJFHSA-N 1 1 456.635 3.279 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCN2CCSCC2)n1 ZINC001304467617 1067546109 /nfs/dbraw/zinc/54/61/09/1067546109.db2.gz OSVQGSPZKICQAJ-UHFFFAOYSA-N 1 1 457.692 3.254 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCN2CCSCC2)n1 ZINC001304467617 1067546118 /nfs/dbraw/zinc/54/61/18/1067546118.db2.gz OSVQGSPZKICQAJ-UHFFFAOYSA-N 1 1 457.692 3.254 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001304468550 1067547316 /nfs/dbraw/zinc/54/73/16/1067547316.db2.gz HLERJUNPWHKLTE-FPOVZHCZSA-N 1 1 467.662 3.464 20 0 JGADMO CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302984302 1067547744 /nfs/dbraw/zinc/54/77/44/1067547744.db2.gz CQNCTTSWIUAWTJ-IFMALSPDSA-N 1 1 459.660 3.012 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304469746 1067548627 /nfs/dbraw/zinc/54/86/27/1067548627.db2.gz QSEHYWLJUOFZGV-LJQANCHMSA-N 1 1 453.635 3.075 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001304477488 1067555544 /nfs/dbraw/zinc/55/55/44/1067555544.db2.gz KKEYTPYHUKXFIB-FQEVSTJZSA-N 1 1 499.660 3.205 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001304477488 1067555547 /nfs/dbraw/zinc/55/55/47/1067555547.db2.gz KKEYTPYHUKXFIB-FQEVSTJZSA-N 1 1 499.660 3.205 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304478090 1067556464 /nfs/dbraw/zinc/55/64/64/1067556464.db2.gz QPTGDOUXESTEGU-OYRHEFFESA-N 1 1 467.662 3.321 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[N@@H+](Cc4ccccc4)CC3)n2CC(=O)NCC(F)(F)F)n1 ZINC001304478983 1067558062 /nfs/dbraw/zinc/55/80/62/1067558062.db2.gz LXMRWPZPVAMCJC-UHFFFAOYSA-N 1 1 487.530 3.039 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001304484465 1067563617 /nfs/dbraw/zinc/56/36/17/1067563617.db2.gz KFJBGCOTFXJCMY-IBGZPJMESA-N 1 1 453.591 3.014 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001304484437 1067563727 /nfs/dbraw/zinc/56/37/27/1067563727.db2.gz JOWFIQOMRWHSSM-ROUUACIJSA-N 1 1 455.607 3.235 20 0 JGADMO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC001304489096 1067567743 /nfs/dbraw/zinc/56/77/43/1067567743.db2.gz CFJHYRTYAKNVJR-VXKWHMMOSA-N 1 1 467.662 3.453 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303015251 1067569344 /nfs/dbraw/zinc/56/93/44/1067569344.db2.gz FRVXFMQVCAUUTG-BVAGGSTKSA-N 1 1 473.637 3.496 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303017705 1067571152 /nfs/dbraw/zinc/57/11/52/1067571152.db2.gz UTHZYIVEXBJTIX-HFZDXXHNSA-N 1 1 470.662 3.141 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303020198 1067572502 /nfs/dbraw/zinc/57/25/02/1067572502.db2.gz ADUXWSJLPJGVNZ-IZZNHLLZSA-N 1 1 489.636 3.484 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303021113 1067572696 /nfs/dbraw/zinc/57/26/96/1067572696.db2.gz HETIRYBXKSULAP-HYBUGGRVSA-N 1 1 478.037 3.219 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303021113 1067572702 /nfs/dbraw/zinc/57/27/02/1067572702.db2.gz HETIRYBXKSULAP-HYBUGGRVSA-N 1 1 478.037 3.219 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001304502149 1067576446 /nfs/dbraw/zinc/57/64/46/1067576446.db2.gz DHOFQJPKJAYMOP-FPOVZHCZSA-N 1 1 475.659 3.052 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC001304502149 1067576454 /nfs/dbraw/zinc/57/64/54/1067576454.db2.gz DHOFQJPKJAYMOP-FPOVZHCZSA-N 1 1 475.659 3.052 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001304504098 1067578170 /nfs/dbraw/zinc/57/81/70/1067578170.db2.gz RDHKEJVMYBXFOU-FQEVSTJZSA-N 1 1 454.619 3.132 20 0 JGADMO CC(C)CCCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001303026653 1067578480 /nfs/dbraw/zinc/57/84/80/1067578480.db2.gz HCAWMMCQHJSTRW-HSZRJFAPSA-N 1 1 455.651 3.008 20 0 JGADMO Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304509278 1067583586 /nfs/dbraw/zinc/58/35/86/1067583586.db2.gz UHWPBRVDJVWRLN-AZUAARDMSA-N 1 1 497.562 3.432 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001304509597 1067584133 /nfs/dbraw/zinc/58/41/33/1067584133.db2.gz SGWNYBYAFASGQI-QFIPXVFZSA-N 1 1 489.686 3.301 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001304509597 1067584140 /nfs/dbraw/zinc/58/41/40/1067584140.db2.gz SGWNYBYAFASGQI-QFIPXVFZSA-N 1 1 489.686 3.301 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304509694 1067584176 /nfs/dbraw/zinc/58/41/76/1067584176.db2.gz HGLCKGTWCKZNEA-BDTNDASRSA-N 1 1 468.646 3.235 20 0 JGADMO CC(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303040085 1067585164 /nfs/dbraw/zinc/58/51/64/1067585164.db2.gz GCGIZMHNBNOTNQ-JOCHJYFZSA-N 1 1 472.609 3.175 20 0 JGADMO CC(C)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001303039988 1067585173 /nfs/dbraw/zinc/58/51/73/1067585173.db2.gz BJJBXAFUDADPMG-UYAOXDASSA-N 1 1 454.685 3.168 20 0 JGADMO CC(C)CCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303041059 1067585875 /nfs/dbraw/zinc/58/58/75/1067585875.db2.gz NJBCWXNETZNQSV-NRFANRHFSA-N 1 1 472.609 3.175 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001304511148 1067586611 /nfs/dbraw/zinc/58/66/11/1067586611.db2.gz ICSLXZTXLAVQDZ-UHFFFAOYSA-N 1 1 465.602 3.065 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001304512456 1067589215 /nfs/dbraw/zinc/58/92/15/1067589215.db2.gz PLIDKNCYJQFGPT-FCHUYYIVSA-N 1 1 468.646 3.343 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001304512460 1067589365 /nfs/dbraw/zinc/58/93/65/1067589365.db2.gz PLIDKNCYJQFGPT-VXKWHMMOSA-N 1 1 468.646 3.343 20 0 JGADMO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303047952 1067589698 /nfs/dbraw/zinc/58/96/98/1067589698.db2.gz OFZNPYJSVOYTHC-UHFFFAOYSA-N 1 1 466.634 3.102 20 0 JGADMO O=C(CCCCc1ccc(Br)cc1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049508 1067590451 /nfs/dbraw/zinc/59/04/51/1067590451.db2.gz FSSSYTCHLYXAJT-NRFANRHFSA-N 1 1 452.437 3.075 20 0 JGADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001304520623 1067596270 /nfs/dbraw/zinc/59/62/70/1067596270.db2.gz NHGUXXWICZCRAB-NNWRFLSQSA-N 1 1 454.619 3.092 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)Cc2ccccn2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304521566 1067596818 /nfs/dbraw/zinc/59/68/18/1067596818.db2.gz LHYMKZPVIBBYGC-QHCPKHFHSA-N 1 1 461.614 3.228 20 0 JGADMO O=C(c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCSCC(F)(F)F)N1CCCC1 ZINC001303062669 1067598446 /nfs/dbraw/zinc/59/84/46/1067598446.db2.gz PTKUHEHILTYYLM-UHFFFAOYSA-N 1 1 474.597 3.264 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304536686 1067607716 /nfs/dbraw/zinc/60/77/16/1067607716.db2.gz DFSSPWMEBQMNRZ-SZPZYZBQSA-N 1 1 468.646 3.057 20 0 JGADMO CCOC(=O)c1sc([C@H]2CCN(C(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)C2)nc1C ZINC001303076197 1067609280 /nfs/dbraw/zinc/60/92/80/1067609280.db2.gz NFCRWXMRNGRXMI-FQEVSTJZSA-N 1 1 456.612 3.005 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCNC(=O)C(C)(C)C ZINC001304546542 1067615731 /nfs/dbraw/zinc/61/57/31/1067615731.db2.gz IFZCLPRJOVEOQO-UHFFFAOYSA-N 1 1 484.689 3.134 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCOC[C@@H]1C ZINC001304546665 1067615854 /nfs/dbraw/zinc/61/58/54/1067615854.db2.gz BNADKQLXXMZRLY-YCSHWKNNSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCOC[C@@H]1C ZINC001304546665 1067615858 /nfs/dbraw/zinc/61/58/58/1067615858.db2.gz BNADKQLXXMZRLY-YCSHWKNNSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001304549096 1067618106 /nfs/dbraw/zinc/61/81/06/1067618106.db2.gz DCPDZDOANHRDIP-OAQYLSRUSA-N 1 1 461.676 3.026 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001304551054 1067620551 /nfs/dbraw/zinc/62/05/51/1067620551.db2.gz ONVXCABFLLMIIJ-QFIPXVFZSA-N 1 1 473.687 3.169 20 0 JGADMO O=C(NCc1ccc(Cl)cc1)c1nnc(N2CCC(F)(F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001303088378 1067622764 /nfs/dbraw/zinc/62/27/64/1067622764.db2.gz QNNMDEFDERQJIU-UHFFFAOYSA-N 1 1 496.990 3.209 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001304561432 1067631541 /nfs/dbraw/zinc/63/15/41/1067631541.db2.gz ZPQHISMLEBPKSK-FQEVSTJZSA-N 1 1 494.606 3.361 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001304561432 1067631543 /nfs/dbraw/zinc/63/15/43/1067631543.db2.gz ZPQHISMLEBPKSK-FQEVSTJZSA-N 1 1 494.606 3.361 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001304562724 1067633078 /nfs/dbraw/zinc/63/30/78/1067633078.db2.gz YARPLXVPNPYDFT-UHFFFAOYSA-N 1 1 480.661 3.119 20 0 JGADMO Cc1ccccc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304567266 1067635372 /nfs/dbraw/zinc/63/53/72/1067635372.db2.gz GIYBVZGTALRINF-ZRCGQRJVSA-N 1 1 473.687 3.493 20 0 JGADMO Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304569535 1067636966 /nfs/dbraw/zinc/63/69/66/1067636966.db2.gz GGSUYGVYIMPVSY-OAQYLSRUSA-N 1 1 459.660 3.095 20 0 JGADMO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001304569979 1067637850 /nfs/dbraw/zinc/63/78/50/1067637850.db2.gz HDIMBHLGPLIFOQ-KTBRYMIGSA-N 1 1 459.660 3.307 20 0 JGADMO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304577561 1067645645 /nfs/dbraw/zinc/64/56/45/1067645645.db2.gz QUVCMQXTKRWKNF-RQNQAMLKSA-N 1 1 471.646 3.087 20 0 JGADMO Cc1cccnc1Cn1c(CCOc2ccccc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304582620 1067651999 /nfs/dbraw/zinc/65/19/99/1067651999.db2.gz MPRQAVUZLIMWNE-SZPZYZBQSA-N 1 1 464.614 3.197 20 0 JGADMO Cc1cccnc1Cn1c(CCOc2ccccc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304582620 1067652004 /nfs/dbraw/zinc/65/20/04/1067652004.db2.gz MPRQAVUZLIMWNE-SZPZYZBQSA-N 1 1 464.614 3.197 20 0 JGADMO CCOC(=O)c1csc(CC2CCN(C(=O)[C@H](C(CC)CC)[NH+]3CCOCC3)CC2)n1 ZINC001303115073 1067652753 /nfs/dbraw/zinc/65/27/53/1067652753.db2.gz FDFRKJKDUDPQEL-NRFANRHFSA-N 1 1 451.633 3.238 20 0 JGADMO CC1=CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001304586949 1067655662 /nfs/dbraw/zinc/65/56/62/1067655662.db2.gz QKVKULMYYUYKKL-HXUWFJFHSA-N 1 1 450.356 3.070 20 0 JGADMO CC(C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303119099 1067658075 /nfs/dbraw/zinc/65/80/75/1067658075.db2.gz HOTRJYVPOWQFND-AUSIDOKSSA-N 1 1 477.600 3.367 20 0 JGADMO CC(C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303119101 1067658107 /nfs/dbraw/zinc/65/81/07/1067658107.db2.gz HOTRJYVPOWQFND-WMZHIEFXSA-N 1 1 477.600 3.367 20 0 JGADMO CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304599105 1067662523 /nfs/dbraw/zinc/66/25/23/1067662523.db2.gz OQMYSIBUJOWRPX-JOCHJYFZSA-N 1 1 470.593 3.095 20 0 JGADMO Cc1cnn(C[C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CCO2)c1 ZINC001304600338 1067664056 /nfs/dbraw/zinc/66/40/56/1067664056.db2.gz BGFRJHRKNJQELU-FCHUYYIVSA-N 1 1 457.667 3.397 20 0 JGADMO O[C@H](COc1ccccc1)C[NH+]1CCN(c2nnc(C3CCC3)n2CCSC(F)(F)F)CC1 ZINC001303136345 1067677276 /nfs/dbraw/zinc/67/72/76/1067677276.db2.gz QHUYRILLXPWISZ-SFHVURJKSA-N 1 1 485.576 3.361 20 0 JGADMO CC(C)CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCOCC1 ZINC001303138023 1067679143 /nfs/dbraw/zinc/67/91/43/1067679143.db2.gz JDDRATASOXADRV-UHFFFAOYSA-N 1 1 467.618 3.050 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOCC1 ZINC001303144343 1067683316 /nfs/dbraw/zinc/68/33/16/1067683316.db2.gz ORPOJVASSROFKI-QGZVFWFLSA-N 1 1 498.853 3.435 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001303144190 1067683352 /nfs/dbraw/zinc/68/33/52/1067683352.db2.gz NJIHEYZBRAKRCW-AZUAARDMSA-N 1 1 466.552 3.280 20 0 JGADMO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(C)C ZINC001303146565 1067684782 /nfs/dbraw/zinc/68/47/82/1067684782.db2.gz KZYWLHMCWYXZIB-DEOSSOPVSA-N 1 1 482.673 3.390 20 0 JGADMO CC(C)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCCC(C)(C)C1)C1CCCC1 ZINC001303147138 1067685314 /nfs/dbraw/zinc/68/53/14/1067685314.db2.gz FXSUPPKVLDKJIS-IBGZPJMESA-N 1 1 468.712 3.415 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001303152729 1067689092 /nfs/dbraw/zinc/68/90/92/1067689092.db2.gz CKQFDZDZNAKYBL-OAQYLSRUSA-N 1 1 495.590 3.194 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303152853 1067689641 /nfs/dbraw/zinc/68/96/41/1067689641.db2.gz HCBBTOUVJVOEDV-MOPGFXCFSA-N 1 1 487.954 3.137 20 0 JGADMO Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)C2)n1 ZINC001304621128 1067690084 /nfs/dbraw/zinc/69/00/84/1067690084.db2.gz SJERWHJQCWRMPL-PMACEKPBSA-N 1 1 489.690 3.066 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCSCC1 ZINC001303153083 1067690174 /nfs/dbraw/zinc/69/01/74/1067690174.db2.gz OZEYENCFDWZAMU-AWEZNQCLSA-N 1 1 472.478 3.169 20 0 JGADMO Cc1csc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC001304626002 1067696559 /nfs/dbraw/zinc/69/65/59/1067696559.db2.gz KTJVLZPQJOBYFC-UHFFFAOYSA-N 1 1 464.599 3.360 20 0 JGADMO CC(C)CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC001303160803 1067696975 /nfs/dbraw/zinc/69/69/75/1067696975.db2.gz YDPOJVASFHYDPS-VQTJNVASSA-N 1 1 451.681 3.317 20 0 JGADMO CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001303161861 1067699212 /nfs/dbraw/zinc/69/92/12/1067699212.db2.gz JHJZOEBHMZLADT-FQEVSTJZSA-N 1 1 474.675 3.037 20 0 JGADMO Cc1csc(Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001304634573 1067703548 /nfs/dbraw/zinc/70/35/48/1067703548.db2.gz GOXTXEHBIZVNHK-HSZRJFAPSA-N 1 1 462.664 3.443 20 0 JGADMO Cc1csc(N2CCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001304634606 1067703658 /nfs/dbraw/zinc/70/36/58/1067703658.db2.gz FBQXQRVSTJDUDU-FQEVSTJZSA-N 1 1 461.680 3.069 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)C1 ZINC001303172158 1067704558 /nfs/dbraw/zinc/70/45/58/1067704558.db2.gz BAOBZXZJVHFGAQ-PMACEKPBSA-N 1 1 466.696 3.027 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001303172097 1067704570 /nfs/dbraw/zinc/70/45/70/1067704570.db2.gz AAHQKEIKDRIEPX-OAQYLSRUSA-N 1 1 467.662 3.403 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)C1 ZINC001303172353 1067704856 /nfs/dbraw/zinc/70/48/56/1067704856.db2.gz FCRGMLCLVQCNHY-TZIWHRDSSA-N 1 1 489.064 3.455 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccnc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001303172258 1067704882 /nfs/dbraw/zinc/70/48/82/1067704882.db2.gz DBCGIEGTVAOVPH-NRFANRHFSA-N 1 1 467.662 3.449 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001303172498 1067705377 /nfs/dbraw/zinc/70/53/77/1067705377.db2.gz HTRJVFIELAWMJI-NRFANRHFSA-N 1 1 482.677 3.186 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001303172409 1067705488 /nfs/dbraw/zinc/70/54/88/1067705488.db2.gz GCHIKLKCMWSNRZ-ZWKOTPCHSA-N 1 1 460.026 3.028 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001303172416 1067705615 /nfs/dbraw/zinc/70/56/15/1067705615.db2.gz GEPDTRYZHMLYJK-MOPGFXCFSA-N 1 1 465.639 3.322 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001303173501 1067707514 /nfs/dbraw/zinc/70/75/14/1067707514.db2.gz RKDOYWHLMGJKJL-SJORKVTESA-N 1 1 494.482 3.114 20 0 JGADMO CC(C)CN1C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@@H](C)C3)CCN2C1=O ZINC001303176496 1067709437 /nfs/dbraw/zinc/70/94/37/1067709437.db2.gz OYONUAVXTGLTBI-HKBOAZHASA-N 1 1 459.683 3.278 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303176684 1067709663 /nfs/dbraw/zinc/70/96/63/1067709663.db2.gz DWMYXGWZUKPPFO-IPMKNSEASA-N 1 1 491.624 3.327 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CC3CC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303179320 1067712800 /nfs/dbraw/zinc/71/28/00/1067712800.db2.gz UFVLHRJOWSEHDL-MOPGFXCFSA-N 1 1 470.584 3.103 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303179344 1067713178 /nfs/dbraw/zinc/71/31/78/1067713178.db2.gz UOECKIHEUFTNEV-AABGKKOBSA-N 1 1 472.600 3.223 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](COC(C)C)C2)C1 ZINC001303179444 1067713285 /nfs/dbraw/zinc/71/32/85/1067713285.db2.gz WBIRAULTEMACPG-BJKOFHAPSA-N 1 1 470.662 3.262 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303179459 1067713689 /nfs/dbraw/zinc/71/36/89/1067713689.db2.gz WFSZEVMIJMGIAX-XZOQPEGZSA-N 1 1 473.687 3.055 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1=O ZINC001303182612 1067714825 /nfs/dbraw/zinc/71/48/25/1067714825.db2.gz CMMALEUHNAUGMX-MSOLQXFVSA-N 1 1 493.027 3.151 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C1=O ZINC001303182612 1067714834 /nfs/dbraw/zinc/71/48/34/1067714834.db2.gz CMMALEUHNAUGMX-MSOLQXFVSA-N 1 1 493.027 3.151 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1=O ZINC001303182615 1067714876 /nfs/dbraw/zinc/71/48/76/1067714876.db2.gz CMMALEUHNAUGMX-ZWKOTPCHSA-N 1 1 493.027 3.151 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)[C@H](C)C1=O ZINC001303182615 1067714883 /nfs/dbraw/zinc/71/48/83/1067714883.db2.gz CMMALEUHNAUGMX-ZWKOTPCHSA-N 1 1 493.027 3.151 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCOC[C@@H]2C)cs1 ZINC001304648716 1067716498 /nfs/dbraw/zinc/71/64/98/1067716498.db2.gz OOTILHGGZGORKM-ICSRJNTNSA-N 1 1 476.691 3.101 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCOC[C@H]2C)cs1 ZINC001304648717 1067716522 /nfs/dbraw/zinc/71/65/22/1067716522.db2.gz OOTILHGGZGORKM-QUCCMNQESA-N 1 1 476.691 3.101 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+](C)Cc2ccccc2)[C@H](C)C1=O ZINC001303188700 1067723091 /nfs/dbraw/zinc/72/30/91/1067723091.db2.gz LBSQASQHKYBZPB-OAQYLSRUSA-N 1 1 461.614 3.165 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cs1 ZINC001304656727 1067725133 /nfs/dbraw/zinc/72/51/33/1067725133.db2.gz OTJOATBYAQYANW-QFIPXVFZSA-N 1 1 476.691 3.244 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)cs1 ZINC001304657468 1067725948 /nfs/dbraw/zinc/72/59/48/1067725948.db2.gz XYBAGCDZOYCFPK-SIKLNZKXSA-N 1 1 476.691 3.242 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)cs1 ZINC001304657468 1067725953 /nfs/dbraw/zinc/72/59/53/1067725953.db2.gz XYBAGCDZOYCFPK-SIKLNZKXSA-N 1 1 476.691 3.242 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)[C@H](C)C1=O ZINC001303192606 1067726987 /nfs/dbraw/zinc/72/69/87/1067726987.db2.gz WRROGCXAQWQAAQ-OFNKIYASSA-N 1 1 486.636 3.484 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1=O ZINC001303195423 1067728329 /nfs/dbraw/zinc/72/83/29/1067728329.db2.gz HLXNBCVPOPINRZ-UHFFFAOYSA-N 1 1 458.676 3.357 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)cs1 ZINC001304661203 1067728780 /nfs/dbraw/zinc/72/87/80/1067728780.db2.gz CFUZVPLATWNFOT-RUZDIDTESA-N 1 1 481.670 3.224 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C)C1=O ZINC001303195696 1067728720 /nfs/dbraw/zinc/72/87/20/1067728720.db2.gz JOZWETWENSBQEH-RPWUZVMVSA-N 1 1 496.700 3.257 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001303196219 1067729948 /nfs/dbraw/zinc/72/99/48/1067729948.db2.gz LHWYJBWNWNJTLY-JOCHJYFZSA-N 1 1 470.637 3.433 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H]2C)[C@H](C)C1=O ZINC001303196349 1067730299 /nfs/dbraw/zinc/73/02/99/1067730299.db2.gz IJBPSWVHMWSFSS-WOJBJXKFSA-N 1 1 456.610 3.185 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCC(=O)NC(C)C)cs1 ZINC001304665269 1067731829 /nfs/dbraw/zinc/73/18/29/1067731829.db2.gz DNIWVJNKLOSETC-UHFFFAOYSA-N 1 1 461.680 3.105 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cs1 ZINC001304665740 1067732537 /nfs/dbraw/zinc/73/25/37/1067732537.db2.gz BPXWYSKURUSYGA-IBGZPJMESA-N 1 1 495.491 3.480 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1=O ZINC001303197853 1067732635 /nfs/dbraw/zinc/73/26/35/1067732635.db2.gz ZPSYOWLUWPVKOP-DHIUTWEWSA-N 1 1 489.668 3.478 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)cs1 ZINC001304668342 1067736224 /nfs/dbraw/zinc/73/62/24/1067736224.db2.gz CRNCEXOQWSXMPI-FQEVSTJZSA-N 1 1 485.702 3.274 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC001303201654 1067737222 /nfs/dbraw/zinc/73/72/22/1067737222.db2.gz NSQZPNMIFSHPIL-FQEVSTJZSA-N 1 1 463.026 3.487 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2ccco2)N(C)C)cs1 ZINC001304669340 1067737344 /nfs/dbraw/zinc/73/73/44/1067737344.db2.gz HEARFEOXLOEYPN-FQEVSTJZSA-N 1 1 457.648 3.308 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2nc3ccccc3s2)C1 ZINC001303201870 1067737880 /nfs/dbraw/zinc/73/78/80/1067737880.db2.gz QUNFAZBVESWAEW-GOSISDBHSA-N 1 1 485.658 3.019 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+](C)Cc2ccccc2)cs1 ZINC001304669698 1067738183 /nfs/dbraw/zinc/73/81/83/1067738183.db2.gz ILNFXKSAXLRUOC-FQEVSTJZSA-N 1 1 495.697 3.459 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(c4ccc(O)cc4)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304670347 1067739771 /nfs/dbraw/zinc/73/97/71/1067739771.db2.gz OLJZEZGTXKQEBP-UHFFFAOYSA-N 1 1 455.632 3.006 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccnc3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001303204053 1067740106 /nfs/dbraw/zinc/74/01/06/1067740106.db2.gz FELVMDGYKCUGNV-QFIPXVFZSA-N 1 1 499.566 3.050 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCN(Cc4ccsc4)CC3)nnc2C(C)(C)C)C1 ZINC001303203945 1067740288 /nfs/dbraw/zinc/74/02/88/1067740288.db2.gz IBBPRLZJNUKNBB-NRFANRHFSA-N 1 1 460.692 3.316 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC(F)(F)C2)C1 ZINC001303204223 1067740486 /nfs/dbraw/zinc/74/04/86/1067740486.db2.gz LPKGFLQEJKXHHG-QGZVFWFLSA-N 1 1 453.509 3.198 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N(C)Cc3ccc(F)cc3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303204219 1067740826 /nfs/dbraw/zinc/74/08/26/1067740826.db2.gz LPARCQSCNDRJAM-JYFHCDHNSA-N 1 1 489.636 3.451 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@H]2COc3ccccc3O2)C1 ZINC001303204371 1067741168 /nfs/dbraw/zinc/74/11/68/1067741168.db2.gz IJZBERVJDDFHIC-SFTDATJTSA-N 1 1 471.646 3.500 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001303204868 1067741767 /nfs/dbraw/zinc/74/17/67/1067741767.db2.gz MTBYOZYNBISGCE-NRFANRHFSA-N 1 1 498.031 3.086 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCOCC2)C1 ZINC001303205037 1067742362 /nfs/dbraw/zinc/74/23/62/1067742362.db2.gz PRNNOQXWOUUSGD-IBGZPJMESA-N 1 1 466.051 3.417 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)cs1 ZINC001304673369 1067743155 /nfs/dbraw/zinc/74/31/55/1067743155.db2.gz SWTHHUNTXVRVKT-NRFANRHFSA-N 1 1 481.670 3.224 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303206935 1067744793 /nfs/dbraw/zinc/74/47/93/1067744793.db2.gz WWNQIFIKMMMOID-SFTDATJTSA-N 1 1 499.660 3.048 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CCC2(F)CCC2)cs1 ZINC001304674496 1067744880 /nfs/dbraw/zinc/74/48/80/1067744880.db2.gz QEOJTCAYYCQHGS-UHFFFAOYSA-N 1 1 450.628 3.463 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CCC(F)(F)F)C1 ZINC001303207581 1067745628 /nfs/dbraw/zinc/74/56/28/1067745628.db2.gz ZVNKSUDOJFLZIF-SFHVURJKSA-N 1 1 483.535 3.462 20 0 JGADMO CC(C)CN(c1nnc(CN2CCCC2=O)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC001303208130 1067746149 /nfs/dbraw/zinc/74/61/49/1067746149.db2.gz WYLZEZPEHMFUQM-QFIPXVFZSA-N 1 1 460.667 3.162 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001304676633 1067748743 /nfs/dbraw/zinc/74/87/43/1067748743.db2.gz ZWSOMWZXJKBUSG-SFTDATJTSA-N 1 1 476.691 3.242 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001303212198 1067749587 /nfs/dbraw/zinc/74/95/87/1067749587.db2.gz APPOCLHKTLSAMA-RTWAWAEBSA-N 1 1 469.634 3.375 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCC[N@@H+](C)Cc2ccccc2)cs1 ZINC001304677586 1067749695 /nfs/dbraw/zinc/74/96/95/1067749695.db2.gz UNCKHVSOTXXALR-GCJKJVERSA-N 1 1 454.644 3.363 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001303213685 1067751026 /nfs/dbraw/zinc/75/10/26/1067751026.db2.gz TVSHQSJMJODEDP-UHFFFAOYSA-N 1 1 488.608 3.110 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001303213685 1067751029 /nfs/dbraw/zinc/75/10/29/1067751029.db2.gz TVSHQSJMJODEDP-UHFFFAOYSA-N 1 1 488.608 3.110 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(C3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303215274 1067752423 /nfs/dbraw/zinc/75/24/23/1067752423.db2.gz HYPYLQOHOCMARX-UHFFFAOYSA-N 1 1 489.709 3.124 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303216023 1067753032 /nfs/dbraw/zinc/75/30/32/1067753032.db2.gz OCEFCPLZNQBFFQ-UHFFFAOYSA-N 1 1 470.593 3.185 20 0 JGADMO Cc1nc(CCn2c(Cc3ccsc3)nnc2N2CC[NH+](CCOC(C)C)CC2)cs1 ZINC001304685622 1067757976 /nfs/dbraw/zinc/75/79/76/1067757976.db2.gz MDECBOHRPSLMPE-UHFFFAOYSA-N 1 1 460.673 3.485 20 0 JGADMO CC(C)COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303221124 1067758537 /nfs/dbraw/zinc/75/85/37/1067758537.db2.gz GOKFUHGEPRBHJU-PZJWPPBQSA-N 1 1 454.619 3.172 20 0 JGADMO CC(C)COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303221507 1067758552 /nfs/dbraw/zinc/75/85/52/1067758552.db2.gz GOKFUHGEPRBHJU-TZIWHRDSSA-N 1 1 454.619 3.172 20 0 JGADMO Cc1nc(CN2CCCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)CC2)no1 ZINC001304687241 1067759760 /nfs/dbraw/zinc/75/97/60/1067759760.db2.gz IPLGBWALHXFYHQ-NRFANRHFSA-N 1 1 472.682 3.347 20 0 JGADMO CC(C)COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001303234789 1067767013 /nfs/dbraw/zinc/76/70/13/1067767013.db2.gz GUTIEUCTVYPVHI-UYAOXDASSA-N 1 1 460.648 3.237 20 0 JGADMO CC(C)COCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001303237018 1067768554 /nfs/dbraw/zinc/76/85/54/1067768554.db2.gz FURFGMRLGHKFCI-HSZRJFAPSA-N 1 1 476.710 3.230 20 0 JGADMO CC(C)CSCCCn1c(Cc2ccncc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303243287 1067771573 /nfs/dbraw/zinc/77/15/73/1067771573.db2.gz GIGAKUOWVWTDAG-XMMPIXPASA-N 1 1 458.676 3.344 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)CC[C@@H]2C)cc1F ZINC001304701434 1067772295 /nfs/dbraw/zinc/77/22/95/1067772295.db2.gz IRPPGYOICPOFKK-IKGGRYGDSA-N 1 1 489.621 3.195 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)CC2)cn1 ZINC001304701452 1067772681 /nfs/dbraw/zinc/77/26/81/1067772681.db2.gz JAQGXUKWUOCMRL-UHFFFAOYSA-N 1 1 462.524 3.098 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H](C)CC(N)=O)cn1 ZINC001304701785 1067773063 /nfs/dbraw/zinc/77/30/63/1067773063.db2.gz NLOBKPXAFAXONK-CQSZACIVSA-N 1 1 482.951 3.375 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)cc1F ZINC001304702542 1067774081 /nfs/dbraw/zinc/77/40/81/1067774081.db2.gz ZOPIVZCNVUXDMT-MRXNPFEDSA-N 1 1 453.566 3.392 20 0 JGADMO Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001304702561 1067774588 /nfs/dbraw/zinc/77/45/88/1067774588.db2.gz ZZSYMCJAESDJNA-UHFFFAOYSA-N 1 1 450.934 3.252 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1C(C)(C)C ZINC001304702931 1067775400 /nfs/dbraw/zinc/77/54/00/1067775400.db2.gz AJMAUTOAZPCEOS-HXUWFJFHSA-N 1 1 451.623 3.456 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O ZINC001304703331 1067775649 /nfs/dbraw/zinc/77/56/49/1067775649.db2.gz DADHVOYDHJIDDT-UHFFFAOYSA-N 1 1 495.447 3.174 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001304705377 1067778086 /nfs/dbraw/zinc/77/80/86/1067778086.db2.gz TWZISQCKLVFFIU-GOSISDBHSA-N 1 1 494.625 3.321 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001304705433 1067778128 /nfs/dbraw/zinc/77/81/28/1067778128.db2.gz QCELCUXFRVMQAW-NRFANRHFSA-N 1 1 490.381 3.144 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001304705585 1067778134 /nfs/dbraw/zinc/77/81/34/1067778134.db2.gz RKSKJUDELBHCOX-LJQANCHMSA-N 1 1 463.007 3.207 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC001304705453 1067778177 /nfs/dbraw/zinc/77/81/77/1067778177.db2.gz YMOCLWIPRSEQPL-LJQANCHMSA-N 1 1 474.034 3.398 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001304706033 1067778547 /nfs/dbraw/zinc/77/85/47/1067778547.db2.gz XVHLEGAVKQZIEU-CVEARBPZSA-N 1 1 465.023 3.452 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001303254898 1067780326 /nfs/dbraw/zinc/78/03/26/1067780326.db2.gz OOKWWEWZMFYWCH-FQEVSTJZSA-N 1 1 490.718 3.230 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001304709908 1067780515 /nfs/dbraw/zinc/78/05/15/1067780515.db2.gz ALPOOLXMOFVGOZ-QUCCMNQESA-N 1 1 480.617 3.209 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 ZINC001304709580 1067780566 /nfs/dbraw/zinc/78/05/66/1067780566.db2.gz RGMNNGAVZLMLHG-HXUWFJFHSA-N 1 1 495.632 3.414 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Cl ZINC001304709607 1067780715 /nfs/dbraw/zinc/78/07/15/1067780715.db2.gz RVXGPRRTLZNLJV-SFHVURJKSA-N 1 1 463.007 3.065 20 0 JGADMO CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001303255116 1067780753 /nfs/dbraw/zinc/78/07/53/1067780753.db2.gz WCFSFQGFJINVJI-QFIPXVFZSA-N 1 1 487.718 3.435 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001303255116 1067780760 /nfs/dbraw/zinc/78/07/60/1067780760.db2.gz WCFSFQGFJINVJI-QFIPXVFZSA-N 1 1 487.718 3.435 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C ZINC001304710621 1067781395 /nfs/dbraw/zinc/78/13/95/1067781395.db2.gz LKKBCUHQYXHUJM-GOSISDBHSA-N 1 1 461.611 3.274 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001304710917 1067781789 /nfs/dbraw/zinc/78/17/89/1067781789.db2.gz MZCUTSSMVCHTTR-MSOLQXFVSA-N 1 1 495.575 3.273 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001304711088 1067782282 /nfs/dbraw/zinc/78/22/82/1067782282.db2.gz PJLNMDZYLAADHS-HZPDHXFCSA-N 1 1 474.034 3.397 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001303255785 1067782251 /nfs/dbraw/zinc/78/22/51/1067782251.db2.gz BXYHXODARGMIBU-QFIPXVFZSA-N 1 1 459.660 3.469 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)CC1 ZINC001303256604 1067783222 /nfs/dbraw/zinc/78/32/22/1067783222.db2.gz MXDAXSLMGUQBIU-UHFFFAOYSA-N 1 1 483.082 3.094 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001304712104 1067783314 /nfs/dbraw/zinc/78/33/14/1067783314.db2.gz HOKXTWQFDSDYML-OAQYLSRUSA-N 1 1 487.052 3.359 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001304712103 1067783356 /nfs/dbraw/zinc/78/33/56/1067783356.db2.gz HOKXTWQFDSDYML-NRFANRHFSA-N 1 1 487.052 3.359 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(C)(=O)=O)CC1 ZINC001303257036 1067784135 /nfs/dbraw/zinc/78/41/35/1067784135.db2.gz QMQDDEHCISCAIY-UHFFFAOYSA-N 1 1 472.030 3.339 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001303257914 1067784487 /nfs/dbraw/zinc/78/44/87/1067784487.db2.gz JLDNNTKEBXADJL-MOPGFXCFSA-N 1 1 473.634 3.172 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001304713475 1067784679 /nfs/dbraw/zinc/78/46/79/1067784679.db2.gz XAWXQFANLOLMSC-AWEZNQCLSA-N 1 1 462.396 3.255 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CCN(C)CC(F)(F)F)CC1 ZINC001303257832 1067784741 /nfs/dbraw/zinc/78/47/41/1067784741.db2.gz ZUZBWQHGWNRJMK-UHFFFAOYSA-N 1 1 455.573 3.334 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303259010 1067785520 /nfs/dbraw/zinc/78/55/20/1067785520.db2.gz QFXJMCMIFALSOY-UHFFFAOYSA-N 1 1 467.584 3.315 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001303259327 1067785920 /nfs/dbraw/zinc/78/59/20/1067785920.db2.gz UFSOGTINRLQEMK-UHFFFAOYSA-N 1 1 473.687 3.433 20 0 JGADMO Cc1nccnc1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001304716091 1067787629 /nfs/dbraw/zinc/78/76/29/1067787629.db2.gz XHUSQHYOWLKLEF-UHFFFAOYSA-N 1 1 463.630 3.409 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001303261423 1067787638 /nfs/dbraw/zinc/78/76/38/1067787638.db2.gz HVHRBVGSJRWPIV-HNNXBMFYSA-N 1 1 496.479 3.055 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2COCCO2)CC1 ZINC001303261664 1067788156 /nfs/dbraw/zinc/78/81/56/1067788156.db2.gz RDODGLGJTZWHPW-YPAWHYETSA-N 1 1 463.667 3.169 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001303261686 1067788587 /nfs/dbraw/zinc/78/85/87/1067788587.db2.gz RQTGWOMBJXFITF-QFIPXVFZSA-N 1 1 499.685 3.326 20 0 JGADMO Cc1[nH+]ccn1CCn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304716631 1067788751 /nfs/dbraw/zinc/78/87/51/1067788751.db2.gz VZXAVBDIVKIRSI-QHCPKHFHSA-N 1 1 460.529 3.438 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001303261878 1067789132 /nfs/dbraw/zinc/78/91/32/1067789132.db2.gz ZXIAWRDAVWVNHS-HXUWFJFHSA-N 1 1 498.676 3.034 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001303262928 1067790229 /nfs/dbraw/zinc/79/02/29/1067790229.db2.gz JAXHTPXAJQHPCQ-UHFFFAOYSA-N 1 1 461.614 3.469 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc3cccnc32)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001303263584 1067790803 /nfs/dbraw/zinc/79/08/03/1067790803.db2.gz PWEUKTPKBLWRJQ-UHFFFAOYSA-N 1 1 499.685 3.084 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001303264515 1067792058 /nfs/dbraw/zinc/79/20/58/1067792058.db2.gz CWKLKLZWDDSKPY-INIZCTEOSA-N 1 1 455.529 3.138 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001303265408 1067792370 /nfs/dbraw/zinc/79/23/70/1067792370.db2.gz IKWBJHFFIHBFMI-GOSISDBHSA-N 1 1 450.628 3.006 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001303265417 1067792537 /nfs/dbraw/zinc/79/25/37/1067792537.db2.gz INSBPLDRZRUJQF-QFIPXVFZSA-N 1 1 475.726 3.120 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001303265972 1067792688 /nfs/dbraw/zinc/79/26/88/1067792688.db2.gz UXRLXIJLYMZMMV-UHFFFAOYSA-N 1 1 453.635 3.299 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001303265795 1067792858 /nfs/dbraw/zinc/79/28/58/1067792858.db2.gz LACDXYDKTCOVEF-LEWJYISDSA-N 1 1 494.681 3.322 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001303266317 1067793253 /nfs/dbraw/zinc/79/32/53/1067793253.db2.gz ZIPHVKPUVWVQEY-UHFFFAOYSA-N 1 1 485.681 3.010 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001303266300 1067793344 /nfs/dbraw/zinc/79/33/44/1067793344.db2.gz YRIGUICHZFYTKC-VQTJNVASSA-N 1 1 479.000 3.330 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001303266410 1067793591 /nfs/dbraw/zinc/79/35/91/1067793591.db2.gz PZGRMDVWWRWJTL-UXHICEINSA-N 1 1 461.680 3.242 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001303266475 1067793600 /nfs/dbraw/zinc/79/36/00/1067793600.db2.gz QRWLTFXSEFRVSH-RTBURBONSA-N 1 1 450.628 3.353 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001303266594 1067793857 /nfs/dbraw/zinc/79/38/57/1067793857.db2.gz RRLFUKFBKBGXDM-NRFANRHFSA-N 1 1 454.619 3.367 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(-c2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304723275 1067794641 /nfs/dbraw/zinc/79/46/41/1067794641.db2.gz MEODMUMJGAGFJR-CALCHBBNSA-N 1 1 455.582 3.028 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(-c2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304723275 1067794653 /nfs/dbraw/zinc/79/46/53/1067794653.db2.gz MEODMUMJGAGFJR-CALCHBBNSA-N 1 1 455.582 3.028 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001303267700 1067794760 /nfs/dbraw/zinc/79/47/60/1067794760.db2.gz FYVSAKCGNPAJCL-OAQYLSRUSA-N 1 1 456.610 3.330 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001303268176 1067795649 /nfs/dbraw/zinc/79/56/49/1067795649.db2.gz NKLYPCWEWLEZIR-UHFFFAOYSA-N 1 1 462.524 3.230 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001303268159 1067795817 /nfs/dbraw/zinc/79/58/17/1067795817.db2.gz BUXNRDLDNGQHOS-FQEVSTJZSA-N 1 1 470.593 3.093 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001303268154 1067795941 /nfs/dbraw/zinc/79/59/41/1067795941.db2.gz BUTPVROIVUICGU-NRFANRHFSA-N 1 1 459.660 3.102 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001303268579 1067796167 /nfs/dbraw/zinc/79/61/67/1067796167.db2.gz QOZHBXFDKBGVBY-HXUWFJFHSA-N 1 1 468.675 3.334 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001303268505 1067796185 /nfs/dbraw/zinc/79/61/85/1067796185.db2.gz IEOPEWUUCFTVBR-DFIYOIEZSA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001303269479 1067798442 /nfs/dbraw/zinc/79/84/42/1067798442.db2.gz ZOZQYQRDHRVMOA-PMACEKPBSA-N 1 1 491.681 3.172 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001303270065 1067798808 /nfs/dbraw/zinc/79/88/08/1067798808.db2.gz FZTKZHAVBKZOBY-NRFANRHFSA-N 1 1 482.398 3.183 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001303271280 1067799908 /nfs/dbraw/zinc/79/99/08/1067799908.db2.gz PNBBSEQZDHBCHR-UHFFFAOYSA-N 1 1 483.436 3.188 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001303271059 1067800000 /nfs/dbraw/zinc/80/00/00/1067800000.db2.gz IXVGFDTTWXXJKB-UHFFFAOYSA-N 1 1 455.651 3.289 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275110 1067802403 /nfs/dbraw/zinc/80/24/03/1067802403.db2.gz SLCPFEOOXBCOQH-IRLDBZIGSA-N 1 1 454.619 3.349 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC=C(Br)C1 ZINC001303274883 1067802416 /nfs/dbraw/zinc/80/24/16/1067802416.db2.gz NALWDGKYYACXNU-UHFFFAOYSA-N 1 1 472.391 3.423 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303276069 1067803284 /nfs/dbraw/zinc/80/32/84/1067803284.db2.gz ITWYHTSZFXMVMG-OAQYLSRUSA-N 1 1 486.617 3.188 20 0 JGADMO Cc1cc(C)n(-c2ccccc2Cn2c(C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC001304731426 1067804287 /nfs/dbraw/zinc/80/42/87/1067804287.db2.gz JDCNCOOBTVZWHS-UHFFFAOYSA-N 1 1 451.619 3.232 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001303276981 1067804735 /nfs/dbraw/zinc/80/47/35/1067804735.db2.gz QFCAQFNFPVXRJA-IBGZPJMESA-N 1 1 481.519 3.479 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001303277900 1067805262 /nfs/dbraw/zinc/80/52/62/1067805262.db2.gz WWXLMFUNEKPMIK-UHFFFAOYSA-N 1 1 465.646 3.316 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303278254 1067805870 /nfs/dbraw/zinc/80/58/70/1067805870.db2.gz ZZFBGENMNSAUER-PMACEKPBSA-N 1 1 464.655 3.348 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001303278420 1067806228 /nfs/dbraw/zinc/80/62/28/1067806228.db2.gz DBGVNYXGCFOLTK-NRFANRHFSA-N 1 1 477.675 3.118 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001303278648 1067807148 /nfs/dbraw/zinc/80/71/48/1067807148.db2.gz MAZCBCZESGZYRX-GOSISDBHSA-N 1 1 475.037 3.346 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F ZINC001303278965 1067808391 /nfs/dbraw/zinc/80/83/91/1067808391.db2.gz WWTONPARFVEIRT-VQIMIIECSA-N 1 1 468.597 3.030 20 0 JGADMO CC(C)N(Cc1ccco1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303285270 1067812341 /nfs/dbraw/zinc/81/23/41/1067812341.db2.gz RMQOMCKFLXNHBL-CEYNDMKZSA-N 1 1 488.633 3.123 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001304737914 1067812370 /nfs/dbraw/zinc/81/23/70/1067812370.db2.gz TUDCEPUSHGAOAR-NQIIRXRSSA-N 1 1 469.609 3.445 20 0 JGADMO CC(C)N(Cc1ccco1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303285271 1067812493 /nfs/dbraw/zinc/81/24/93/1067812493.db2.gz RMQOMCKFLXNHBL-HHJKRLRDSA-N 1 1 488.633 3.123 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304739463 1067813205 /nfs/dbraw/zinc/81/32/05/1067813205.db2.gz DHMMQRVVBUVHGO-BGYRXZFFSA-N 1 1 492.672 3.243 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCc2ccccc2F)n1 ZINC001304741591 1067818021 /nfs/dbraw/zinc/81/80/21/1067818021.db2.gz SFVIVXCZYVEKIR-UHFFFAOYSA-N 1 1 483.636 3.316 20 0 JGADMO CC(C)[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCN(CCc2ccccc2)CC1)C(C)C ZINC001303299684 1067824180 /nfs/dbraw/zinc/82/41/80/1067824180.db2.gz XTRSQOCDRUWZEC-UHFFFAOYSA-N 1 1 464.662 3.162 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303401 1067828840 /nfs/dbraw/zinc/82/88/40/1067828840.db2.gz GOGBRSDBMCCRBI-RTWAWAEBSA-N 1 1 476.666 3.350 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001304749529 1067829177 /nfs/dbraw/zinc/82/91/77/1067829177.db2.gz LMMFVLHDFIDXPT-NZQKXSOJSA-N 1 1 465.646 3.259 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(N3CCN(CC(=O)NCc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303304272 1067830543 /nfs/dbraw/zinc/83/05/43/1067830543.db2.gz FQHJMEXMWVQTRM-XMMPIXPASA-N 1 1 495.716 3.134 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)C2CC2)CC1 ZINC001303304146 1067830709 /nfs/dbraw/zinc/83/07/09/1067830709.db2.gz CYHNWTRDAUKYHA-OAQYLSRUSA-N 1 1 465.440 3.128 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304298 1067831078 /nfs/dbraw/zinc/83/10/78/1067831078.db2.gz NCGYNCQEWZRRRJ-RTBURBONSA-N 1 1 481.613 3.215 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304297 1067831296 /nfs/dbraw/zinc/83/12/96/1067831296.db2.gz NCGYNCQEWZRRRJ-RBUKOAKNSA-N 1 1 481.613 3.215 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001303305051 1067832668 /nfs/dbraw/zinc/83/26/68/1067832668.db2.gz QTHKBSKWGVWOLD-QUCCMNQESA-N 1 1 459.038 3.310 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303305453 1067833637 /nfs/dbraw/zinc/83/36/37/1067833637.db2.gz QMOCJTKPTWLLJW-RBUKOAKNSA-N 1 1 486.583 3.145 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001303305946 1067834512 /nfs/dbraw/zinc/83/45/12/1067834512.db2.gz WZLDPPNSKQIMDQ-HXUWFJFHSA-N 1 1 455.651 3.099 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001303306142 1067835075 /nfs/dbraw/zinc/83/50/75/1067835075.db2.gz ZDENWPCQSWGQQX-PMACEKPBSA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2COCCO2)CC1 ZINC001303307672 1067835769 /nfs/dbraw/zinc/83/57/69/1067835769.db2.gz HKDXQIRTRKQVIE-KRWDZBQOSA-N 1 1 482.398 3.183 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCCN2CCOCC2)CC1 ZINC001303307891 1067836086 /nfs/dbraw/zinc/83/60/86/1067836086.db2.gz MBRUHUIPEIQNLJ-UHFFFAOYSA-N 1 1 491.478 3.350 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001303308240 1067836603 /nfs/dbraw/zinc/83/66/03/1067836603.db2.gz UTESFNHRXOBPND-GOSISDBHSA-N 1 1 466.051 3.344 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303310968 1067839963 /nfs/dbraw/zinc/83/99/63/1067839963.db2.gz OWMINNFVZIQPCC-FQEVSTJZSA-N 1 1 475.037 3.346 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001303311068 1067840175 /nfs/dbraw/zinc/84/01/75/1067840175.db2.gz VHQSIZZUAPRYMX-IBGZPJMESA-N 1 1 450.628 3.007 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](n4nc(C)cc4C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304757179 1067841592 /nfs/dbraw/zinc/84/15/92/1067841592.db2.gz ZEOLDTKIWPYZEN-JOCHJYFZSA-N 1 1 453.639 3.135 20 0 JGADMO CC(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303316821 1067844408 /nfs/dbraw/zinc/84/44/08/1067844408.db2.gz KGVHZAUKCFGZFQ-OAQYLSRUSA-N 1 1 499.660 3.242 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001304759381 1067844743 /nfs/dbraw/zinc/84/47/43/1067844743.db2.gz KYNRQTFRKKEIDL-SANMLTNESA-N 1 1 483.636 3.398 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2([S@](C)=O)CC2)CC1 ZINC001303317143 1067845450 /nfs/dbraw/zinc/84/54/50/1067845450.db2.gz RGRAXHKXNZKFKN-PMERELPUSA-N 1 1 496.475 3.061 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)CC2)C1 ZINC001303317716 1067846884 /nfs/dbraw/zinc/84/68/84/1067846884.db2.gz BNNLGKVMSFFNNR-GOTSBHOMSA-N 1 1 476.710 3.156 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2nnc(C(C)(C)C)s2)n1 ZINC001304761290 1067847990 /nfs/dbraw/zinc/84/79/90/1067847990.db2.gz ZEKJSGJMIIBNRZ-UHFFFAOYSA-N 1 1 471.679 3.258 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCn4cc(C(F)(F)F)nc4C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304762863 1067850448 /nfs/dbraw/zinc/85/04/48/1067850448.db2.gz FNFFWQVUEXBRTE-UHFFFAOYSA-N 1 1 479.555 3.106 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCC(C)(C)C)CC2)CC1 ZINC001303318732 1067850540 /nfs/dbraw/zinc/85/05/40/1067850540.db2.gz ZQHCYBBZPYOKHD-OAQYLSRUSA-N 1 1 459.683 3.050 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CC(C)(C)C(F)(F)F)n1 ZINC001304763844 1067851862 /nfs/dbraw/zinc/85/18/62/1067851862.db2.gz KLNZNILYWIGAHH-GOSISDBHSA-N 1 1 469.556 3.029 20 0 JGADMO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)C2)n1 ZINC001304765940 1067856205 /nfs/dbraw/zinc/85/62/05/1067856205.db2.gz IMVQTFQOSDDCRN-NFBKMPQASA-N 1 1 499.708 3.196 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCc1nccs1 ZINC001303328345 1067856543 /nfs/dbraw/zinc/85/65/43/1067856543.db2.gz PDFMBEIHGNLCGR-FQEVSTJZSA-N 1 1 467.643 3.216 20 0 JGADMO Cc1cc(C)n(CC2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCOCC3)CC2)n1 ZINC001304767857 1067858139 /nfs/dbraw/zinc/85/81/39/1067858139.db2.gz OPUUKSMZZJVYLI-UHFFFAOYSA-N 1 1 457.667 3.319 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303329772 1067858274 /nfs/dbraw/zinc/85/82/74/1067858274.db2.gz JSWFQHWTJAQBEO-CALCHBBNSA-N 1 1 478.588 3.219 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303329772 1067858281 /nfs/dbraw/zinc/85/82/81/1067858281.db2.gz JSWFQHWTJAQBEO-CALCHBBNSA-N 1 1 478.588 3.219 20 0 JGADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)CCO2)n1 ZINC001304767959 1067858677 /nfs/dbraw/zinc/85/86/77/1067858677.db2.gz BQGYLMXIHIXSFL-NHCUHLMSSA-N 1 1 457.667 3.415 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@H](C)c2ccccc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303331114 1067860878 /nfs/dbraw/zinc/86/08/78/1067860878.db2.gz VRFZYDNHWBKUMW-PCCBWWKXSA-N 1 1 456.635 3.156 20 0 JGADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccccc4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001304771081 1067862673 /nfs/dbraw/zinc/86/26/73/1067862673.db2.gz ZRIPIYMWDRFRPZ-QHCPKHFHSA-N 1 1 451.619 3.394 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cc2ccccc2s1 ZINC001303341770 1067870095 /nfs/dbraw/zinc/87/00/95/1067870095.db2.gz FEMXERVZRIYYLS-HDICACEKSA-N 1 1 470.643 3.225 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cc2ccccc2s1 ZINC001303341770 1067870113 /nfs/dbraw/zinc/87/01/13/1067870113.db2.gz FEMXERVZRIYYLS-HDICACEKSA-N 1 1 470.643 3.225 20 0 JGADMO Cc1nnc(CCCn2c(CC(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)s1 ZINC001304777806 1067872401 /nfs/dbraw/zinc/87/24/01/1067872401.db2.gz WDIKGMNYHYHNHL-UHFFFAOYSA-N 1 1 474.723 3.264 20 0 JGADMO CC(C)NC(=O)c1nnc(N(CC2CC2)CC2CCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001303347987 1067875443 /nfs/dbraw/zinc/87/54/43/1067875443.db2.gz VTHZFJCGCPWOGG-OALUTQOASA-N 1 1 460.667 3.321 20 0 JGADMO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303348020 1067875473 /nfs/dbraw/zinc/87/54/73/1067875473.db2.gz WPTRXRYJTJDZLF-GOSISDBHSA-N 1 1 460.648 3.148 20 0 JGADMO Cc1nnc(CCn2c(Cc3ccccc3C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC001304781057 1067876423 /nfs/dbraw/zinc/87/64/23/1067876423.db2.gz ZMKQAIOJORDYGX-UHFFFAOYSA-N 1 1 483.686 3.375 20 0 JGADMO Cc1nnc(CCn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001304784961 1067879859 /nfs/dbraw/zinc/87/98/59/1067879859.db2.gz YJNFGXNGFGXHNJ-HSZRJFAPSA-N 1 1 477.679 3.032 20 0 JGADMO Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304789037 1067882079 /nfs/dbraw/zinc/88/20/79/1067882079.db2.gz SNIRAMGRHFOZAD-MOPGFXCFSA-N 1 1 456.591 3.241 20 0 JGADMO Cc1nnc(N(C)Cc2nc([C@@H](C)OCC(C)C)no2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304795590 1067883887 /nfs/dbraw/zinc/88/38/87/1067883887.db2.gz HOABHXYZRLZRTO-FGTMMUONSA-N 1 1 463.627 3.227 20 0 JGADMO Cc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001304795879 1067883976 /nfs/dbraw/zinc/88/39/76/1067883976.db2.gz MDPZAPFKIQUJPI-HXUWFJFHSA-N 1 1 455.550 3.450 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1Cc1nccs1 ZINC001303360314 1067888305 /nfs/dbraw/zinc/88/83/05/1067888305.db2.gz NLPROCQDMYGIPZ-SFHVURJKSA-N 1 1 453.616 3.022 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001303363045 1067890159 /nfs/dbraw/zinc/89/01/59/1067890159.db2.gz CKEVVPRYDJGOHT-MJGOQNOKSA-N 1 1 452.594 3.408 20 0 JGADMO Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001304815612 1067890512 /nfs/dbraw/zinc/89/05/12/1067890512.db2.gz FHCWIFDVVVYPKV-YADARESESA-N 1 1 498.672 3.331 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303363777 1067890881 /nfs/dbraw/zinc/89/08/81/1067890881.db2.gz SKPLDXZWPAUSTL-QHCPKHFHSA-N 1 1 468.646 3.191 20 0 JGADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001304822945 1067893168 /nfs/dbraw/zinc/89/31/68/1067893168.db2.gz TYVYBSWIUHIDRP-GHTZIAJQSA-N 1 1 472.600 3.331 20 0 JGADMO Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001304823173 1067893229 /nfs/dbraw/zinc/89/32/29/1067893229.db2.gz MGWBMMSHSQNWPY-UHFFFAOYSA-N 1 1 497.688 3.145 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCc1ccsc1 ZINC001303367114 1067896174 /nfs/dbraw/zinc/89/61/74/1067896174.db2.gz JHLUMJXIHLDPCK-KDURUIRLSA-N 1 1 474.675 3.046 20 0 JGADMO CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001303368044 1067897247 /nfs/dbraw/zinc/89/72/47/1067897247.db2.gz KABIEOZNPXZGOP-GYZWWNDVSA-N 1 1 481.662 3.284 20 0 JGADMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCn1cc(Br)cn1 ZINC001304837035 1067898048 /nfs/dbraw/zinc/89/80/48/1067898048.db2.gz FJQFMGOARKROAZ-WMZOPIPTSA-N 1 1 450.429 3.337 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1Cc1ccc(OC(C)C)nc1 ZINC001303369085 1067898123 /nfs/dbraw/zinc/89/81/23/1067898123.db2.gz IRUTYYSCOFHJRR-QHCPKHFHSA-N 1 1 491.640 3.358 20 0 JGADMO Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001304839864 1067899374 /nfs/dbraw/zinc/89/93/74/1067899374.db2.gz KPYADRISIWXTNW-RPWUZVMVSA-N 1 1 498.672 3.427 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1C(F)(F)F ZINC001303371333 1067900748 /nfs/dbraw/zinc/90/07/48/1067900748.db2.gz UVIQRWYDJVVBER-BPQIPLTHSA-N 1 1 456.509 3.208 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1C(F)(F)F ZINC001303371333 1067900751 /nfs/dbraw/zinc/90/07/51/1067900751.db2.gz UVIQRWYDJVVBER-BPQIPLTHSA-N 1 1 456.509 3.208 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001303372035 1067901210 /nfs/dbraw/zinc/90/12/10/1067901210.db2.gz DXNRKIOUYQXYTQ-UHFFFAOYSA-N 1 1 497.688 3.046 20 0 JGADMO Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001304856522 1067906402 /nfs/dbraw/zinc/90/64/02/1067906402.db2.gz QFCBKNXNKYXBAX-MRXNPFEDSA-N 1 1 467.540 3.192 20 0 JGADMO Cc1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304857964 1067907636 /nfs/dbraw/zinc/90/76/36/1067907636.db2.gz DQCDXVMHXZRGNN-IMSXRSKXSA-N 1 1 454.663 3.199 20 0 JGADMO Cc1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304857964 1067907638 /nfs/dbraw/zinc/90/76/38/1067907638.db2.gz DQCDXVMHXZRGNN-IMSXRSKXSA-N 1 1 454.663 3.199 20 0 JGADMO Cc1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304857965 1067907652 /nfs/dbraw/zinc/90/76/52/1067907652.db2.gz DQCDXVMHXZRGNN-LGVFNWMJSA-N 1 1 454.663 3.199 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304858554 1067908350 /nfs/dbraw/zinc/90/83/50/1067908350.db2.gz AXLCZEKPPCJPEF-RTBURBONSA-N 1 1 474.616 3.434 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3ccccc3[C@H]2C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303379224 1067908670 /nfs/dbraw/zinc/90/86/70/1067908670.db2.gz SGNUKWJWYSTYAW-VQTJNVASSA-N 1 1 454.619 3.041 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303379774 1067909341 /nfs/dbraw/zinc/90/93/41/1067909341.db2.gz QITFSFKBLRNUQP-GOSISDBHSA-N 1 1 475.037 3.133 20 0 JGADMO Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304860048 1067910131 /nfs/dbraw/zinc/91/01/31/1067910131.db2.gz GCVSXPKPKNIUOK-OFNKIYASSA-N 1 1 453.635 3.079 20 0 JGADMO Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001304860961 1067910303 /nfs/dbraw/zinc/91/03/03/1067910303.db2.gz PJATXCYMNKJTQD-UHFFFAOYSA-N 1 1 455.529 3.050 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304867521 1067912171 /nfs/dbraw/zinc/91/21/71/1067912171.db2.gz QZSCLIZHHYBQRF-NHCUHLMSSA-N 1 1 494.562 3.126 20 0 JGADMO Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304870012 1067913441 /nfs/dbraw/zinc/91/34/41/1067913441.db2.gz UGRYHAIZIYGOJB-YHELAOLJSA-N 1 1 476.666 3.310 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001303385197 1067913471 /nfs/dbraw/zinc/91/34/71/1067913471.db2.gz IOQFRPJOQQPNOI-GHTZIAJQSA-N 1 1 490.599 3.167 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001303385197 1067913475 /nfs/dbraw/zinc/91/34/75/1067913475.db2.gz IOQFRPJOQQPNOI-GHTZIAJQSA-N 1 1 490.599 3.167 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC001304871867 1067913829 /nfs/dbraw/zinc/91/38/29/1067913829.db2.gz CLQGZCKHVZXOQI-HSALFYBXSA-N 1 1 458.655 3.344 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303387655 1067915773 /nfs/dbraw/zinc/91/57/73/1067915773.db2.gz ZXCQWMIWEIBGAN-QGZVFWFLSA-N 1 1 470.515 3.466 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303387765 1067916107 /nfs/dbraw/zinc/91/61/07/1067916107.db2.gz GWLYYXYCBZDTJN-HXUWFJFHSA-N 1 1 491.681 3.126 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(Cc4ccccc4F)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001304876104 1067920293 /nfs/dbraw/zinc/92/02/93/1067920293.db2.gz QISFBPPQPCYJCW-IBGZPJMESA-N 1 1 484.624 3.313 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccccc1N1CCCCC1 ZINC001303396376 1067923330 /nfs/dbraw/zinc/92/33/30/1067923330.db2.gz BUNWNDCXOVYJKM-UHFFFAOYSA-N 1 1 467.662 3.375 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001303396353 1067923436 /nfs/dbraw/zinc/92/34/36/1067923436.db2.gz ASRFIKWIQLZYKN-UHFFFAOYSA-N 1 1 467.540 3.189 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001303397218 1067925638 /nfs/dbraw/zinc/92/56/38/1067925638.db2.gz FWAPKUSQOPDXRO-MOPGFXCFSA-N 1 1 496.582 3.156 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001303397478 1067926440 /nfs/dbraw/zinc/92/64/40/1067926440.db2.gz KKYDHUAYRXDBKI-FUDKSRODSA-N 1 1 498.672 3.272 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC[C@@H]1CCCCO1 ZINC001303399339 1067927640 /nfs/dbraw/zinc/92/76/40/1067927640.db2.gz ZZUDEBSBHHQAGG-QFIPXVFZSA-N 1 1 454.619 3.088 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303402475 1067930815 /nfs/dbraw/zinc/93/08/15/1067930815.db2.gz LCTMHCYWRXZOQS-UHFFFAOYSA-N 1 1 489.615 3.143 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303404270 1067932996 /nfs/dbraw/zinc/93/29/96/1067932996.db2.gz RJNUEOIMXPLHSG-NRFANRHFSA-N 1 1 471.625 3.002 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(c3cccs3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303404384 1067933035 /nfs/dbraw/zinc/93/30/35/1067933035.db2.gz TYIHQJYKWFPJEL-UHFFFAOYSA-N 1 1 485.633 3.076 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001303407246 1067934134 /nfs/dbraw/zinc/93/41/34/1067934134.db2.gz CUAOTBVNDQNPIM-AKIFATBCSA-N 1 1 468.646 3.188 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](c1ccco1)N(C)C ZINC001303408222 1067935271 /nfs/dbraw/zinc/93/52/71/1067935271.db2.gz PUPKKMGPKCSMGN-IRLDBZIGSA-N 1 1 479.629 3.023 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001303409549 1067936085 /nfs/dbraw/zinc/93/60/85/1067936085.db2.gz JFPSMRNUCOESHZ-TZIWHRDSSA-N 1 1 474.675 3.395 20 0 JGADMO Cc1noc(C2CCN(c3nnc(COc4ccccc4F)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001304891944 1067936464 /nfs/dbraw/zinc/93/64/64/1067936464.db2.gz KDKHWBJNZUMBHH-UHFFFAOYSA-N 1 1 457.554 3.412 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3cccs3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303410318 1067936568 /nfs/dbraw/zinc/93/65/68/1067936568.db2.gz SUGLAMZSVUNIFA-NRFANRHFSA-N 1 1 487.718 3.455 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CC1(C)CCCC1 ZINC001303410620 1067936942 /nfs/dbraw/zinc/93/69/42/1067936942.db2.gz WEMRCHRJGMSJNB-UHFFFAOYSA-N 1 1 481.689 3.251 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001303410520 1067936961 /nfs/dbraw/zinc/93/69/61/1067936961.db2.gz UHVBQTFSQXNFAO-SFHVURJKSA-N 1 1 486.617 3.407 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303413305 1067939159 /nfs/dbraw/zinc/93/91/59/1067939159.db2.gz BUQODHPHZQPCPK-TZIWHRDSSA-N 1 1 488.539 3.168 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CC[N@@H+]1CC=CCC1 ZINC001303414210 1067940372 /nfs/dbraw/zinc/94/03/72/1067940372.db2.gz IMCHRXXQGCKJCH-HXUWFJFHSA-N 1 1 476.984 3.049 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303414625 1067941629 /nfs/dbraw/zinc/94/16/29/1067941629.db2.gz MITZJANSDYGHLF-CTNGQTDRSA-N 1 1 470.549 3.029 20 0 JGADMO Cc1noc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001304897607 1067942234 /nfs/dbraw/zinc/94/22/34/1067942234.db2.gz NPLVFAZNMPXJTP-TZIWHRDSSA-N 1 1 459.639 3.441 20 0 JGADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304902374 1067946370 /nfs/dbraw/zinc/94/63/70/1067946370.db2.gz AEEVGPXPCCNISV-QFBILLFUSA-N 1 1 476.572 3.334 20 0 JGADMO CC(C)NC(=O)c1nnc(Nc2ccn(C)n2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303421822 1067947552 /nfs/dbraw/zinc/94/75/52/1067947552.db2.gz YHJSBCBXZNOXKM-QUCCMNQESA-N 1 1 450.591 3.194 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304910658 1067953613 /nfs/dbraw/zinc/95/36/13/1067953613.db2.gz JEHIWURIWAITAS-MHTWAQMVSA-N 1 1 480.723 3.437 20 0 JGADMO CC(C)NC(=O)CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001303429194 1067953714 /nfs/dbraw/zinc/95/37/14/1067953714.db2.gz DXDRHDBEHYKGRK-WMZHIEFXSA-N 1 1 472.682 3.034 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304912340 1067956030 /nfs/dbraw/zinc/95/60/30/1067956030.db2.gz NNCKAKYRZZHLFU-XPWALMASSA-N 1 1 487.737 3.148 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304912341 1067956095 /nfs/dbraw/zinc/95/60/95/1067956095.db2.gz NNCKAKYRZZHLFU-ZLNRFVROSA-N 1 1 487.737 3.148 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001304912638 1067956780 /nfs/dbraw/zinc/95/67/80/1067956780.db2.gz REQVJKUDIVHJTE-UYXZNNOOSA-N 1 1 486.636 3.454 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001304917611 1067960470 /nfs/dbraw/zinc/96/04/70/1067960470.db2.gz MEIDBXYPSROFAB-VLVHOKLOSA-N 1 1 488.702 3.281 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304922512 1067963636 /nfs/dbraw/zinc/96/36/36/1067963636.db2.gz ASVAJQFDWKICDZ-JSXRDJHFSA-N 1 1 492.690 3.233 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303441563 1067964086 /nfs/dbraw/zinc/96/40/86/1067964086.db2.gz MXULLNRRIFAFHB-YFNKSVMNSA-N 1 1 482.673 3.434 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923390 1067964352 /nfs/dbraw/zinc/96/43/52/1067964352.db2.gz DWXMLSMVUCYCDY-BDTNDASRSA-N 1 1 484.693 3.292 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303443315 1067965075 /nfs/dbraw/zinc/96/50/75/1067965075.db2.gz KZDIEWQUISYSEL-UHFFFAOYSA-N 1 1 460.598 3.079 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001304923660 1067965524 /nfs/dbraw/zinc/96/55/24/1067965524.db2.gz DVMSBGPTNCBTSK-HDICACEKSA-N 1 1 476.572 3.193 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923806 1067965890 /nfs/dbraw/zinc/96/58/90/1067965890.db2.gz FYQQIQMNFSLUFE-SZPZYZBQSA-N 1 1 492.672 3.460 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924241 1067966624 /nfs/dbraw/zinc/96/66/24/1067966624.db2.gz ICNIHWFARXNFTB-KDURUIRLSA-N 1 1 491.084 3.476 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(COc3ccccc3F)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001304924136 1067966677 /nfs/dbraw/zinc/96/66/77/1067966677.db2.gz GCRNGWQXXMZTTN-UNVFRBQDSA-N 1 1 486.636 3.456 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001304924509 1067967354 /nfs/dbraw/zinc/96/73/54/1067967354.db2.gz HYRKPMWVRYPAGW-QHAWAJNXSA-N 1 1 486.636 3.421 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC2CC2)C1 ZINC001304925270 1067968484 /nfs/dbraw/zinc/96/84/84/1067968484.db2.gz LTHWUKZYXXHYNF-ZVDOUQERSA-N 1 1 451.681 3.175 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001303448460 1067969737 /nfs/dbraw/zinc/96/97/37/1067969737.db2.gz PJYLAXODLBUIBT-UNMCSNQZSA-N 1 1 463.630 3.298 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304926008 1067969855 /nfs/dbraw/zinc/96/98/55/1067969855.db2.gz OEFRPGSGXRZYRE-MBDNFAEBSA-N 1 1 481.707 3.291 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C1 ZINC001304926520 1067970383 /nfs/dbraw/zinc/97/03/83/1067970383.db2.gz RUOUUJOJRWTJLW-MJQMVNBJSA-N 1 1 469.556 3.203 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926486 1067970422 /nfs/dbraw/zinc/97/04/22/1067970422.db2.gz PGFGBWCZHPKQMR-HSALFYBXSA-N 1 1 498.738 3.040 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001304926527 1067970633 /nfs/dbraw/zinc/97/06/33/1067970633.db2.gz RUOUUJOJRWTJLW-SFNKJDCFSA-N 1 1 469.556 3.203 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001304927234 1067972910 /nfs/dbraw/zinc/97/29/10/1067972910.db2.gz VVQZGDNBBLTLLJ-FUHIMQAGSA-N 1 1 460.026 3.282 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927220 1067972966 /nfs/dbraw/zinc/97/29/66/1067972966.db2.gz VVGCGNVZFRHSOQ-HSALFYBXSA-N 1 1 450.697 3.362 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001304927840 1067974674 /nfs/dbraw/zinc/97/46/74/1067974674.db2.gz WZCXUKAXZZODOC-OYRHEFFESA-N 1 1 494.750 3.459 20 0 JGADMO CC(C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001303457174 1067976087 /nfs/dbraw/zinc/97/60/87/1067976087.db2.gz FNFKTSPPFOKLFJ-VWLOTQADSA-N 1 1 495.716 3.350 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001304928311 1067976117 /nfs/dbraw/zinc/97/61/17/1067976117.db2.gz ZOBFNGMNVKVVAB-QHAWAJNXSA-N 1 1 470.637 3.433 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928481 1067976165 /nfs/dbraw/zinc/97/61/65/1067976165.db2.gz OARMKMBQERHZIH-PLACYPQZSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001304929326 1067977517 /nfs/dbraw/zinc/97/75/17/1067977517.db2.gz VDHLNMGGBRFITH-FUMQJTLXSA-N 1 1 474.600 3.217 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccncc3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001304929930 1067978799 /nfs/dbraw/zinc/97/87/99/1067978799.db2.gz ZSYKRTAFKPQRGB-OYRHEFFESA-N 1 1 470.662 3.467 20 0 JGADMO CC(C)NS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001303468976 1067988029 /nfs/dbraw/zinc/98/80/29/1067988029.db2.gz AFNHOHNJRVDYPO-FCHUYYIVSA-N 1 1 488.702 3.364 20 0 JGADMO C[C@@H]1C[C@@H](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001304938995 1067988208 /nfs/dbraw/zinc/98/82/08/1067988208.db2.gz PMBIZSPXQJBPLQ-RLLQIKCJSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@H]1C[C@H](Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001304942577 1067993828 /nfs/dbraw/zinc/99/38/28/1067993828.db2.gz NLOSJYQYEFVFAJ-FCHUYYIVSA-N 1 1 471.646 3.262 20 0 JGADMO C[C@H]1C[C@H](Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001304942577 1067993836 /nfs/dbraw/zinc/99/38/36/1067993836.db2.gz NLOSJYQYEFVFAJ-FCHUYYIVSA-N 1 1 471.646 3.262 20 0 JGADMO C[C@@H]1C[C@@H](CCn2c(CC(C)(C)C)nnc2N2CCN(C)C(=O)C2)C[N@H+]1Cc1ccccc1 ZINC001304942648 1067993852 /nfs/dbraw/zinc/99/38/52/1067993852.db2.gz YKFBRPLAVXWEAL-IFMALSPDSA-N 1 1 452.647 3.446 20 0 JGADMO C[C@@H]1C[C@H](N(C)c2nnc(-c3ccccn3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304946679 1067998629 /nfs/dbraw/zinc/99/86/29/1067998629.db2.gz DEGZXSHIJGKGTM-IFMALSPDSA-N 1 1 461.614 3.308 20 0 JGADMO C[C@@H]1C[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304948677 1067999525 /nfs/dbraw/zinc/99/95/25/1067999525.db2.gz CABUFOKUXCUKFK-WTGUMLROSA-N 1 1 476.666 3.252 20 0 JGADMO C[C@@H]1C[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304948677 1067999538 /nfs/dbraw/zinc/99/95/38/1067999538.db2.gz CABUFOKUXCUKFK-WTGUMLROSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001303480225 1068000038 /nfs/dbraw/zinc/00/00/38/1068000038.db2.gz ARSZQNUZTFYVLE-MHECFPHRSA-N 1 1 494.084 3.462 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304957280 1068002863 /nfs/dbraw/zinc/00/28/63/1068002863.db2.gz DIXVSTISKULZCQ-HSALFYBXSA-N 1 1 488.702 3.350 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCCCS2)CCOC1 ZINC001303482159 1068004295 /nfs/dbraw/zinc/00/42/95/1068004295.db2.gz QDKLOHPDUDAGIK-BWKNWUBXSA-N 1 1 495.734 3.399 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC001303482948 1068005759 /nfs/dbraw/zinc/00/57/59/1068005759.db2.gz CKOUQNIEZOGBOU-ZUVQJFRASA-N 1 1 493.693 3.212 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303482947 1068005789 /nfs/dbraw/zinc/00/57/89/1068005789.db2.gz CKOUQNIEZOGBOU-UXGLMHHASA-N 1 1 493.693 3.212 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303482947 1068005804 /nfs/dbraw/zinc/00/58/04/1068005804.db2.gz CKOUQNIEZOGBOU-UXGLMHHASA-N 1 1 493.693 3.212 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303482823 1068005992 /nfs/dbraw/zinc/00/59/92/1068005992.db2.gz ABLQTSSACNRJJC-OFNKIYASSA-N 1 1 485.620 3.157 20 0 JGADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001303490246 1068015094 /nfs/dbraw/zinc/01/50/94/1068015094.db2.gz AMFFWZMGKRLOHD-SFHVURJKSA-N 1 1 455.427 3.099 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C3CC3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001304977024 1068015476 /nfs/dbraw/zinc/01/54/76/1068015476.db2.gz PFICOYVOFVGRJX-KDURUIRLSA-N 1 1 471.616 3.035 20 0 JGADMO Cc1nc(-c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)s2)cs1 ZINC001303492171 1068017546 /nfs/dbraw/zinc/01/75/46/1068017546.db2.gz LVSZUGXUWRTMKQ-GOSISDBHSA-N 1 1 454.621 3.295 20 0 JGADMO Cc1cc(Br)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c1C ZINC001303492161 1068017814 /nfs/dbraw/zinc/01/78/14/1068017814.db2.gz LTYMNJKMEFSFGA-NRFANRHFSA-N 1 1 458.400 3.181 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(CO)CC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001303494257 1068019213 /nfs/dbraw/zinc/01/92/13/1068019213.db2.gz KBXDKOAXBYBFHV-RCZVLFRGSA-N 1 1 492.064 3.484 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCCCCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCOC1 ZINC001303499598 1068026457 /nfs/dbraw/zinc/02/64/57/1068026457.db2.gz DYARTLMRKSXFMK-RDGATRHJSA-N 1 1 463.667 3.326 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCNC(=O)OC(C)(C)C)CCOC1 ZINC001303500184 1068027420 /nfs/dbraw/zinc/02/74/20/1068027420.db2.gz HPWKLIAVAOPKMD-RUZDIDTESA-N 1 1 494.681 3.154 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303501849 1068031012 /nfs/dbraw/zinc/03/10/12/1068031012.db2.gz PLINZKSACYYPLO-ZJSXRUAMSA-N 1 1 459.639 3.124 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCOC1 ZINC001303502263 1068031854 /nfs/dbraw/zinc/03/18/54/1068031854.db2.gz MDZVWGTYBJVEMF-ATIYNZHBSA-N 1 1 476.710 3.217 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2nccn2C(F)F)CCOC1 ZINC001303502144 1068031973 /nfs/dbraw/zinc/03/19/73/1068031973.db2.gz RJENOKXVLPQTTC-HSZRJFAPSA-N 1 1 481.592 3.269 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303502600 1068033174 /nfs/dbraw/zinc/03/31/74/1068033174.db2.gz OANXFCOCXWBTBY-WIYYLYMNSA-N 1 1 477.572 3.207 20 0 JGADMO C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304993805 1068035654 /nfs/dbraw/zinc/03/56/54/1068035654.db2.gz AIEGPEKWNGXWBO-KBMIEXCESA-N 1 1 489.686 3.210 20 0 JGADMO C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304995546 1068037759 /nfs/dbraw/zinc/03/77/59/1068037759.db2.gz JVAPONRYDVDKKJ-KOSHJBKYSA-N 1 1 477.053 3.339 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CC(F)(F)F)CCOC1 ZINC001303505474 1068039192 /nfs/dbraw/zinc/03/91/92/1068039192.db2.gz KWBNDCDRKIPVHD-LJQANCHMSA-N 1 1 459.538 3.265 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCOC(C)(C)C3)n2CCC[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303506142 1068040280 /nfs/dbraw/zinc/04/02/80/1068040280.db2.gz NVZSANFLIADRCB-AREMUKBSSA-N 1 1 471.646 3.456 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303510298 1068044845 /nfs/dbraw/zinc/04/48/45/1068044845.db2.gz SJAVABRUEHSPRV-WHLIWEHUSA-N 1 1 499.647 3.403 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305012576 1068052869 /nfs/dbraw/zinc/05/28/69/1068052869.db2.gz MUMPXFSGLPNBAR-RZUBCFFCSA-N 1 1 474.675 3.179 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305012575 1068052967 /nfs/dbraw/zinc/05/29/67/1068052967.db2.gz MUMPXFSGLPNBAR-KCZVDYSFSA-N 1 1 474.675 3.179 20 0 JGADMO CC(C)Oc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC001303523430 1068053424 /nfs/dbraw/zinc/05/34/24/1068053424.db2.gz VZVKERRREQURRS-OAQYLSRUSA-N 1 1 469.634 3.016 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001305013500 1068053910 /nfs/dbraw/zinc/05/39/10/1068053910.db2.gz JUXQAFXOJSVNOS-NHCUHLMSSA-N 1 1 460.667 3.420 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303524057 1068054026 /nfs/dbraw/zinc/05/40/26/1068054026.db2.gz LSWMVPYCIHJADI-HBMCJLEFSA-N 1 1 463.667 3.454 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCCS(C)(=O)=O)C1 ZINC001305013712 1068054351 /nfs/dbraw/zinc/05/43/51/1068054351.db2.gz LTXDEMZWNMIQOC-SFTDATJTSA-N 1 1 459.660 3.471 20 0 JGADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305013844 1068054527 /nfs/dbraw/zinc/05/45/27/1068054527.db2.gz ACVHFWHZOQHVAD-WOJBJXKFSA-N 1 1 499.685 3.393 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCCS(C)(=O)=O)C1 ZINC001305013711 1068054556 /nfs/dbraw/zinc/05/45/56/1068054556.db2.gz LTXDEMZWNMIQOC-RTWAWAEBSA-N 1 1 459.660 3.471 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N(C)C)CC1 ZINC001305013723 1068054581 /nfs/dbraw/zinc/05/45/81/1068054581.db2.gz LXDAHGUROFHKDB-IFMALSPDSA-N 1 1 460.667 3.131 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305015736 1068058887 /nfs/dbraw/zinc/05/88/87/1068058887.db2.gz YNWBJPWIRPZZSW-QHAWAJNXSA-N 1 1 476.691 3.425 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NC(C)(C)C)C1 ZINC001305016184 1068059356 /nfs/dbraw/zinc/05/93/56/1068059356.db2.gz ZKCLZKJNOAVJHQ-NJDAHSKKSA-N 1 1 460.667 3.178 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001305017272 1068061201 /nfs/dbraw/zinc/06/12/01/1068061201.db2.gz CXMAKEIZJPNRSA-SFHVURJKSA-N 1 1 482.050 3.010 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001305017598 1068061490 /nfs/dbraw/zinc/06/14/90/1068061490.db2.gz FMMPZDVSQMQPKB-VAMGGRTRSA-N 1 1 483.723 3.188 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC001305017843 1068061569 /nfs/dbraw/zinc/06/15/69/1068061569.db2.gz GMONPDNQNKKJIU-AZUAARDMSA-N 1 1 459.683 3.418 20 0 JGADMO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305018789 1068064047 /nfs/dbraw/zinc/06/40/47/1068064047.db2.gz VIHILXPXJZIWGZ-UXHICEINSA-N 1 1 474.675 3.253 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305018795 1068064312 /nfs/dbraw/zinc/06/43/12/1068064312.db2.gz KCUHBMSQOYBGHX-GHTZIAJQSA-N 1 1 493.649 3.130 20 0 JGADMO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305018791 1068064363 /nfs/dbraw/zinc/06/43/63/1068064363.db2.gz VIHILXPXJZIWGZ-WOJBJXKFSA-N 1 1 474.675 3.253 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305018801 1068064433 /nfs/dbraw/zinc/06/44/33/1068064433.db2.gz KCUHBMSQOYBGHX-WIYYLYMNSA-N 1 1 493.649 3.130 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001303535975 1068064463 /nfs/dbraw/zinc/06/44/63/1068064463.db2.gz HKPUESOSJMENKA-FYYLOGMGSA-N 1 1 456.635 3.015 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001305018798 1068064584 /nfs/dbraw/zinc/06/45/84/1068064584.db2.gz KCUHBMSQOYBGHX-NQIIRXRSSA-N 1 1 493.649 3.130 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN(C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305019604 1068065587 /nfs/dbraw/zinc/06/55/87/1068065587.db2.gz NFUKAIGKLKJSRK-YADHBBJMSA-N 1 1 467.662 3.207 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001305019732 1068066056 /nfs/dbraw/zinc/06/60/56/1068066056.db2.gz RPNMLWZRLMEPBV-QGZVFWFLSA-N 1 1 496.475 3.207 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001305020030 1068067681 /nfs/dbraw/zinc/06/76/81/1068067681.db2.gz SMFFPCQELSFZDX-GOSISDBHSA-N 1 1 466.556 3.074 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001305020652 1068068654 /nfs/dbraw/zinc/06/86/54/1068068654.db2.gz SCNJGGMDYFFIFZ-IFMALSPDSA-N 1 1 452.647 3.276 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001305020865 1068069141 /nfs/dbraw/zinc/06/91/41/1068069141.db2.gz WBWXCJGRNCXNQG-IBGZPJMESA-N 1 1 463.623 3.220 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305020786 1068069418 /nfs/dbraw/zinc/06/94/18/1068069418.db2.gz VKAQOIFRUVDUDQ-CTNGQTDRSA-N 1 1 456.610 3.364 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(N3CC[C@]4(CCS(=O)(=O)C4)C3)nnc2C(C)(C)C)C1 ZINC001305021761 1068071895 /nfs/dbraw/zinc/07/18/95/1068071895.db2.gz WZVUNJNQIRTQRD-JPYJTQIMSA-N 1 1 451.681 3.101 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(N3CC[C@@]4(CCS(=O)(=O)C4)C3)nnc2C(C)(C)C)C1 ZINC001305021765 1068072133 /nfs/dbraw/zinc/07/21/33/1068072133.db2.gz WZVUNJNQIRTQRD-WZONZLPQSA-N 1 1 451.681 3.101 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001305022311 1068073394 /nfs/dbraw/zinc/07/33/94/1068073394.db2.gz KVVQXFSPRTXDPY-RDJZCZTQSA-N 1 1 496.582 3.128 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022366 1068073516 /nfs/dbraw/zinc/07/35/16/1068073516.db2.gz BJHJBPCYXFWFIN-BRSBDYLESA-N 1 1 498.644 3.484 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305022960 1068074575 /nfs/dbraw/zinc/07/45/75/1068074575.db2.gz OIJZKYPRFPWYOJ-ZWKOTPCHSA-N 1 1 494.731 3.413 20 0 JGADMO CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303549045 1068075655 /nfs/dbraw/zinc/07/56/55/1068075655.db2.gz MEAJILWZJAXYEX-FGZHOGPDSA-N 1 1 454.619 3.145 20 0 JGADMO CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303549860 1068076561 /nfs/dbraw/zinc/07/65/61/1068076561.db2.gz HWAJXKWFMMFOCA-IRLDBZIGSA-N 1 1 454.619 3.145 20 0 JGADMO CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303549859 1068076688 /nfs/dbraw/zinc/07/66/88/1068076688.db2.gz HWAJXKWFMMFOCA-IFMALSPDSA-N 1 1 454.619 3.145 20 0 JGADMO CC(C)OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001303550320 1068076957 /nfs/dbraw/zinc/07/69/57/1068076957.db2.gz NHLQMFWUBUQZGI-GGAORHGYSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303550320 1068076974 /nfs/dbraw/zinc/07/69/74/1068076974.db2.gz NHLQMFWUBUQZGI-GGAORHGYSA-N 1 1 489.686 3.096 20 0 JGADMO C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024374 1068078130 /nfs/dbraw/zinc/07/81/30/1068078130.db2.gz LALNRHVKUJTQHN-NJDAHSKKSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024024 1068078289 /nfs/dbraw/zinc/07/82/89/1068078289.db2.gz KCIDVLFHQHNSIM-UXHICEINSA-N 1 1 469.634 3.035 20 0 JGADMO CC(C)OCCCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001303554331 1068079236 /nfs/dbraw/zinc/07/92/36/1068079236.db2.gz DMRJWFQCDQHEKD-QFIPXVFZSA-N 1 1 474.694 3.424 20 0 JGADMO CC(C)OCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303554633 1068079638 /nfs/dbraw/zinc/07/96/38/1068079638.db2.gz AYJDJSHFAHLFRZ-DEOSSOPVSA-N 1 1 461.582 3.112 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305025088 1068079675 /nfs/dbraw/zinc/07/96/75/1068079675.db2.gz KGKUGBQNGUITID-NJDAHSKKSA-N 1 1 460.667 3.034 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024915 1068079707 /nfs/dbraw/zinc/07/97/07/1068079707.db2.gz JJQIAJARCRMLKT-FRYUTEBBSA-N 1 1 469.659 3.173 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026146 1068081847 /nfs/dbraw/zinc/08/18/47/1068081847.db2.gz QBQMBZVXWPRFDO-UAFMIMERSA-N 1 1 451.681 3.173 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305026651 1068082874 /nfs/dbraw/zinc/08/28/74/1068082874.db2.gz XDIQEZTVVQNWOF-OALUTQOASA-N 1 1 460.598 3.191 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC001305026963 1068083252 /nfs/dbraw/zinc/08/32/52/1068083252.db2.gz SNRKJTCWFLDQBL-IXDOHACOSA-N 1 1 469.556 3.291 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026995 1068083309 /nfs/dbraw/zinc/08/33/09/1068083309.db2.gz YUNLKMAFWJKPHO-AABGKKOBSA-N 1 1 455.607 3.051 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027181 1068084040 /nfs/dbraw/zinc/08/40/40/1068084040.db2.gz TVOBGPVKMZFQOR-AOIWGVFYSA-N 1 1 481.613 3.215 20 0 JGADMO C[C@@H](Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305028827 1068087164 /nfs/dbraw/zinc/08/71/64/1068087164.db2.gz KVFFLCCYKTUIRH-YADHBBJMSA-N 1 1 487.737 3.267 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C)CC1 ZINC001305032155 1068089315 /nfs/dbraw/zinc/08/93/15/1068089315.db2.gz FEPUOWALYZUVLA-VQTJNVASSA-N 1 1 476.691 3.403 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1 ZINC001305032153 1068089440 /nfs/dbraw/zinc/08/94/40/1068089440.db2.gz FEPUOWALYZUVLA-UXHICEINSA-N 1 1 476.691 3.403 20 0 JGADMO CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303566800 1068089776 /nfs/dbraw/zinc/08/97/76/1068089776.db2.gz KIISQCJTYDYWDQ-YSTOQKLRSA-N 1 1 462.639 3.147 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)CC1 ZINC001303566955 1068089858 /nfs/dbraw/zinc/08/98/58/1068089858.db2.gz NCKFOWDLNGWZJR-UHFFFAOYSA-N 1 1 465.440 3.328 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001305034893 1068091388 /nfs/dbraw/zinc/09/13/88/1068091388.db2.gz JSOWTKCONXUOMK-OTNCWRBYSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001305034896 1068091418 /nfs/dbraw/zinc/09/14/18/1068091418.db2.gz JSOWTKCONXUOMK-RQTOMXEWSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001303570190 1068093753 /nfs/dbraw/zinc/09/37/53/1068093753.db2.gz BBPOTBMQRANXTO-UHFFFAOYSA-N 1 1 483.642 3.016 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001303570243 1068093835 /nfs/dbraw/zinc/09/38/35/1068093835.db2.gz CPKXYOLEJGSAHK-AREMUKBSSA-N 1 1 499.059 3.372 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3cccnc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001303570595 1068094344 /nfs/dbraw/zinc/09/43/44/1068094344.db2.gz UQMIKOVFFTXYMY-UHFFFAOYSA-N 1 1 455.651 3.152 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001303570595 1068094358 /nfs/dbraw/zinc/09/43/58/1068094358.db2.gz UQMIKOVFFTXYMY-UHFFFAOYSA-N 1 1 455.651 3.152 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ncccc2Cl)CC1 ZINC001303570829 1068095051 /nfs/dbraw/zinc/09/50/51/1068095051.db2.gz GJWWTYIKNYKDCO-HXUWFJFHSA-N 1 1 479.025 3.194 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001305041201 1068095727 /nfs/dbraw/zinc/09/57/27/1068095727.db2.gz CLLBENWKPJJPFH-QUCCMNQESA-N 1 1 465.689 3.066 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305041128 1068095883 /nfs/dbraw/zinc/09/58/83/1068095883.db2.gz BJVIXZDCJMJLAX-OAQYLSRUSA-N 1 1 478.645 3.029 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305041202 1068095959 /nfs/dbraw/zinc/09/59/59/1068095959.db2.gz CLLBENWKPJJPFH-UYAOXDASSA-N 1 1 465.689 3.066 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305041632 1068096470 /nfs/dbraw/zinc/09/64/70/1068096470.db2.gz FUZYAFYFPBZRMQ-GGAORHGYSA-N 1 1 488.702 3.180 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CC3CC3)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001303571916 1068096777 /nfs/dbraw/zinc/09/67/77/1068096777.db2.gz SFVPPJIVJBOWOB-UHFFFAOYSA-N 1 1 451.537 3.438 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2cccnc2)CC1 ZINC001303571791 1068097012 /nfs/dbraw/zinc/09/70/12/1068097012.db2.gz OVPJORCMDVMFLI-UHFFFAOYSA-N 1 1 470.568 3.332 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001303571873 1068097272 /nfs/dbraw/zinc/09/72/72/1068097272.db2.gz QWOMSHKISJEBSP-AREMUKBSSA-N 1 1 470.662 3.142 20 0 JGADMO C[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001305042079 1068097548 /nfs/dbraw/zinc/09/75/48/1068097548.db2.gz GJAZTGRXWCKMGG-YCRPNKLZSA-N 1 1 454.402 3.467 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001303572215 1068097723 /nfs/dbraw/zinc/09/77/23/1068097723.db2.gz YXVGMSJDEQVVLL-GOTSBHOMSA-N 1 1 456.635 3.164 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001305042493 1068098667 /nfs/dbraw/zinc/09/86/67/1068098667.db2.gz IJQBQRSIUWSABJ-RTWAWAEBSA-N 1 1 469.634 3.299 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042846 1068098921 /nfs/dbraw/zinc/09/89/21/1068098921.db2.gz LLXHSOUSLABSOJ-TZIWHRDSSA-N 1 1 484.620 3.387 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042843 1068099063 /nfs/dbraw/zinc/09/90/63/1068099063.db2.gz LLXHSOUSLABSOJ-CTNGQTDRSA-N 1 1 484.620 3.387 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305043115 1068099572 /nfs/dbraw/zinc/09/95/72/1068099572.db2.gz OIQFVTAKERVQIC-VQTJNVASSA-N 1 1 474.675 3.004 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS(=O)CC2)C1 ZINC001305043710 1068100342 /nfs/dbraw/zinc/10/03/42/1068100342.db2.gz SORFSHNPGFPDFY-NJDAHSKKSA-N 1 1 465.708 3.278 20 0 JGADMO CC(C)SCCn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001303577166 1068101835 /nfs/dbraw/zinc/10/18/35/1068101835.db2.gz YMASLJRBUSJWIC-NRFANRHFSA-N 1 1 490.693 3.457 20 0 JGADMO Cc1c(C(=O)N2CCn3c(c(Br)nc3C(F)(F)F)C2)cnn1-c1cc[nH+]cc1 ZINC001305045190 1068102400 /nfs/dbraw/zinc/10/24/00/1068102400.db2.gz BODFAGRLHRZTCO-UHFFFAOYSA-N 1 1 455.238 3.210 20 0 JGADMO CC(C)SCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303578456 1068102794 /nfs/dbraw/zinc/10/27/94/1068102794.db2.gz HMYPFTDGCQGUII-BDTNDASRSA-N 1 1 464.724 3.309 20 0 JGADMO CC(C)SCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001303578909 1068103303 /nfs/dbraw/zinc/10/33/03/1068103303.db2.gz NGDJUYLRULHNFQ-VXKWHMMOSA-N 1 1 491.727 3.280 20 0 JGADMO CC(C)SCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001303578908 1068103369 /nfs/dbraw/zinc/10/33/69/1068103369.db2.gz NGDJUYLRULHNFQ-FGZHOGPDSA-N 1 1 491.727 3.280 20 0 JGADMO CC(C)SCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001303578910 1068103406 /nfs/dbraw/zinc/10/34/06/1068103406.db2.gz NGDJUYLRULHNFQ-YADHBBJMSA-N 1 1 491.727 3.280 20 0 JGADMO C[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305046253 1068104009 /nfs/dbraw/zinc/10/40/09/1068104009.db2.gz IOSGUPUFDZIBMT-HSALFYBXSA-N 1 1 462.639 3.165 20 0 JGADMO CC(C)SCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303579488 1068104129 /nfs/dbraw/zinc/10/41/29/1068104129.db2.gz XILMYQKFDKUVGA-UXHICEINSA-N 1 1 494.706 3.055 20 0 JGADMO CC(C)SCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303579488 1068104136 /nfs/dbraw/zinc/10/41/36/1068104136.db2.gz XILMYQKFDKUVGA-UXHICEINSA-N 1 1 494.706 3.055 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305046811 1068104548 /nfs/dbraw/zinc/10/45/48/1068104548.db2.gz JSKWGXMGVGZIGP-DNVJHFABSA-N 1 1 474.694 3.283 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305046812 1068104583 /nfs/dbraw/zinc/10/45/83/1068104583.db2.gz JSKWGXMGVGZIGP-VJBWXMMDSA-N 1 1 474.694 3.283 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CCOc3ccccc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305046983 1068105346 /nfs/dbraw/zinc/10/53/46/1068105346.db2.gz DKQKHAAPLPKMLV-GGAORHGYSA-N 1 1 489.686 3.035 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)OC2CCCC2)C1 ZINC001305047018 1068105360 /nfs/dbraw/zinc/10/53/60/1068105360.db2.gz AFFRVZGFCSGQHL-LJQANCHMSA-N 1 1 490.674 3.238 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001305047554 1068106643 /nfs/dbraw/zinc/10/66/43/1068106643.db2.gz LFMHUNZWQOROFN-HXUWFJFHSA-N 1 1 486.665 3.248 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001305048958 1068108511 /nfs/dbraw/zinc/10/85/11/1068108511.db2.gz QWIRHLMCZKYOAO-MOPGFXCFSA-N 1 1 496.077 3.081 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001305048960 1068108568 /nfs/dbraw/zinc/10/85/68/1068108568.db2.gz QWIRHLMCZKYOAO-RBUKOAKNSA-N 1 1 496.077 3.081 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cc(F)ccc3Br)nnc2N2CCNC(=O)C2)C1 ZINC001305049074 1068108595 /nfs/dbraw/zinc/10/85/95/1068108595.db2.gz NOSUPNXPWREZDS-INIZCTEOSA-N 1 1 493.425 3.295 20 0 JGADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305049424 1068109164 /nfs/dbraw/zinc/10/91/64/1068109164.db2.gz SKTSHNHVKZDMBD-XQBPLPMBSA-N 1 1 490.674 3.096 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305049472 1068109199 /nfs/dbraw/zinc/10/91/99/1068109199.db2.gz IPSBLRQPCBPFIV-HOTGVXAUSA-N 1 1 493.425 3.280 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001305050055 1068111215 /nfs/dbraw/zinc/11/12/15/1068111215.db2.gz QXFNQKVAZUYAFF-FQEVSTJZSA-N 1 1 489.064 3.406 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001305050116 1068111246 /nfs/dbraw/zinc/11/12/46/1068111246.db2.gz RUQIIWBGQXYAQH-HXUWFJFHSA-N 1 1 489.686 3.476 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001305050005 1068111311 /nfs/dbraw/zinc/11/13/11/1068111311.db2.gz RTIPJLHRKCBIFF-GOSISDBHSA-N 1 1 460.598 3.079 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001305050194 1068111877 /nfs/dbraw/zinc/11/18/77/1068111877.db2.gz UZRNWNJWATZKAN-MRXNPFEDSA-N 1 1 494.541 3.372 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnn(C)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303591485 1068112182 /nfs/dbraw/zinc/11/21/82/1068112182.db2.gz AHTIPOXFJGZRJT-QGZVFWFLSA-N 1 1 472.588 3.180 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303591485 1068112185 /nfs/dbraw/zinc/11/21/85/1068112185.db2.gz AHTIPOXFJGZRJT-QGZVFWFLSA-N 1 1 472.588 3.180 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303591485 1068112190 /nfs/dbraw/zinc/11/21/90/1068112190.db2.gz AHTIPOXFJGZRJT-QGZVFWFLSA-N 1 1 472.588 3.180 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001305050446 1068112525 /nfs/dbraw/zinc/11/25/25/1068112525.db2.gz VATQVEYEAJOVSF-JKSUJKDBSA-N 1 1 481.428 3.207 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305050945 1068112850 /nfs/dbraw/zinc/11/28/50/1068112850.db2.gz NKGKIQJTRHDLFT-CVEARBPZSA-N 1 1 493.425 3.280 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305050575 1068112962 /nfs/dbraw/zinc/11/29/62/1068112962.db2.gz VWMWMQBDCUVNDI-NLFFAJNJSA-N 1 1 463.667 3.444 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001305050946 1068112974 /nfs/dbraw/zinc/11/29/74/1068112974.db2.gz YPFMXJYCLLUBOZ-SJLPKXTDSA-N 1 1 484.041 3.341 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCOC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001305051096 1068113616 /nfs/dbraw/zinc/11/36/16/1068113616.db2.gz ZEHVLFXETGGCPA-IRXDYDNUSA-N 1 1 498.491 3.337 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)CC2)C1 ZINC001305051137 1068113631 /nfs/dbraw/zinc/11/36/31/1068113631.db2.gz UYHBWQNIPGZNKL-NRFANRHFSA-N 1 1 456.683 3.439 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305051275 1068114283 /nfs/dbraw/zinc/11/42/83/1068114283.db2.gz YLESJHIPCZYXFE-QTDGGUCWSA-N 1 1 451.681 3.381 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305051126 1068114339 /nfs/dbraw/zinc/11/43/39/1068114339.db2.gz OJZWOZCAWCCWRX-ZWKOTPCHSA-N 1 1 458.632 3.028 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CCC(F)(F)F)C1 ZINC001305051556 1068115071 /nfs/dbraw/zinc/11/50/71/1068115071.db2.gz PSFZCLXOPLAVLC-MRXNPFEDSA-N 1 1 477.535 3.313 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccn3C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001305052252 1068115699 /nfs/dbraw/zinc/11/56/99/1068115699.db2.gz SDQKJNQYMLUNPK-PMACEKPBSA-N 1 1 471.650 3.461 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001305052169 1068116237 /nfs/dbraw/zinc/11/62/37/1068116237.db2.gz ZNPDJEXLUOKMNS-FCHUYYIVSA-N 1 1 456.635 3.482 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(Br)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305052813 1068116932 /nfs/dbraw/zinc/11/69/32/1068116932.db2.gz VIXMTCDIPVMEMB-APWZRJJASA-N 1 1 496.475 3.063 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCC[C@H]1C)S(C)(=O)=O ZINC001305057342 1068119256 /nfs/dbraw/zinc/11/92/56/1068119256.db2.gz BCVQMAQTOACHEZ-IXDOHACOSA-N 1 1 454.040 3.341 20 0 JGADMO C[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305057730 1068119803 /nfs/dbraw/zinc/11/98/03/1068119803.db2.gz FIZOXXMCZWGWQE-OALUTQOASA-N 1 1 462.639 3.450 20 0 JGADMO C[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305057730 1068119808 /nfs/dbraw/zinc/11/98/08/1068119808.db2.gz FIZOXXMCZWGWQE-OALUTQOASA-N 1 1 462.639 3.450 20 0 JGADMO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305058200 1068120377 /nfs/dbraw/zinc/12/03/77/1068120377.db2.gz FXUATVWSFQSQNA-LEWJYISDSA-N 1 1 461.614 3.480 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001305059747 1068123833 /nfs/dbraw/zinc/12/38/33/1068123833.db2.gz OCFBGZGCQBCYJN-RTBURBONSA-N 1 1 455.607 3.270 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060012 1068124574 /nfs/dbraw/zinc/12/45/74/1068124574.db2.gz STMAWNJGXUUBNV-QHAWAJNXSA-N 1 1 476.666 3.350 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001305060660 1068125803 /nfs/dbraw/zinc/12/58/03/1068125803.db2.gz WPMOHEKWPORXGS-VAMGGRTRSA-N 1 1 462.639 3.498 20 0 JGADMO C[C@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001305061016 1068126435 /nfs/dbraw/zinc/12/64/35/1068126435.db2.gz XLMRGPGZOFAHHV-JTHBVZDNSA-N 1 1 454.663 3.207 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001305061016 1068126438 /nfs/dbraw/zinc/12/64/38/1068126438.db2.gz XLMRGPGZOFAHHV-JTHBVZDNSA-N 1 1 454.663 3.207 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001305062133 1068128852 /nfs/dbraw/zinc/12/88/52/1068128852.db2.gz XALXMRRTBJKRBU-SFHVURJKSA-N 1 1 461.010 3.167 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305062276 1068129458 /nfs/dbraw/zinc/12/94/58/1068129458.db2.gz XXAZJHJYAPRJJK-QGZVFWFLSA-N 1 1 475.041 3.108 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)F)CC1 ZINC001305062950 1068131257 /nfs/dbraw/zinc/13/12/57/1068131257.db2.gz SNMQECBABWBOSU-QWFCFKBJSA-N 1 1 454.610 3.068 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303602413 1068132657 /nfs/dbraw/zinc/13/26/57/1068132657.db2.gz NWVSFYGBTPKVRH-XRSWDHFMSA-N 1 1 482.654 3.386 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303605605 1068138831 /nfs/dbraw/zinc/13/88/31/1068138831.db2.gz ZMBDKDQOUBEQLY-NVXHTHCOSA-N 1 1 495.697 3.301 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303605605 1068138837 /nfs/dbraw/zinc/13/88/37/1068138837.db2.gz ZMBDKDQOUBEQLY-NVXHTHCOSA-N 1 1 495.697 3.301 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303605605 1068138840 /nfs/dbraw/zinc/13/88/40/1068138840.db2.gz ZMBDKDQOUBEQLY-NVXHTHCOSA-N 1 1 495.697 3.301 20 0 JGADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)[C@H]1C ZINC001305070197 1068144591 /nfs/dbraw/zinc/14/45/91/1068144591.db2.gz CHXIJQRYXLONNK-DXIQSLLYSA-N 1 1 489.064 3.333 20 0 JGADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)[C@H]1C ZINC001305070200 1068144607 /nfs/dbraw/zinc/14/46/07/1068144607.db2.gz CHXIJQRYXLONNK-XQBPLPMBSA-N 1 1 489.064 3.333 20 0 JGADMO C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001305071306 1068145077 /nfs/dbraw/zinc/14/50/77/1068145077.db2.gz DMJKPQPDDQUYSV-INIZCTEOSA-N 1 1 464.456 3.156 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001305072703 1068146901 /nfs/dbraw/zinc/14/69/01/1068146901.db2.gz FZVWANCXJPZOGD-YJYMSZOUSA-N 1 1 454.800 3.274 20 0 JGADMO C[C@@H](c1ccccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC[NH+]1CCOCC1 ZINC001303614460 1068148633 /nfs/dbraw/zinc/14/86/33/1068148633.db2.gz SWHIPNGJSOSMLB-SFHVURJKSA-N 1 1 486.617 3.328 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)C)CC1 ZINC001303628053 1068158371 /nfs/dbraw/zinc/15/83/71/1068158371.db2.gz GELQWFNCCPQURS-AWEZNQCLSA-N 1 1 492.447 3.069 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303629685 1068160539 /nfs/dbraw/zinc/16/05/39/1068160539.db2.gz NJGDRZMGUHNZSZ-SJORKVTESA-N 1 1 472.581 3.221 20 0 JGADMO C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001305100641 1068167468 /nfs/dbraw/zinc/16/74/68/1068167468.db2.gz YTDRIDDLAUSYSY-WOJBJXKFSA-N 1 1 487.718 3.026 20 0 JGADMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC001303652768 1068182769 /nfs/dbraw/zinc/18/27/69/1068182769.db2.gz GSNRVWXJDQBEEV-NHCUHLMSSA-N 1 1 481.540 3.168 20 0 JGADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC001303652768 1068182772 /nfs/dbraw/zinc/18/27/72/1068182772.db2.gz GSNRVWXJDQBEEV-NHCUHLMSSA-N 1 1 481.540 3.168 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3CCN(C(=O)c4ccccc4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111262 1068182853 /nfs/dbraw/zinc/18/28/53/1068182853.db2.gz ALXSFMSONXWGDQ-OYRHEFFESA-N 1 1 482.673 3.426 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305111622 1068183610 /nfs/dbraw/zinc/18/36/10/1068183610.db2.gz BKMRWBNKIFPKQA-HBMCJLEFSA-N 1 1 462.683 3.278 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001305111708 1068184034 /nfs/dbraw/zinc/18/40/34/1068184034.db2.gz FPWYGLXIIPSLNS-XJUOHMSHSA-N 1 1 482.673 3.043 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305111774 1068184901 /nfs/dbraw/zinc/18/49/01/1068184901.db2.gz CBFPTDBEUHIJBD-OYRHEFFESA-N 1 1 499.704 3.255 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305111951 1068184940 /nfs/dbraw/zinc/18/49/40/1068184940.db2.gz HVOXFWPDHZMBCH-ZRZAMGCNSA-N 1 1 496.700 3.256 20 0 JGADMO O=C(CCSc1ncnc2[nH]cnc21)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001303653945 1068185054 /nfs/dbraw/zinc/18/50/54/1068185054.db2.gz QIOITMHVYKBGBN-HUUCEWRRSA-N 1 1 450.490 3.014 20 0 JGADMO O=C(CCSc1ncnc2[nH]cnc21)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001303653945 1068185055 /nfs/dbraw/zinc/18/50/55/1068185055.db2.gz QIOITMHVYKBGBN-HUUCEWRRSA-N 1 1 450.490 3.014 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)O1 ZINC001305113065 1068188615 /nfs/dbraw/zinc/18/86/15/1068188615.db2.gz RBXHNYAYHIIHDM-FGYAAKKASA-N 1 1 458.676 3.482 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC001305113129 1068188668 /nfs/dbraw/zinc/18/86/68/1068188668.db2.gz SAHYRGBENBGKBJ-HDICACEKSA-N 1 1 487.599 3.405 20 0 JGADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC001305113452 1068189961 /nfs/dbraw/zinc/18/99/61/1068189961.db2.gz ULMHQKOMXGTAAT-HZPDHXFCSA-N 1 1 471.568 3.466 20 0 JGADMO C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2cccc(CS(N)(=O)=O)c2)cc1 ZINC001303657930 1068190428 /nfs/dbraw/zinc/19/04/28/1068190428.db2.gz VJJAVTXSTICRSF-UHFFFAOYSA-N 1 1 453.564 3.238 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@H](C)O1 ZINC001305114487 1068192334 /nfs/dbraw/zinc/19/23/34/1068192334.db2.gz YMNWGNCMWCBBKJ-VSKRKVRLSA-N 1 1 482.673 3.008 20 0 JGADMO C[C@@H](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC001303663735 1068195123 /nfs/dbraw/zinc/19/51/23/1068195123.db2.gz FAYGIWJWYWERAQ-RBBKRZOGSA-N 1 1 468.646 3.218 20 0 JGADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+]1CC=CCC1 ZINC001305120756 1068202572 /nfs/dbraw/zinc/20/25/72/1068202572.db2.gz XFPZYHNYFYZCQX-HNNXBMFYSA-N 1 1 493.837 3.290 20 0 JGADMO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC001303669014 1068203499 /nfs/dbraw/zinc/20/34/99/1068203499.db2.gz RQJPJIPEIXQWDN-CTNGQTDRSA-N 1 1 454.619 3.418 20 0 JGADMO C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001303669908 1068204536 /nfs/dbraw/zinc/20/45/36/1068204536.db2.gz WKSWSRXJFXXIBF-IEBWSBKVSA-N 1 1 487.592 3.479 20 0 JGADMO COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001303671301 1068204973 /nfs/dbraw/zinc/20/49/73/1068204973.db2.gz YZYTXJZQIVYPAS-YPAWHYETSA-N 1 1 467.566 3.398 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2CCCC[C@@H]2C)CC(C)(C)O1 ZINC001305122978 1068206338 /nfs/dbraw/zinc/20/63/38/1068206338.db2.gz PPUXQOHGFIGLRX-RBUKOAKNSA-N 1 1 455.607 3.194 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C(F)(F)F)O1 ZINC001305123538 1068208298 /nfs/dbraw/zinc/20/82/98/1068208298.db2.gz GVPVOSYFNZVHSS-IXDOHACOSA-N 1 1 495.550 3.202 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H](C)c1nccs1 ZINC001303678525 1068215999 /nfs/dbraw/zinc/21/59/99/1068215999.db2.gz MDFKYHCSGNGODG-KRWDZBQOSA-N 1 1 480.642 3.229 20 0 JGADMO COc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC001303679181 1068216720 /nfs/dbraw/zinc/21/67/20/1068216720.db2.gz VPBBHIPDRBINTA-BGYRXZFFSA-N 1 1 459.587 3.018 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001305131423 1068216742 /nfs/dbraw/zinc/21/67/42/1068216742.db2.gz CUVIMILPYNRPQQ-HOTGVXAUSA-N 1 1 453.429 3.390 20 0 JGADMO C[C@H](CN(C)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCOCC1)c1nccs1 ZINC001303682173 1068218512 /nfs/dbraw/zinc/21/85/12/1068218512.db2.gz CAIQGPMYPCYXAI-GOSISDBHSA-N 1 1 458.607 3.427 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305132801 1068218724 /nfs/dbraw/zinc/21/87/24/1068218724.db2.gz JVNPIBWWHDFCHQ-JTJHWIPRSA-N 1 1 461.582 3.018 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001305133582 1068220001 /nfs/dbraw/zinc/22/00/01/1068220001.db2.gz OYFXWSBFCKZRJO-HNNXBMFYSA-N 1 1 451.438 3.250 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Br)[N@@H+](C)C1CC1 ZINC001303683722 1068221451 /nfs/dbraw/zinc/22/14/51/1068221451.db2.gz DPZMGDBGXZNCBA-MRXNPFEDSA-N 1 1 475.435 3.396 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001305135076 1068222554 /nfs/dbraw/zinc/22/25/54/1068222554.db2.gz MZGRZVJCIAURTA-IBGZPJMESA-N 1 1 454.619 3.238 20 0 JGADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC001303687379 1068225198 /nfs/dbraw/zinc/22/51/98/1068225198.db2.gz JZGOYPRXZWATKY-ROUUACIJSA-N 1 1 480.654 3.142 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303691420 1068231376 /nfs/dbraw/zinc/23/13/76/1068231376.db2.gz DSZYENMBZINTRO-CVEARBPZSA-N 1 1 475.435 3.282 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CC(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303691423 1068231552 /nfs/dbraw/zinc/23/15/52/1068231552.db2.gz DSZYENMBZINTRO-HZPDHXFCSA-N 1 1 475.435 3.282 20 0 JGADMO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)NC(C)(C)C)[N@@H+](C)C1CC1 ZINC001303692305 1068233563 /nfs/dbraw/zinc/23/35/63/1068233563.db2.gz URGRHGVNGOTJRU-OAHLLOKOSA-N 1 1 464.561 3.380 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001305141739 1068237454 /nfs/dbraw/zinc/23/74/54/1068237454.db2.gz CZAKLBXVSXKBMJ-HUUCEWRRSA-N 1 1 470.437 3.105 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303695731 1068238476 /nfs/dbraw/zinc/23/84/76/1068238476.db2.gz JODHAMGCYXGRKX-OLZOCXBDSA-N 1 1 481.826 3.155 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001303699871 1068242556 /nfs/dbraw/zinc/24/25/56/1068242556.db2.gz MHHDWJMSUCRIEG-YESZJQIVSA-N 1 1 464.408 3.042 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)S1 ZINC001305143661 1068242902 /nfs/dbraw/zinc/24/29/02/1068242902.db2.gz VJFDOVVXFDYZBN-QEEYODRMSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)CC(C)(C)O1 ZINC001305144259 1068243816 /nfs/dbraw/zinc/24/38/16/1068243816.db2.gz OCUAMUKSUOQGLQ-SFHVURJKSA-N 1 1 475.659 3.227 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001303700700 1068243859 /nfs/dbraw/zinc/24/38/59/1068243859.db2.gz RYLZRRRLYZCEOP-OAHLLOKOSA-N 1 1 473.927 3.213 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N(C)c1ccccc1 ZINC001303702777 1068246307 /nfs/dbraw/zinc/24/63/07/1068246307.db2.gz DJPODEKAESOOPT-FDFHNCONSA-N 1 1 465.646 3.354 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N(C)c1ccccc1 ZINC001303702777 1068246313 /nfs/dbraw/zinc/24/63/13/1068246313.db2.gz DJPODEKAESOOPT-FDFHNCONSA-N 1 1 465.646 3.354 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N(C)c1ccccc1 ZINC001303702778 1068246350 /nfs/dbraw/zinc/24/63/50/1068246350.db2.gz DJPODEKAESOOPT-VSKRKVRLSA-N 1 1 465.646 3.354 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N(C)c1ccccc1 ZINC001303702778 1068246358 /nfs/dbraw/zinc/24/63/58/1068246358.db2.gz DJPODEKAESOOPT-VSKRKVRLSA-N 1 1 465.646 3.354 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001303703454 1068247620 /nfs/dbraw/zinc/24/76/20/1068247620.db2.gz QIBCANQGONZYIM-LJQANCHMSA-N 1 1 470.593 3.437 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001303703454 1068247629 /nfs/dbraw/zinc/24/76/29/1068247629.db2.gz QIBCANQGONZYIM-LJQANCHMSA-N 1 1 470.593 3.437 20 0 JGADMO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccc(F)cc1 ZINC001303706037 1068249942 /nfs/dbraw/zinc/24/99/42/1068249942.db2.gz RJWPUFYJNDBECG-SFHVURJKSA-N 1 1 456.566 3.427 20 0 JGADMO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccc(F)cc1 ZINC001303706037 1068249951 /nfs/dbraw/zinc/24/99/51/1068249951.db2.gz RJWPUFYJNDBECG-SFHVURJKSA-N 1 1 456.566 3.427 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303707278 1068252436 /nfs/dbraw/zinc/25/24/36/1068252436.db2.gz HTYRXJRVPZNZNM-GOSISDBHSA-N 1 1 486.665 3.245 20 0 JGADMO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001305149312 1068253279 /nfs/dbraw/zinc/25/32/79/1068253279.db2.gz BFGPBUWSXFCJIS-HZPDHXFCSA-N 1 1 482.398 3.183 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC001305150743 1068256465 /nfs/dbraw/zinc/25/64/65/1068256465.db2.gz BCGLYBQEDYHEFQ-CRAIPNDOSA-N 1 1 473.927 3.477 20 0 JGADMO C[C@@H](Cn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303712987 1068258270 /nfs/dbraw/zinc/25/82/70/1068258270.db2.gz NXWIAWVURFEKKX-UGKGYDQZSA-N 1 1 484.645 3.406 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[N@@H+](C)C1CC1 ZINC001303715596 1068262664 /nfs/dbraw/zinc/26/26/64/1068262664.db2.gz AESSBNGAGAOCFD-ROUUACIJSA-N 1 1 464.680 3.429 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C)S1 ZINC001305154899 1068263587 /nfs/dbraw/zinc/26/35/87/1068263587.db2.gz PHVGGIIOWGPBBT-STXHMFSFSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303717285 1068265737 /nfs/dbraw/zinc/26/57/37/1068265737.db2.gz LXSRXDYSFHYOOE-CEXWTWQISA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001305157103 1068265828 /nfs/dbraw/zinc/26/58/28/1068265828.db2.gz JQBNVRXIFKDVQY-TZIWHRDSSA-N 1 1 453.635 3.155 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)N(C)c1ccccc1 ZINC001303718093 1068266299 /nfs/dbraw/zinc/26/62/99/1068266299.db2.gz OKQFAYRWCQPTRO-PKTZIBPZSA-N 1 1 484.689 3.492 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303719598 1068268622 /nfs/dbraw/zinc/26/86/22/1068268622.db2.gz YNWVJYPAAWZFQB-QPPBQGQZSA-N 1 1 482.673 3.387 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305163796 1068273026 /nfs/dbraw/zinc/27/30/26/1068273026.db2.gz IMHHPLAJGGCURR-OALUTQOASA-N 1 1 484.649 3.207 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303723542 1068274486 /nfs/dbraw/zinc/27/44/86/1068274486.db2.gz TYMRQBJZEYBACN-PKOBYXMFSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303723542 1068274490 /nfs/dbraw/zinc/27/44/90/1068274490.db2.gz TYMRQBJZEYBACN-PKOBYXMFSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001303723686 1068274516 /nfs/dbraw/zinc/27/45/16/1068274516.db2.gz UPASAVNTAUBEPV-RTBURBONSA-N 1 1 464.655 3.348 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+](C)C2CCCCC2)CCN1CC(F)(F)F ZINC001305164700 1068274868 /nfs/dbraw/zinc/27/48/68/1068274868.db2.gz NCQMZQXFKIYVDJ-SFHVURJKSA-N 1 1 482.599 3.406 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303724323 1068276152 /nfs/dbraw/zinc/27/61/52/1068276152.db2.gz LTGKMSSDWSLYKJ-TZIWHRDSSA-N 1 1 461.676 3.401 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303724323 1068276158 /nfs/dbraw/zinc/27/61/58/1068276158.db2.gz LTGKMSSDWSLYKJ-TZIWHRDSSA-N 1 1 461.676 3.401 20 0 JGADMO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303726393 1068278664 /nfs/dbraw/zinc/27/86/64/1068278664.db2.gz CHANMQFWDTYQTM-SFHVURJKSA-N 1 1 456.610 3.185 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001305171545 1068283998 /nfs/dbraw/zinc/28/39/98/1068283998.db2.gz SEXUMERIFVOUNT-TZIWHRDSSA-N 1 1 476.666 3.228 20 0 JGADMO C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CC1 ZINC001303732557 1068288160 /nfs/dbraw/zinc/28/81/60/1068288160.db2.gz VDCNLYUHOYUPES-QGZVFWFLSA-N 1 1 473.668 3.453 20 0 JGADMO C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001303735199 1068292438 /nfs/dbraw/zinc/29/24/38/1068292438.db2.gz WFCJRNIKQJSKNN-NEKDWFFYSA-N 1 1 497.732 3.234 20 0 JGADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001303738303 1068297260 /nfs/dbraw/zinc/29/72/60/1068297260.db2.gz XDYKNHZWAVHAQH-GJZGRUSLSA-N 1 1 452.575 3.234 20 0 JGADMO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1Nc1cnn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC001303738641 1068298239 /nfs/dbraw/zinc/29/82/39/1068298239.db2.gz ZYFUVELOTUAPLD-QGZVFWFLSA-N 1 1 464.599 3.267 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001305185675 1068303663 /nfs/dbraw/zinc/30/36/63/1068303663.db2.gz NQFLIGNZOXQXFZ-KURKYZTESA-N 1 1 461.573 3.380 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303747616 1068309180 /nfs/dbraw/zinc/30/91/80/1068309180.db2.gz ZFCQOHHEUKCQDS-MLDBQTBOSA-N 1 1 482.673 3.419 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190135 1068310397 /nfs/dbraw/zinc/31/03/97/1068310397.db2.gz DWISRZFSVJUGFX-FXAWDEMLSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190135 1068310417 /nfs/dbraw/zinc/31/04/17/1068310417.db2.gz DWISRZFSVJUGFX-FXAWDEMLSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190135 1068310435 /nfs/dbraw/zinc/31/04/35/1068310435.db2.gz DWISRZFSVJUGFX-FXAWDEMLSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CC=CCC2)C[C@H](C(F)(F)F)O1 ZINC001305191750 1068314394 /nfs/dbraw/zinc/31/43/94/1068314394.db2.gz MBVZFRRERAVVCW-QFBILLFUSA-N 1 1 453.484 3.426 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CCN1CC(F)(F)F ZINC001305193174 1068316553 /nfs/dbraw/zinc/31/65/53/1068316553.db2.gz SXHSVCHPJHALIO-GOSISDBHSA-N 1 1 498.569 3.192 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CCN1CC(F)(F)F ZINC001305193174 1068316569 /nfs/dbraw/zinc/31/65/69/1068316569.db2.gz SXHSVCHPJHALIO-GOSISDBHSA-N 1 1 498.569 3.192 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC001303757696 1068321243 /nfs/dbraw/zinc/32/12/43/1068321243.db2.gz YERMOUZRSOSRGP-GOSISDBHSA-N 1 1 494.562 3.138 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC001303758628 1068321620 /nfs/dbraw/zinc/32/16/20/1068321620.db2.gz DXPCVACFXFHYRL-HKUYNNGSSA-N 1 1 478.435 3.149 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC001303758629 1068321945 /nfs/dbraw/zinc/32/19/45/1068321945.db2.gz DXPCVACFXFHYRL-IEBWSBKVSA-N 1 1 478.435 3.149 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001303759568 1068324553 /nfs/dbraw/zinc/32/45/53/1068324553.db2.gz SLNMTHPYKOADPZ-CLAROIROSA-N 1 1 490.693 3.453 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303759767 1068325468 /nfs/dbraw/zinc/32/54/68/1068325468.db2.gz DERYXJARHRFCOU-PMACEKPBSA-N 1 1 499.660 3.190 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC001303761146 1068328747 /nfs/dbraw/zinc/32/87/47/1068328747.db2.gz ZXNGCOKRCCWACD-IEBWSBKVSA-N 1 1 467.536 3.406 20 0 JGADMO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCCC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001305204447 1068329468 /nfs/dbraw/zinc/32/94/68/1068329468.db2.gz RCTZHFVIYRGFBB-OAQYLSRUSA-N 1 1 468.646 3.079 20 0 JGADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCCC(C)(C)C2)CCCO1 ZINC001305206468 1068332698 /nfs/dbraw/zinc/33/26/98/1068332698.db2.gz AYRPCCALVSDVJX-SFHVURJKSA-N 1 1 460.648 3.007 20 0 JGADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303764218 1068333918 /nfs/dbraw/zinc/33/39/18/1068333918.db2.gz RQCJBHDJQLBIJR-KNQAVFIVSA-N 1 1 475.609 3.216 20 0 JGADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001305207450 1068335031 /nfs/dbraw/zinc/33/50/31/1068335031.db2.gz GCAHJAWVKJHMHT-OALUTQOASA-N 1 1 468.627 3.015 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)O)C[C@H]1[NH+]1CCOCC1 ZINC001305207483 1068335278 /nfs/dbraw/zinc/33/52/78/1068335278.db2.gz VKVKVOHFTPOCBG-DENIHFKCSA-N 1 1 471.646 3.082 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)O)C[C@@H]1[NH+]1CCOCC1 ZINC001305207487 1068335411 /nfs/dbraw/zinc/33/54/11/1068335411.db2.gz VKVKVOHFTPOCBG-UGKGYDQZSA-N 1 1 471.646 3.082 20 0 JGADMO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001303764970 1068335538 /nfs/dbraw/zinc/33/55/38/1068335538.db2.gz WNHXLFPWJVIJLB-QRVBRYPASA-N 1 1 464.010 3.092 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001305208150 1068336658 /nfs/dbraw/zinc/33/66/58/1068336658.db2.gz HWQGXDCAGNFLLB-PKOBYXMFSA-N 1 1 460.648 3.004 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303765999 1068337289 /nfs/dbraw/zinc/33/72/89/1068337289.db2.gz OUCUQAXMSPTIOQ-HSALFYBXSA-N 1 1 462.639 3.007 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303765997 1068337570 /nfs/dbraw/zinc/33/75/70/1068337570.db2.gz OUCUQAXMSPTIOQ-AABGKKOBSA-N 1 1 462.639 3.007 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303767723 1068340073 /nfs/dbraw/zinc/34/00/73/1068340073.db2.gz BISROJHMSCVAND-JTHBVZDNSA-N 1 1 498.672 3.135 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303767723 1068340090 /nfs/dbraw/zinc/34/00/90/1068340090.db2.gz BISROJHMSCVAND-JTHBVZDNSA-N 1 1 498.672 3.135 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303767722 1068340147 /nfs/dbraw/zinc/34/01/47/1068340147.db2.gz BISROJHMSCVAND-GMAHTHKFSA-N 1 1 498.672 3.135 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303767722 1068340166 /nfs/dbraw/zinc/34/01/66/1068340166.db2.gz BISROJHMSCVAND-GMAHTHKFSA-N 1 1 498.672 3.135 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCCO1 ZINC001305210602 1068340176 /nfs/dbraw/zinc/34/01/76/1068340176.db2.gz CWFUHNUWIBNUOM-TZIWHRDSSA-N 1 1 478.037 3.363 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303767720 1068340235 /nfs/dbraw/zinc/34/02/35/1068340235.db2.gz BISROJHMSCVAND-FYYLOGMGSA-N 1 1 498.672 3.135 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303767720 1068340250 /nfs/dbraw/zinc/34/02/50/1068340250.db2.gz BISROJHMSCVAND-FYYLOGMGSA-N 1 1 498.672 3.135 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCCO1 ZINC001305210601 1068340243 /nfs/dbraw/zinc/34/02/43/1068340243.db2.gz CWFUHNUWIBNUOM-PZJWPPBQSA-N 1 1 478.037 3.363 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCCO1 ZINC001305210600 1068340369 /nfs/dbraw/zinc/34/03/69/1068340369.db2.gz CWFUHNUWIBNUOM-FPOVZHCZSA-N 1 1 478.037 3.363 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303769989 1068343302 /nfs/dbraw/zinc/34/33/02/1068343302.db2.gz UTSXURQGHJRRQS-RBBKRZOGSA-N 1 1 490.693 3.473 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001303770671 1068344828 /nfs/dbraw/zinc/34/48/28/1068344828.db2.gz AXBIWGRXXAGQTA-HUUCEWRRSA-N 1 1 480.997 3.066 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001305214241 1068347333 /nfs/dbraw/zinc/34/73/33/1068347333.db2.gz CGVNGTFZMSRFMK-FHAGJXEFSA-N 1 1 475.609 3.499 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)CC(C)(C)O1 ZINC001305216001 1068351405 /nfs/dbraw/zinc/35/14/05/1068351405.db2.gz PWDVMSVPRRTYSG-SFHVURJKSA-N 1 1 461.582 3.111 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305217103 1068352960 /nfs/dbraw/zinc/35/29/60/1068352960.db2.gz PHGGHHXYTBSWGY-JSXRDJHFSA-N 1 1 465.708 3.495 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001305218136 1068354936 /nfs/dbraw/zinc/35/49/36/1068354936.db2.gz XEZLLVXIFYIYSO-CRAIPNDOSA-N 1 1 459.488 3.492 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001303777117 1068355048 /nfs/dbraw/zinc/35/50/48/1068355048.db2.gz DOYXXUYNEISNSG-SFHVURJKSA-N 1 1 471.737 3.098 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001303779199 1068356809 /nfs/dbraw/zinc/35/68/09/1068356809.db2.gz PUOFOJHZCLTLJH-LJQANCHMSA-N 1 1 459.660 3.253 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001303779199 1068356821 /nfs/dbraw/zinc/35/68/21/1068356821.db2.gz PUOFOJHZCLTLJH-LJQANCHMSA-N 1 1 459.660 3.253 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CC(C)(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001305220416 1068357588 /nfs/dbraw/zinc/35/75/88/1068357588.db2.gz FSFLWLHLYCKIHB-AZUAARDMSA-N 1 1 459.660 3.186 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001305220836 1068358715 /nfs/dbraw/zinc/35/87/15/1068358715.db2.gz HDNITARTPHXACG-QHCPKHFHSA-N 1 1 496.700 3.305 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C ZINC001305221526 1068360280 /nfs/dbraw/zinc/36/02/80/1068360280.db2.gz HYGWRGLZCAKQNP-MTQWCTHYSA-N 1 1 481.707 3.083 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)O ZINC001305222049 1068361645 /nfs/dbraw/zinc/36/16/45/1068361645.db2.gz MHRYVPLIVULDQO-ZFWWWQNUSA-N 1 1 452.372 3.291 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305222541 1068362672 /nfs/dbraw/zinc/36/26/72/1068362672.db2.gz PHHPXKCPROEXFN-RBUKOAKNSA-N 1 1 490.599 3.377 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001305222714 1068363577 /nfs/dbraw/zinc/36/35/77/1068363577.db2.gz QFIQVCWYJKUTIP-CDJZJNNCSA-N 1 1 463.667 3.311 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001305222716 1068363683 /nfs/dbraw/zinc/36/36/83/1068363683.db2.gz QFIQVCWYJKUTIP-QMCAAQAGSA-N 1 1 463.667 3.311 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CCC[C@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224664 1068367524 /nfs/dbraw/zinc/36/75/24/1068367524.db2.gz YLUIUKHIWGVAAW-PMACEKPBSA-N 1 1 462.683 3.208 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305225197 1068368858 /nfs/dbraw/zinc/36/88/58/1068368858.db2.gz UBQNUNBFNRMQDV-MOPGFXCFSA-N 1 1 455.607 3.270 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305225204 1068369561 /nfs/dbraw/zinc/36/95/61/1068369561.db2.gz UBQNUNBFNRMQDV-RBUKOAKNSA-N 1 1 455.607 3.270 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCOCCCO ZINC001305225521 1068369812 /nfs/dbraw/zinc/36/98/12/1068369812.db2.gz UZFXMFQCSVTBEO-FUHWJXTLSA-N 1 1 484.428 3.236 20 0 JGADMO C[C@H]1COCCN1c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305227946 1068373017 /nfs/dbraw/zinc/37/30/17/1068373017.db2.gz JCFHOEHQSGJWJH-INIZCTEOSA-N 1 1 464.408 3.044 20 0 JGADMO C[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305229239 1068373865 /nfs/dbraw/zinc/37/38/65/1068373865.db2.gz QNBXLXGHYSFQSP-RTBURBONSA-N 1 1 474.675 3.253 20 0 JGADMO C[C@H](N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1)C(F)(F)F ZINC001303793049 1068377802 /nfs/dbraw/zinc/37/78/02/1068377802.db2.gz NVNUYFSVAYQTCI-SFHVURJKSA-N 1 1 498.569 3.192 20 0 JGADMO C[C@H](N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1)C(F)(F)F ZINC001303793049 1068377817 /nfs/dbraw/zinc/37/78/17/1068377817.db2.gz NVNUYFSVAYQTCI-SFHVURJKSA-N 1 1 498.569 3.192 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC[C@H]2C)CC1)C(F)(F)F ZINC001305233442 1068380042 /nfs/dbraw/zinc/38/00/42/1068380042.db2.gz BQCRJTLMCATITJ-IAGOWNOFSA-N 1 1 486.970 3.392 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC[C@H]2C)CC1)C(F)(F)F ZINC001305233442 1068380056 /nfs/dbraw/zinc/38/00/56/1068380056.db2.gz BQCRJTLMCATITJ-IAGOWNOFSA-N 1 1 486.970 3.392 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC[C@H]2C)CC1)C(F)(F)F ZINC001305233447 1068380126 /nfs/dbraw/zinc/38/01/26/1068380126.db2.gz BQCRJTLMCATITJ-SJORKVTESA-N 1 1 486.970 3.392 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC[C@H]2C)CC1)C(F)(F)F ZINC001305233447 1068380146 /nfs/dbraw/zinc/38/01/46/1068380146.db2.gz BQCRJTLMCATITJ-SJORKVTESA-N 1 1 486.970 3.392 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001305234053 1068381799 /nfs/dbraw/zinc/38/17/99/1068381799.db2.gz KGSDXZGWOQBLPU-AWEZNQCLSA-N 1 1 467.521 3.173 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001305234053 1068381817 /nfs/dbraw/zinc/38/18/17/1068381817.db2.gz KGSDXZGWOQBLPU-AWEZNQCLSA-N 1 1 467.521 3.173 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001305235036 1068385505 /nfs/dbraw/zinc/38/55/05/1068385505.db2.gz ZRWQDTKPWFPGKS-QGZVFWFLSA-N 1 1 463.026 3.498 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001305235036 1068385524 /nfs/dbraw/zinc/38/55/24/1068385524.db2.gz ZRWQDTKPWFPGKS-QGZVFWFLSA-N 1 1 463.026 3.498 20 0 JGADMO CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001303798374 1068390045 /nfs/dbraw/zinc/39/00/45/1068390045.db2.gz ANSBBSWFXNOYBP-BCMGTOKDSA-N 1 1 451.567 3.137 20 0 JGADMO C[C@H]1CSCCN1c1nnc(COc2ccccc2F)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305241075 1068391167 /nfs/dbraw/zinc/39/11/67/1068391167.db2.gz WLNDICRZZDNZMK-IBGZPJMESA-N 1 1 476.666 3.212 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001305241678 1068392227 /nfs/dbraw/zinc/39/22/27/1068392227.db2.gz ZKMHVLPWTXSOIL-JOCHJYFZSA-N 1 1 485.746 3.172 20 0 JGADMO C[C@@H]1N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCC2)CCOC1(C)C ZINC001305241516 1068392370 /nfs/dbraw/zinc/39/23/70/1068392370.db2.gz FIBUQSLCUXRXGZ-KRWDZBQOSA-N 1 1 460.648 3.148 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303801284 1068396777 /nfs/dbraw/zinc/39/67/77/1068396777.db2.gz VIOJSEOTOUWPAX-WOJBJXKFSA-N 1 1 482.633 3.127 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001303801513 1068397794 /nfs/dbraw/zinc/39/77/94/1068397794.db2.gz WVJCGMYYXOZPHL-TYPHKJRUSA-N 1 1 476.666 3.132 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC[N@@H+](C)C1CCCCC1 ZINC001303805485 1068408029 /nfs/dbraw/zinc/40/80/29/1068408029.db2.gz DMPVGPKHPZYCQO-AVRDEDQJSA-N 1 1 474.675 3.277 20 0 JGADMO C[C@@H]1SCCN(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC001305250419 1068409340 /nfs/dbraw/zinc/40/93/40/1068409340.db2.gz AMKVERIYSQXEDK-ZJOUEHCJSA-N 1 1 450.697 3.124 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303808187 1068414203 /nfs/dbraw/zinc/41/42/03/1068414203.db2.gz CJALGENAIVKGDX-IBGZPJMESA-N 1 1 499.685 3.195 20 0 JGADMO C[C@H]1SCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)[C@@H]1C ZINC001305256972 1068419866 /nfs/dbraw/zinc/41/98/66/1068419866.db2.gz ILGQTSKJKACMFQ-QZTJIDSGSA-N 1 1 460.623 3.002 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305258160 1068423230 /nfs/dbraw/zinc/42/32/30/1068423230.db2.gz SZQXRRLSLNIVPC-RYRKJORJSA-N 1 1 451.040 3.171 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305258955 1068424934 /nfs/dbraw/zinc/42/49/34/1068424934.db2.gz YDRCIBFBRHHSGC-PMPSAXMXSA-N 1 1 483.480 3.097 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001305261972 1068432013 /nfs/dbraw/zinc/43/20/13/1068432013.db2.gz FUTUHAZZMXBINK-VQTJNVASSA-N 1 1 488.080 3.120 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305262244 1068432852 /nfs/dbraw/zinc/43/28/52/1068432852.db2.gz AUTHTJBZIPHJMT-ISKFKSNPSA-N 1 1 498.672 3.017 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305263405 1068437238 /nfs/dbraw/zinc/43/72/38/1068437238.db2.gz CQCSYDRNKMBLRI-GGAORHGYSA-N 1 1 467.662 3.271 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001305265296 1068444831 /nfs/dbraw/zinc/44/48/31/1068444831.db2.gz PDTXIZYYIJPDHR-FCHUYYIVSA-N 1 1 489.064 3.450 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303828489 1068449747 /nfs/dbraw/zinc/44/97/47/1068449747.db2.gz AUQFUWPRCGLZJE-FPOVZHCZSA-N 1 1 474.675 3.147 20 0 JGADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303829254 1068452246 /nfs/dbraw/zinc/45/22/46/1068452246.db2.gz RDSKSBHJEVIOLO-MOPGFXCFSA-N 1 1 462.664 3.035 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303830939 1068455436 /nfs/dbraw/zinc/45/54/36/1068455436.db2.gz MQPYVZOJQHDPJQ-DDTUGOMQSA-N 1 1 488.702 3.424 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303832196 1068457799 /nfs/dbraw/zinc/45/77/99/1068457799.db2.gz UZQBONJIYSFLTE-RTBURBONSA-N 1 1 466.696 3.027 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1=CCCCC1 ZINC001303832174 1068457831 /nfs/dbraw/zinc/45/78/31/1068457831.db2.gz ULFNULYTDSJLPU-NHCUHLMSSA-N 1 1 486.686 3.490 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001305268538 1068457818 /nfs/dbraw/zinc/45/78/18/1068457818.db2.gz NGLCBDBSRUKMOE-LJQANCHMSA-N 1 1 472.609 3.366 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3cccc(F)c3)C2)C1 ZINC001303832695 1068459285 /nfs/dbraw/zinc/45/92/85/1068459285.db2.gz YUKXNIHBVAQWMN-ZJOUEHCJSA-N 1 1 492.665 3.142 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305269214 1068460727 /nfs/dbraw/zinc/46/07/27/1068460727.db2.gz UBYYPFWWVHUYQO-SFHVURJKSA-N 1 1 493.027 3.343 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305269214 1068460731 /nfs/dbraw/zinc/46/07/31/1068460731.db2.gz UBYYPFWWVHUYQO-SFHVURJKSA-N 1 1 493.027 3.343 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CCC1CC1 ZINC001303835132 1068464096 /nfs/dbraw/zinc/46/40/96/1068464096.db2.gz WGILODNGJOHFOS-OALUTQOASA-N 1 1 466.696 3.169 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303843149 1068472905 /nfs/dbraw/zinc/47/29/05/1068472905.db2.gz VJEGPTACNRMZGP-PMACEKPBSA-N 1 1 466.696 3.313 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305276470 1068478020 /nfs/dbraw/zinc/47/80/20/1068478020.db2.gz IIWPYMXMTFSONX-YYTDSSBASA-N 1 1 474.694 3.424 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1ccsc1 ZINC001303848727 1068482910 /nfs/dbraw/zinc/48/29/10/1068482910.db2.gz JJOSCHIGOMOHPM-IRFCIJBXSA-N 1 1 494.731 3.283 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1ccsc1 ZINC001303848729 1068483043 /nfs/dbraw/zinc/48/30/43/1068483043.db2.gz JJOSCHIGOMOHPM-ZJOUEHCJSA-N 1 1 494.731 3.283 20 0 JGADMO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305284166 1068485383 /nfs/dbraw/zinc/48/53/83/1068485383.db2.gz BNSPGCPLQPHLNX-WOJBJXKFSA-N 1 1 457.619 3.459 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1CC[N@@H+](C)C1CCCC1 ZINC001303853149 1068493071 /nfs/dbraw/zinc/49/30/71/1068493071.db2.gz NZSMRGWOAPUASD-GHTZIAJQSA-N 1 1 460.648 3.104 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001305292001 1068495419 /nfs/dbraw/zinc/49/54/19/1068495419.db2.gz DDRJCAGWQLXZKU-FCHUYYIVSA-N 1 1 451.974 3.200 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H]1CCCC1(C)C ZINC001303864979 1068502064 /nfs/dbraw/zinc/50/20/64/1068502064.db2.gz KILPJDSJWVSWKY-UYAOXDASSA-N 1 1 492.665 3.176 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297205 1068504546 /nfs/dbraw/zinc/50/45/46/1068504546.db2.gz HICRTEHXFPHGNA-CEYNDMKZSA-N 1 1 452.603 3.200 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297205 1068504556 /nfs/dbraw/zinc/50/45/56/1068504556.db2.gz HICRTEHXFPHGNA-CEYNDMKZSA-N 1 1 452.603 3.200 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001305303321 1068512415 /nfs/dbraw/zinc/51/24/15/1068512415.db2.gz VPMYOLPPUJDYAP-NIRIFSCTSA-N 1 1 451.619 3.359 20 0 JGADMO CC[C@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305308316 1068516336 /nfs/dbraw/zinc/51/63/36/1068516336.db2.gz DXAPYBFWRHJRBN-VWLOTQADSA-N 1 1 483.686 3.486 20 0 JGADMO C[C@@H](O)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001303889565 1068527745 /nfs/dbraw/zinc/52/77/45/1068527745.db2.gz DOAAPSUWUDJAGH-NFBKMPQASA-N 1 1 471.646 3.416 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001305314762 1068528385 /nfs/dbraw/zinc/52/83/85/1068528385.db2.gz QHRYVWQSZJAWHS-ISJBWFOZSA-N 1 1 470.662 3.314 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCSCCCO ZINC001303895838 1068534394 /nfs/dbraw/zinc/53/43/94/1068534394.db2.gz SRJHGPHIWPUCEC-CMKODMSKSA-N 1 1 463.623 3.346 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303896214 1068535454 /nfs/dbraw/zinc/53/54/54/1068535454.db2.gz YPQJREBUTOABOX-QZTJIDSGSA-N 1 1 458.582 3.133 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cnnn1C ZINC001303899000 1068541118 /nfs/dbraw/zinc/54/11/18/1068541118.db2.gz STQKBXJLSLNBKY-KRWDZBQOSA-N 1 1 456.570 3.045 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001303900048 1068543367 /nfs/dbraw/zinc/54/33/67/1068543367.db2.gz XTUCSUAJKZZOSO-DVECYGJZSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCS(C)(=O)=O ZINC001303900118 1068543425 /nfs/dbraw/zinc/54/34/25/1068543425.db2.gz YGIMXMBMFBENRM-SFHVURJKSA-N 1 1 481.638 3.303 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001305325405 1068546595 /nfs/dbraw/zinc/54/65/95/1068546595.db2.gz FBGBXHYDTDOUSL-MCEYFSPLSA-N 1 1 471.646 3.170 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305326808 1068549185 /nfs/dbraw/zinc/54/91/85/1068549185.db2.gz ZKIPLALKVCNNIP-UFXZXOMWSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001305329529 1068554228 /nfs/dbraw/zinc/55/42/28/1068554228.db2.gz HGCJJJGSVFRBCW-IQGLISFBSA-N 1 1 467.618 3.312 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305330020 1068555234 /nfs/dbraw/zinc/55/52/34/1068555234.db2.gz UHYVGNJBDFCKSI-NBGIEHNGSA-N 1 1 451.619 3.188 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305330601 1068556315 /nfs/dbraw/zinc/55/63/15/1068556315.db2.gz SFJVJIFZJFMUTO-VUTAGKHMSA-N 1 1 495.734 3.068 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCC(=O)N(C)C ZINC001303910015 1068557802 /nfs/dbraw/zinc/55/78/02/1068557802.db2.gz LLSPZZGLGPKLKL-ZIFCJYIRSA-N 1 1 461.010 3.223 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303910844 1068559037 /nfs/dbraw/zinc/55/90/37/1068559037.db2.gz HWVCAJXVNUIQRX-BZSNNMDCSA-N 1 1 461.010 3.258 20 0 JGADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303910847 1068559061 /nfs/dbraw/zinc/55/90/61/1068559061.db2.gz HWVCAJXVNUIQRX-KSZLIROESA-N 1 1 461.010 3.258 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001305332022 1068560211 /nfs/dbraw/zinc/56/02/11/1068560211.db2.gz XVRDNLLJHUZKKK-BVZFJXPGSA-N 1 1 474.650 3.360 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305333961 1068563605 /nfs/dbraw/zinc/56/36/05/1068563605.db2.gz KLIAQZLFRRWVTO-XXAUWVGASA-N 1 1 485.673 3.386 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[NH+]1CCCCC1 ZINC001303915121 1068565979 /nfs/dbraw/zinc/56/59/79/1068565979.db2.gz LWUSFCDIBUOWHP-QYZOEREBSA-N 1 1 481.638 3.301 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305335418 1068566511 /nfs/dbraw/zinc/56/65/11/1068566511.db2.gz WGFPXWNZBMDPCT-BLJFENDVSA-N 1 1 468.646 3.127 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001305335675 1068567128 /nfs/dbraw/zinc/56/71/28/1068567128.db2.gz RFYNYWXGAAVNEQ-VRUMLPLGSA-N 1 1 471.646 3.121 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303918180 1068570124 /nfs/dbraw/zinc/57/01/24/1068570124.db2.gz XGJMQNPJSPTHGV-MWTRTKDXSA-N 1 1 474.968 3.309 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001303918404 1068570240 /nfs/dbraw/zinc/57/02/40/1068570240.db2.gz YZRCJZSMZQNSRB-QZTJIDSGSA-N 1 1 483.592 3.367 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001305337568 1068570499 /nfs/dbraw/zinc/57/04/99/1068570499.db2.gz WUTCYONCMMFKOG-BCQCSXDESA-N 1 1 482.673 3.298 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303921752 1068573199 /nfs/dbraw/zinc/57/31/99/1068573199.db2.gz FOMOOPDVAPPMPS-XDHUDOTRSA-N 1 1 458.582 3.133 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001303922409 1068573992 /nfs/dbraw/zinc/57/39/92/1068573992.db2.gz JBKUNMRCZNCALQ-QGZVFWFLSA-N 1 1 458.582 3.133 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305339715 1068574832 /nfs/dbraw/zinc/57/48/32/1068574832.db2.gz KIDYYRQKILZOBZ-KPOMPZIKSA-N 1 1 477.694 3.426 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303924720 1068579750 /nfs/dbraw/zinc/57/97/50/1068579750.db2.gz WSKPPCJTTVGBEG-RBUKOAKNSA-N 1 1 472.609 3.489 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303924967 1068580576 /nfs/dbraw/zinc/58/05/76/1068580576.db2.gz XILVYXMTVUMKTF-YCRPNKLZSA-N 1 1 471.499 3.403 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001303925926 1068582497 /nfs/dbraw/zinc/58/24/97/1068582497.db2.gz FVQKLSGFNOUUJZ-GOSISDBHSA-N 1 1 498.607 3.021 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC(=O)N(C)C ZINC001303926425 1068584558 /nfs/dbraw/zinc/58/45/58/1068584558.db2.gz LEQCJSRVULROGZ-GOSISDBHSA-N 1 1 458.582 3.100 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)OC ZINC001305345726 1068585116 /nfs/dbraw/zinc/58/51/16/1068585116.db2.gz DKGDEZRSSUXTCW-JEEBJRHZSA-N 1 1 475.659 3.083 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001305346822 1068587010 /nfs/dbraw/zinc/58/70/10/1068587010.db2.gz HDHUSNDEBZSIBM-JTJYXVOQSA-N 1 1 457.619 3.316 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001305346824 1068587130 /nfs/dbraw/zinc/58/71/30/1068587130.db2.gz HDHUSNDEBZSIBM-SWHJIRTISA-N 1 1 457.619 3.316 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCC(F)(F)F ZINC001303931500 1068588677 /nfs/dbraw/zinc/58/86/77/1068588677.db2.gz DVINQIHGTPNAHS-CVEARBPZSA-N 1 1 457.472 3.421 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCC(F)(F)F ZINC001303931500 1068588693 /nfs/dbraw/zinc/58/86/93/1068588693.db2.gz DVINQIHGTPNAHS-CVEARBPZSA-N 1 1 457.472 3.421 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCC(=O)N(C)C ZINC001303931610 1068589161 /nfs/dbraw/zinc/58/91/61/1068589161.db2.gz GXZWLHRWBBJCTQ-MOPGFXCFSA-N 1 1 458.582 3.100 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303931836 1068589815 /nfs/dbraw/zinc/58/98/15/1068589815.db2.gz KORWVBMTQNTDNS-PMACEKPBSA-N 1 1 472.609 3.490 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)OC ZINC001305348299 1068590105 /nfs/dbraw/zinc/59/01/05/1068590105.db2.gz AFZPCUKDLUISGE-LBVMUVSTSA-N 1 1 484.645 3.182 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCS(C)(=O)=O ZINC001303932461 1068591344 /nfs/dbraw/zinc/59/13/44/1068591344.db2.gz ULKSEICBJMUICX-LJQANCHMSA-N 1 1 493.649 3.447 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)OC ZINC001305348971 1068592085 /nfs/dbraw/zinc/59/20/85/1068592085.db2.gz FHGXNOOCGRTWPV-URXFXBBRSA-N 1 1 497.688 3.172 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001305354774 1068602672 /nfs/dbraw/zinc/60/26/72/1068602672.db2.gz TUZOMBXUMXYWCB-ILWGZMRPSA-N 1 1 454.619 3.003 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001305373526 1068628125 /nfs/dbraw/zinc/62/81/25/1068628125.db2.gz FWJOETOJAYTZRB-CZTZKLFOSA-N 1 1 475.659 3.261 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ncnn1-c1ccccc1 ZINC001305374495 1068628711 /nfs/dbraw/zinc/62/87/11/1068628711.db2.gz FCAXSKBUFHWXJD-HXUWFJFHSA-N 1 1 466.634 3.215 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC001305396856 1068639610 /nfs/dbraw/zinc/63/96/10/1068639610.db2.gz DHAPKEXNXDNZTD-LNRXMEIDSA-N 1 1 485.677 3.005 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC001305396856 1068639615 /nfs/dbraw/zinc/63/96/15/1068639615.db2.gz DHAPKEXNXDNZTD-LNRXMEIDSA-N 1 1 485.677 3.005 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305398451 1068640765 /nfs/dbraw/zinc/64/07/65/1068640765.db2.gz MBUOTZGYVTUUGQ-INIZCTEOSA-N 1 1 484.571 3.260 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305398451 1068640769 /nfs/dbraw/zinc/64/07/69/1068640769.db2.gz MBUOTZGYVTUUGQ-INIZCTEOSA-N 1 1 484.571 3.260 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 ZINC001305398444 1068640864 /nfs/dbraw/zinc/64/08/64/1068640864.db2.gz MANZGWQNGNQJEC-AHCIIZGASA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 ZINC001305398444 1068640869 /nfs/dbraw/zinc/64/08/69/1068640869.db2.gz MANZGWQNGNQJEC-AHCIIZGASA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001305399382 1068641502 /nfs/dbraw/zinc/64/15/02/1068641502.db2.gz FKGYMTYKRCVAHF-KNQAVFIVSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001305399382 1068641509 /nfs/dbraw/zinc/64/15/09/1068641509.db2.gz FKGYMTYKRCVAHF-KNQAVFIVSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001305401945 1068643571 /nfs/dbraw/zinc/64/35/71/1068643571.db2.gz SSGQDCVWNJFYMD-MDNUFGMLSA-N 1 1 473.687 3.370 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)Cc2cnn(C)c2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305402130 1068643633 /nfs/dbraw/zinc/64/36/33/1068643633.db2.gz FFDWEKPMJZHIKH-AUSIDOKSSA-N 1 1 451.619 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)CCS(C)(=O)=O)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001305405140 1068644894 /nfs/dbraw/zinc/64/48/94/1068644894.db2.gz REPBQEIAFCSYCV-IBGZPJMESA-N 1 1 461.676 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)CCS(C)(=O)=O)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001305405140 1068644901 /nfs/dbraw/zinc/64/49/01/1068644901.db2.gz REPBQEIAFCSYCV-IBGZPJMESA-N 1 1 461.676 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1cc(C)nn1C ZINC001305406222 1068645588 /nfs/dbraw/zinc/64/55/88/1068645588.db2.gz VKEAURIDRNUPPC-LQBOVUBWSA-N 1 1 453.639 3.135 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ncnn1C(C)(C)C ZINC001305406230 1068645769 /nfs/dbraw/zinc/64/57/69/1068645769.db2.gz VMFLHYQWMOIQJS-XQBPLPMBSA-N 1 1 482.681 3.439 20 0 JGADMO CC[C@@H](C)c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001305406736 1068646082 /nfs/dbraw/zinc/64/60/82/1068646082.db2.gz KGKYUKQBARCZKL-MJGOQNOKSA-N 1 1 455.632 3.455 20 0 JGADMO CC[C@H](C)c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001305406737 1068646170 /nfs/dbraw/zinc/64/61/70/1068646170.db2.gz KGKYUKQBARCZKL-PKOBYXMFSA-N 1 1 455.632 3.455 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001305407978 1068646876 /nfs/dbraw/zinc/64/68/76/1068646876.db2.gz BHSMOKQTRHSPKL-ITTUMRLJSA-N 1 1 460.667 3.176 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCc1ccccc1 ZINC001305410402 1068648719 /nfs/dbraw/zinc/64/87/19/1068648719.db2.gz HDLBYQLCSSALCR-AWRGLXIESA-N 1 1 452.647 3.413 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)c1ccccn1 ZINC001305411193 1068650071 /nfs/dbraw/zinc/65/00/71/1068650071.db2.gz JECNDLGYRZKWIP-ONTIZHBOSA-N 1 1 467.662 3.153 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(F)c(C)c1 ZINC001305412969 1068651336 /nfs/dbraw/zinc/65/13/36/1068651336.db2.gz RVYVMBOVXWRTJC-GEQKSPFYSA-N 1 1 456.610 3.276 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305414809 1068653185 /nfs/dbraw/zinc/65/31/85/1068653185.db2.gz SAAUDZFXBDNNNL-TUFLPTIASA-N 1 1 477.698 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001305422411 1068657595 /nfs/dbraw/zinc/65/75/95/1068657595.db2.gz QSKHWEKAVPDZNY-XSDIEEQYSA-N 1 1 478.682 3.499 20 0 JGADMO CC[C@@H](C)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305424129 1068659496 /nfs/dbraw/zinc/65/94/96/1068659496.db2.gz ZFEGQJDKWCLBGS-NHCUHLMSSA-N 1 1 455.651 3.403 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305426269 1068662977 /nfs/dbraw/zinc/66/29/77/1068662977.db2.gz NCTKSGREDZABQT-PCCBWWKXSA-N 1 1 462.683 3.374 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305427263 1068665280 /nfs/dbraw/zinc/66/52/80/1068665280.db2.gz UHCSSXKNFZIULO-LEWJYISDSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305427842 1068666132 /nfs/dbraw/zinc/66/61/32/1068666132.db2.gz YZLZZPGYTXWLAK-FYYLOGMGSA-N 1 1 474.694 3.377 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305434033 1068671418 /nfs/dbraw/zinc/67/14/18/1068671418.db2.gz GJHPVCAEUHWWFW-VOIUYBSRSA-N 1 1 453.566 3.436 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305438460 1068673957 /nfs/dbraw/zinc/67/39/57/1068673957.db2.gz GQSRREHDFMRJOC-MIZPHKNDSA-N 1 1 495.672 3.469 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305449267 1068683424 /nfs/dbraw/zinc/68/34/24/1068683424.db2.gz JBWLMWDJAPZWMS-MOPGFXCFSA-N 1 1 468.712 3.162 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305449271 1068683456 /nfs/dbraw/zinc/68/34/56/1068683456.db2.gz JBWLMWDJAPZWMS-RBUKOAKNSA-N 1 1 468.712 3.162 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001305453505 1068690739 /nfs/dbraw/zinc/69/07/39/1068690739.db2.gz BEZPPAIYVPRRFQ-INIZCTEOSA-N 1 1 459.561 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305454679 1068692642 /nfs/dbraw/zinc/69/26/42/1068692642.db2.gz JCVNDLWTPRKFHJ-AVRDEDQJSA-N 1 1 486.661 3.247 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305454881 1068693980 /nfs/dbraw/zinc/69/39/80/1068693980.db2.gz ASXSVVIBQCJKIY-UYAOXDASSA-N 1 1 495.594 3.392 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305455922 1068694605 /nfs/dbraw/zinc/69/46/05/1068694605.db2.gz CXJFWAHMTHUAFF-OAQYLSRUSA-N 1 1 473.710 3.047 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCc1c[nH]nc1C ZINC001305455970 1068694647 /nfs/dbraw/zinc/69/46/47/1068694647.db2.gz CYCKECFIWKNYRD-HXUWFJFHSA-N 1 1 456.683 3.451 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001305456580 1068696535 /nfs/dbraw/zinc/69/65/35/1068696535.db2.gz GKANPYMVWKKJNU-ROUUACIJSA-N 1 1 460.696 3.205 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305456549 1068696554 /nfs/dbraw/zinc/69/65/54/1068696554.db2.gz GBEOVJOZTWDZLQ-MJGOQNOKSA-N 1 1 463.577 3.053 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305456547 1068696599 /nfs/dbraw/zinc/69/65/99/1068696599.db2.gz GBEOVJOZTWDZLQ-IEBWSBKVSA-N 1 1 463.577 3.053 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305459917 1068702108 /nfs/dbraw/zinc/70/21/08/1068702108.db2.gz QHXBVLGJMVLGCR-XUVXKRRUSA-N 1 1 464.655 3.132 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001305460985 1068703862 /nfs/dbraw/zinc/70/38/62/1068703862.db2.gz YRJSOFBGJAFBBL-XZDHIHRUSA-N 1 1 494.606 3.458 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCC[NH+]1CCOCC1 ZINC001305461664 1068705081 /nfs/dbraw/zinc/70/50/81/1068705081.db2.gz XWDBPLFKIFOFJY-GOSISDBHSA-N 1 1 463.573 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305462775 1068706018 /nfs/dbraw/zinc/70/60/18/1068706018.db2.gz HKRNIEKLGGFSES-UFYCRDLUSA-N 1 1 483.661 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305463894 1068707750 /nfs/dbraw/zinc/70/77/50/1068707750.db2.gz OZVRLNVTNQDXCW-UNMCSNQZSA-N 1 1 463.667 3.457 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305463894 1068707762 /nfs/dbraw/zinc/70/77/62/1068707762.db2.gz OZVRLNVTNQDXCW-UNMCSNQZSA-N 1 1 463.667 3.457 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC=C(Br)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001305471848 1068714325 /nfs/dbraw/zinc/71/43/25/1068714325.db2.gz FOWVXYGCWDKCFO-UZLBHIALSA-N 1 1 470.481 3.488 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001305474965 1068716452 /nfs/dbraw/zinc/71/64/52/1068716452.db2.gz PDJTWFJDWMPORU-NSHGMRRFSA-N 1 1 451.681 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305487430 1068724925 /nfs/dbraw/zinc/72/49/25/1068724925.db2.gz NKZUUWICEOMIEF-PCCBWWKXSA-N 1 1 466.696 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305492147 1068730211 /nfs/dbraw/zinc/73/02/11/1068730211.db2.gz SKTUTFJUVQOEDP-JSXRDJHFSA-N 1 1 482.739 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305492651 1068730816 /nfs/dbraw/zinc/73/08/16/1068730816.db2.gz OGPFQJJPWKYBDE-PWRODBHTSA-N 1 1 470.666 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001305494082 1068732134 /nfs/dbraw/zinc/73/21/34/1068732134.db2.gz YWGHZJIUBPREDZ-WOVHNISZSA-N 1 1 483.661 3.205 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305501133 1068736024 /nfs/dbraw/zinc/73/60/24/1068736024.db2.gz NIGWCNYVWWDPPH-DNQXCXABSA-N 1 1 495.716 3.479 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001305508049 1068745081 /nfs/dbraw/zinc/74/50/81/1068745081.db2.gz DECFWTDUFUXYGM-HXUWFJFHSA-N 1 1 470.666 3.029 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001305509473 1068748640 /nfs/dbraw/zinc/74/86/40/1068748640.db2.gz LXSSGLBGNRYOMI-UXHICEINSA-N 1 1 488.681 3.398 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001305510821 1068750916 /nfs/dbraw/zinc/75/09/16/1068750916.db2.gz RLFADWBQHXOPBY-NRFANRHFSA-N 1 1 470.666 3.030 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305511569 1068752963 /nfs/dbraw/zinc/75/29/63/1068752963.db2.gz CSHJZTYRABSUGZ-VXKWHMMOSA-N 1 1 482.673 3.423 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305513554 1068757798 /nfs/dbraw/zinc/75/77/98/1068757798.db2.gz KSJRDROSNRVEDK-PCCBWWKXSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001305514558 1068760609 /nfs/dbraw/zinc/76/06/09/1068760609.db2.gz PUKMUQUSQITLMQ-TZIWHRDSSA-N 1 1 456.610 3.306 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC001305516773 1068765070 /nfs/dbraw/zinc/76/50/70/1068765070.db2.gz LWOAASBZJZLBEH-OAQYLSRUSA-N 1 1 459.537 3.410 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305519486 1068769759 /nfs/dbraw/zinc/76/97/59/1068769759.db2.gz BFIYXNQSBSUKNH-WOJBJXKFSA-N 1 1 488.681 3.292 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001305522377 1068775046 /nfs/dbraw/zinc/77/50/46/1068775046.db2.gz IMZOKVVRBKJLQO-PKTZIBPZSA-N 1 1 483.705 3.400 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](C)Cc2cccc(OC)c2)CC1 ZINC001305525064 1068778158 /nfs/dbraw/zinc/77/81/58/1068778158.db2.gz MBBWHKWUMCSYOS-SQJMNOBHSA-N 1 1 451.611 3.156 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305525408 1068778636 /nfs/dbraw/zinc/77/86/36/1068778636.db2.gz WBYMZWPMAURNPY-UNMCSNQZSA-N 1 1 467.662 3.482 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305525551 1068779248 /nfs/dbraw/zinc/77/92/48/1068779248.db2.gz IHNJXAMTGFHUBN-AZUAARDMSA-N 1 1 462.042 3.013 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 ZINC001305532131 1068789042 /nfs/dbraw/zinc/78/90/42/1068789042.db2.gz ZERQYDHLBFNJCR-ZCYQVOJMSA-N 1 1 489.753 3.143 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001305532991 1068791691 /nfs/dbraw/zinc/79/16/91/1068791691.db2.gz FAQOCEOSUPXJKL-ARNLJNQMSA-N 1 1 495.716 3.303 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305534813 1068794796 /nfs/dbraw/zinc/79/47/96/1068794796.db2.gz IWBGNKONSFOASK-KMDXXIMOSA-N 1 1 487.737 3.437 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305535987 1068797030 /nfs/dbraw/zinc/79/70/30/1068797030.db2.gz FQIYIPSYPYWABG-HFMPRLQTSA-N 1 1 482.673 3.100 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305537241 1068800660 /nfs/dbraw/zinc/80/06/60/1068800660.db2.gz QLIAGNWJLAWGTH-DEOSSOPVSA-N 1 1 495.716 3.448 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@@H+](C)C(C)C ZINC001305541552 1068812790 /nfs/dbraw/zinc/81/27/90/1068812790.db2.gz NYHFYSZAKHXYPG-FQEVSTJZSA-N 1 1 456.635 3.225 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](OC)c1ccccc1 ZINC001305542538 1068814925 /nfs/dbraw/zinc/81/49/25/1068814925.db2.gz CZQWCFBQCAJDIB-ZKMPZPQNSA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](OC)c1ccccc1 ZINC001305542536 1068815110 /nfs/dbraw/zinc/81/51/10/1068815110.db2.gz CZQWCFBQCAJDIB-HVCNVCAESA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001305543991 1068819316 /nfs/dbraw/zinc/81/93/16/1068819316.db2.gz FDEACQRMIHCIHL-CEXWTWQISA-N 1 1 452.644 3.109 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CCOC)[C@@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544444 1068820860 /nfs/dbraw/zinc/82/08/60/1068820860.db2.gz HZMGURYNKADKCB-URXFXBBRSA-N 1 1 468.690 3.438 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CCc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305544557 1068820879 /nfs/dbraw/zinc/82/08/79/1068820879.db2.gz QULKCPNLQFKDNK-JOCHJYFZSA-N 1 1 454.663 3.003 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544446 1068820971 /nfs/dbraw/zinc/82/09/71/1068820971.db2.gz HZMGURYNKADKCB-ZJSXRUAMSA-N 1 1 468.690 3.438 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1csc(C)c1 ZINC001305544385 1068821138 /nfs/dbraw/zinc/82/11/38/1068821138.db2.gz PLHCQPWIAKFTRS-DENIHFKCSA-N 1 1 460.692 3.441 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCC(=O)N1CCCCC1 ZINC001305546423 1068825306 /nfs/dbraw/zinc/82/53/06/1068825306.db2.gz UCZZLOCKVOYQSE-JOCHJYFZSA-N 1 1 468.646 3.395 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001305547363 1068827072 /nfs/dbraw/zinc/82/70/72/1068827072.db2.gz YRFCOISJUVUFGX-IBGZPJMESA-N 1 1 454.619 3.347 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001305547367 1068827122 /nfs/dbraw/zinc/82/71/22/1068827122.db2.gz YYYOVTUYNNUHNV-LEWJYISDSA-N 1 1 468.646 3.119 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001305548394 1068827631 /nfs/dbraw/zinc/82/76/31/1068827631.db2.gz UEETWMSUBJSNFX-UXHICEINSA-N 1 1 476.691 3.150 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305551729 1068830235 /nfs/dbraw/zinc/83/02/35/1068830235.db2.gz ACKIYIDCCHPKKP-XUZZJYLKSA-N 1 1 470.662 3.406 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305556267 1068833693 /nfs/dbraw/zinc/83/36/93/1068833693.db2.gz MEGOPNHMZIOVSC-PMOQBDJRSA-N 1 1 486.636 3.451 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305556181 1068833764 /nfs/dbraw/zinc/83/37/64/1068833764.db2.gz QCSVNHWPWSETOK-RRPUWOKSSA-N 1 1 457.619 3.225 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305558981 1068836167 /nfs/dbraw/zinc/83/61/67/1068836167.db2.gz DPCCPSSUYYFRHG-XWGVYQGASA-N 1 1 471.646 3.433 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305578220 1068850691 /nfs/dbraw/zinc/85/06/91/1068850691.db2.gz QAPXQAPGAOSZJX-QGZVFWFLSA-N 1 1 464.561 3.193 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305581339 1068852411 /nfs/dbraw/zinc/85/24/11/1068852411.db2.gz WWBILGITTNXKKZ-HZPDHXFCSA-N 1 1 453.429 3.249 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305581014 1068852699 /nfs/dbraw/zinc/85/26/99/1068852699.db2.gz YBCGNVKFZJHOLS-RBUKOAKNSA-N 1 1 485.658 3.137 20 0 JGADMO CC[C@H](C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305596898 1068861773 /nfs/dbraw/zinc/86/17/73/1068861773.db2.gz BCVRTELQUJCGSB-FQEVSTJZSA-N 1 1 465.646 3.473 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001305602563 1068865635 /nfs/dbraw/zinc/86/56/35/1068865635.db2.gz CMJGQOWKXJKJOJ-IAGOWNOFSA-N 1 1 476.638 3.024 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001305602792 1068866280 /nfs/dbraw/zinc/86/62/80/1068866280.db2.gz FTFYOEMUGOLGOH-CTNGQTDRSA-N 1 1 456.610 3.453 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001305602949 1068866400 /nfs/dbraw/zinc/86/64/00/1068866400.db2.gz GUJKRHIKEAKJBL-OAQYLSRUSA-N 1 1 493.660 3.386 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001305602948 1068866430 /nfs/dbraw/zinc/86/64/30/1068866430.db2.gz GUJKRHIKEAKJBL-NRFANRHFSA-N 1 1 493.660 3.386 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001305603184 1068867268 /nfs/dbraw/zinc/86/72/68/1068867268.db2.gz IUEYKAFZQLUKTD-GJYPPUQNSA-N 1 1 450.990 3.386 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001305604037 1068868413 /nfs/dbraw/zinc/86/84/13/1068868413.db2.gz AGAPHBHPMVEXBF-RXVVDRJESA-N 1 1 458.010 3.431 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001305603735 1068868447 /nfs/dbraw/zinc/86/84/47/1068868447.db2.gz BLSXFEHHAJVFCA-POZUXBRTSA-N 1 1 463.966 3.452 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001305604097 1068868972 /nfs/dbraw/zinc/86/89/72/1068868972.db2.gz DPQVFHBUYOFWCZ-SFHVURJKSA-N 1 1 498.031 3.392 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001305604158 1068869411 /nfs/dbraw/zinc/86/94/11/1068869411.db2.gz DSPZNJZOIIPPRL-AFMDSPMNSA-N 1 1 487.645 3.467 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001305604285 1068870096 /nfs/dbraw/zinc/87/00/96/1068870096.db2.gz CNJQIARDYUWKPA-VLIAUNLRSA-N 1 1 481.464 3.358 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001305604808 1068870491 /nfs/dbraw/zinc/87/04/91/1068870491.db2.gz DJMGAXZQOUHPGG-MRXNPFEDSA-N 1 1 455.994 3.459 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001305604822 1068870933 /nfs/dbraw/zinc/87/09/33/1068870933.db2.gz CAKKIGUDNNNISN-SFHVURJKSA-N 1 1 457.026 3.389 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001305604994 1068871442 /nfs/dbraw/zinc/87/14/42/1068871442.db2.gz FJXSNEDBNGKKAZ-SFHVURJKSA-N 1 1 468.606 3.010 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001305605498 1068871946 /nfs/dbraw/zinc/87/19/46/1068871946.db2.gz FJHCNHWHACLMOW-MHPIHPPYSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305605859 1068872934 /nfs/dbraw/zinc/87/29/34/1068872934.db2.gz GEKUSNWAIKZRPC-QRQCRPRQSA-N 1 1 493.450 3.148 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001305605862 1068872951 /nfs/dbraw/zinc/87/29/51/1068872951.db2.gz RHPPWPCUBNBSCS-SQGPQFPESA-N 1 1 466.627 3.099 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001305606808 1068874654 /nfs/dbraw/zinc/87/46/54/1068874654.db2.gz VXKNMWWUUJTNOY-IFMALSPDSA-N 1 1 479.633 3.311 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001305607355 1068875227 /nfs/dbraw/zinc/87/52/27/1068875227.db2.gz KQNLECOWJBHOSH-NQIIRXRSSA-N 1 1 474.675 3.162 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001305607805 1068877634 /nfs/dbraw/zinc/87/76/34/1068877634.db2.gz ZGYCZJAKDJNLQL-NLFFAJNJSA-N 1 1 454.619 3.494 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001305608313 1068879011 /nfs/dbraw/zinc/87/90/11/1068879011.db2.gz OLNFQMKMZXQSKH-ZWKOTPCHSA-N 1 1 463.026 3.470 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC(C(=O)NC)CC1 ZINC001305608453 1068879680 /nfs/dbraw/zinc/87/96/80/1068879680.db2.gz UMVUUDJDXOKSLB-MRXNPFEDSA-N 1 1 477.451 3.400 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NC(C)=O)CC1 ZINC001305609406 1068881352 /nfs/dbraw/zinc/88/13/52/1068881352.db2.gz TXAHHZCJNPUAOR-SFHVURJKSA-N 1 1 464.618 3.170 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001305610105 1068884096 /nfs/dbraw/zinc/88/40/96/1068884096.db2.gz XYXOFSQXRSMXNK-YUXAGFNASA-N 1 1 475.659 3.227 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001305610123 1068884223 /nfs/dbraw/zinc/88/42/23/1068884223.db2.gz YCVSBXWZUNFAIU-MRXNPFEDSA-N 1 1 458.636 3.453 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001305610385 1068884602 /nfs/dbraw/zinc/88/46/02/1068884602.db2.gz HJKJKJSYRHWTKO-INIZCTEOSA-N 1 1 458.998 3.137 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001305610387 1068884837 /nfs/dbraw/zinc/88/48/37/1068884837.db2.gz HJKJKJSYRHWTKO-MRXNPFEDSA-N 1 1 458.998 3.137 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001305612615 1068887777 /nfs/dbraw/zinc/88/77/77/1068887777.db2.gz RNNIHLFNKFGVNC-GOSISDBHSA-N 1 1 454.648 3.158 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001305612031 1068887845 /nfs/dbraw/zinc/88/78/45/1068887845.db2.gz BTUIEBCOGAVBKE-QRVBRYPASA-N 1 1 467.618 3.019 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC001305613836 1068890147 /nfs/dbraw/zinc/89/01/47/1068890147.db2.gz KKLXCNGZEKEPIC-PZJWPPBQSA-N 1 1 466.634 3.133 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001305614163 1068890717 /nfs/dbraw/zinc/89/07/17/1068890717.db2.gz LYCKOKBCOXOXJL-HRAATJIYSA-N 1 1 459.545 3.265 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001305615398 1068893369 /nfs/dbraw/zinc/89/33/69/1068893369.db2.gz VHZVGYWAEFXIOD-UUOWRZLLSA-N 1 1 470.021 3.303 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001305616227 1068895870 /nfs/dbraw/zinc/89/58/70/1068895870.db2.gz UNWDKBAREBUKIQ-MJGOQNOKSA-N 1 1 462.668 3.127 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001305616440 1068895979 /nfs/dbraw/zinc/89/59/79/1068895979.db2.gz BFFNQWSUPNZZQC-CVDCTZTESA-N 1 1 465.650 3.119 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC001305616629 1068896656 /nfs/dbraw/zinc/89/66/56/1068896656.db2.gz HQMJKAVRLKJXCG-NRFANRHFSA-N 1 1 484.689 3.497 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC001305616630 1068896715 /nfs/dbraw/zinc/89/67/15/1068896715.db2.gz HQMJKAVRLKJXCG-OAQYLSRUSA-N 1 1 484.689 3.497 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001305617094 1068897863 /nfs/dbraw/zinc/89/78/63/1068897863.db2.gz JXVRVJUFXNACFI-REWPJTCUSA-N 1 1 486.661 3.068 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001305617705 1068898870 /nfs/dbraw/zinc/89/88/70/1068898870.db2.gz IUUAIBTYFNRFEU-NHCUHLMSSA-N 1 1 471.646 3.382 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001305617702 1068898997 /nfs/dbraw/zinc/89/89/97/1068898997.db2.gz IUUAIBTYFNRFEU-LEWJYISDSA-N 1 1 471.646 3.382 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001305617756 1068899770 /nfs/dbraw/zinc/89/97/70/1068899770.db2.gz ANZHQQXYSQLCKT-LEWJYISDSA-N 1 1 458.676 3.130 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001305617857 1068900466 /nfs/dbraw/zinc/90/04/66/1068900466.db2.gz JOUHLKINSYMXJI-VWNXMTODSA-N 1 1 481.689 3.490 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001305619182 1068902851 /nfs/dbraw/zinc/90/28/51/1068902851.db2.gz NZLJYXPLTJXLOU-LJQANCHMSA-N 1 1 498.701 3.484 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305619247 1068902976 /nfs/dbraw/zinc/90/29/76/1068902976.db2.gz FWTLBJSYXKBXBX-UWHLTILDSA-N 1 1 483.723 3.331 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305619281 1068903482 /nfs/dbraw/zinc/90/34/82/1068903482.db2.gz GLBUWTKUOZQPGI-ISJBWFOZSA-N 1 1 492.709 3.180 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001305619952 1068904292 /nfs/dbraw/zinc/90/42/92/1068904292.db2.gz UJKWJUBFQOQSNC-DENIHFKCSA-N 1 1 486.636 3.184 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001305620115 1068904877 /nfs/dbraw/zinc/90/48/77/1068904877.db2.gz PXTJHWQLMXSJAP-QAPCUYQASA-N 1 1 458.636 3.440 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001305620892 1068906199 /nfs/dbraw/zinc/90/61/99/1068906199.db2.gz XPAVICRPKJRHOK-PWAJEDTMSA-N 1 1 495.734 3.475 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305621028 1068906951 /nfs/dbraw/zinc/90/69/51/1068906951.db2.gz ARHQOJYRHIYGJC-MHTWAQMVSA-N 1 1 494.681 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305621107 1068907545 /nfs/dbraw/zinc/90/75/45/1068907545.db2.gz LPNMHUHZWZNXSH-RBUKOAKNSA-N 1 1 481.638 3.130 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001305621826 1068909040 /nfs/dbraw/zinc/90/90/40/1068909040.db2.gz PRBBPSLZHNOJQA-HXUWFJFHSA-N 1 1 458.607 3.093 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305621694 1068909155 /nfs/dbraw/zinc/90/91/55/1068909155.db2.gz NHZLJWZEEDROQE-WZOHSFFVSA-N 1 1 494.681 3.152 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001305621880 1068909432 /nfs/dbraw/zinc/90/94/32/1068909432.db2.gz XNDKKINCFOIAIH-PZJWPPBQSA-N 1 1 471.650 3.488 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001305622064 1068909472 /nfs/dbraw/zinc/90/94/72/1068909472.db2.gz YHJQXJPSSHPWNT-OAQYLSRUSA-N 1 1 467.662 3.292 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001305622095 1068909711 /nfs/dbraw/zinc/90/97/11/1068909711.db2.gz OEJFDGYODJIOSD-GAJHUEQPSA-N 1 1 463.026 3.203 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001305622062 1068909776 /nfs/dbraw/zinc/90/97/76/1068909776.db2.gz YHJQXJPSSHPWNT-NRFANRHFSA-N 1 1 467.662 3.292 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1COc2ccccc2O1 ZINC001305622240 1068910297 /nfs/dbraw/zinc/91/02/97/1068910297.db2.gz QTULMNHQVRFERU-TZIWHRDSSA-N 1 1 467.618 3.146 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001305622231 1068910524 /nfs/dbraw/zinc/91/05/24/1068910524.db2.gz OUTKHUQBNPYXHC-KAOXLYBCSA-N 1 1 476.710 3.086 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001305622241 1068911238 /nfs/dbraw/zinc/91/12/38/1068911238.db2.gz OUTKHUQBNPYXHC-SSGKUCQKSA-N 1 1 476.710 3.086 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001305622990 1068912542 /nfs/dbraw/zinc/91/25/42/1068912542.db2.gz VNPLURGGVIWJAP-TUNNFDKTSA-N 1 1 454.619 3.097 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001305623192 1068913275 /nfs/dbraw/zinc/91/32/75/1068913275.db2.gz SNMSMMHXHLLIFG-FVTFTPSCSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001305623718 1068915641 /nfs/dbraw/zinc/91/56/41/1068915641.db2.gz VRWPRSBIRDNDRY-KNQAVFIVSA-N 1 1 483.617 3.474 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001305624244 1068917116 /nfs/dbraw/zinc/91/71/16/1068917116.db2.gz QGNKWBSBBQUSHY-RBBKRZOGSA-N 1 1 454.619 3.131 20 0 JGADMO CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001305625020 1068918832 /nfs/dbraw/zinc/91/88/32/1068918832.db2.gz ALFRLDNIHSUTEB-NZQKXSOJSA-N 1 1 498.672 3.253 20 0 JGADMO CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001305625020 1068918850 /nfs/dbraw/zinc/91/88/50/1068918850.db2.gz ALFRLDNIHSUTEB-NZQKXSOJSA-N 1 1 498.672 3.253 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001305626631 1068924398 /nfs/dbraw/zinc/92/43/98/1068924398.db2.gz BXIRCWRFGODOHD-IPMKNSEASA-N 1 1 472.634 3.186 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001305628883 1068930322 /nfs/dbraw/zinc/93/03/22/1068930322.db2.gz KWCPGKFQSAVIJZ-JQVVWYNYSA-N 1 1 489.064 3.450 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305632692 1068940122 /nfs/dbraw/zinc/94/01/22/1068940122.db2.gz MUUKWJPUJVBFRR-ZLNRFVROSA-N 1 1 481.689 3.245 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001305640767 1068957006 /nfs/dbraw/zinc/95/70/06/1068957006.db2.gz QXGJUFNPTZJYSX-NHCUHLMSSA-N 1 1 482.673 3.493 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305644498 1068969738 /nfs/dbraw/zinc/96/97/38/1068969738.db2.gz PCRDSPLBOARJPS-IFMALSPDSA-N 1 1 454.619 3.147 20 0 JGADMO CC[C@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001305654848 1068993285 /nfs/dbraw/zinc/99/32/85/1068993285.db2.gz KMVRIIZNPATCGL-NRFANRHFSA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001305654848 1068993301 /nfs/dbraw/zinc/99/33/01/1068993301.db2.gz KMVRIIZNPATCGL-NRFANRHFSA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001305660465 1069000867 /nfs/dbraw/zinc/00/08/67/1069000867.db2.gz MWCUJLYMDDYFKM-MDNUFGMLSA-N 1 1 482.673 3.139 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCCCn1cc[nH+]c1C)c1ccccc1 ZINC001305663327 1069004419 /nfs/dbraw/zinc/00/44/19/1069004419.db2.gz AFGCTDLHWOOLNW-YADHBBJMSA-N 1 1 470.643 3.429 20 0 JGADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001305670527 1069016560 /nfs/dbraw/zinc/01/65/60/1069016560.db2.gz KTZNGFWJTHQZKY-DHLKQENFSA-N 1 1 482.673 3.380 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCS(=O)(=O)N(C)C)c1ccccc1 ZINC001305671350 1069018534 /nfs/dbraw/zinc/01/85/34/1069018534.db2.gz OBHLFLRQRBGWGS-HSZRJFAPSA-N 1 1 488.702 3.166 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)O)c1ccccc1 ZINC001305671634 1069018805 /nfs/dbraw/zinc/01/88/05/1069018805.db2.gz PTPGFNCCSLUIMH-JOCHJYFZSA-N 1 1 451.619 3.037 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677066 1069031847 /nfs/dbraw/zinc/03/18/47/1069031847.db2.gz WEAZZNOMIVDKGZ-DQEYMECFSA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677066 1069031863 /nfs/dbraw/zinc/03/18/63/1069031863.db2.gz WEAZZNOMIVDKGZ-DQEYMECFSA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001305686977 1069048363 /nfs/dbraw/zinc/04/83/63/1069048363.db2.gz VBGNTZROLZINPC-YFNKSVMNSA-N 1 1 483.657 3.445 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)SC ZINC001305691035 1069057681 /nfs/dbraw/zinc/05/76/81/1069057681.db2.gz RGTNLYUDDYCOOW-OAQYLSRUSA-N 1 1 489.734 3.426 20 0 JGADMO CCC(CC)(Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)OC ZINC001305696123 1069069474 /nfs/dbraw/zinc/06/94/74/1069069474.db2.gz MRNPGVXIBFIKAN-SIKLNZKXSA-N 1 1 473.618 3.153 20 0 JGADMO CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001305697167 1069072599 /nfs/dbraw/zinc/07/25/99/1069072599.db2.gz UICPZCYBBUDIBU-CTNGQTDRSA-N 1 1 462.683 3.061 20 0 JGADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)SC ZINC001305697801 1069074938 /nfs/dbraw/zinc/07/49/38/1069074938.db2.gz JRSCOVULWWWVKK-QHCPKHFHSA-N 1 1 458.676 3.487 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC001305703993 1069088860 /nfs/dbraw/zinc/08/88/60/1069088860.db2.gz DBFGINMJZRDBAN-HSZRJFAPSA-N 1 1 468.646 3.116 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](SC)C1)[NH+]1CCOCC1 ZINC001305708481 1069100561 /nfs/dbraw/zinc/10/05/61/1069100561.db2.gz WYZHFTMDKOIZQD-SFTDATJTSA-N 1 1 480.723 3.275 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([NH2+]C(C)C)CC1)N1CCOCC1 ZINC001305713273 1069114656 /nfs/dbraw/zinc/11/46/56/1069114656.db2.gz FJZNKRZUXDXSLM-XZOQPEGZSA-N 1 1 462.683 3.233 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001305725955 1069142978 /nfs/dbraw/zinc/14/29/78/1069142978.db2.gz XDIJLBWCWUJPJZ-HXUWFJFHSA-N 1 1 478.707 3.173 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305728218 1069147756 /nfs/dbraw/zinc/14/77/56/1069147756.db2.gz JDKSTGHEJOWJBY-UXHICEINSA-N 1 1 468.646 3.116 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001305736662 1069158889 /nfs/dbraw/zinc/15/88/89/1069158889.db2.gz UFFBXZZBFMDWDX-SFYKDHMMSA-N 1 1 486.636 3.296 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741531 1069173731 /nfs/dbraw/zinc/17/37/31/1069173731.db2.gz STXVOQOHZVKSQB-PCCBWWKXSA-N 1 1 495.672 3.169 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741417 1069173746 /nfs/dbraw/zinc/17/37/46/1069173746.db2.gz SBPSYEDJJULVHQ-MSOLQXFVSA-N 1 1 469.634 3.122 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742023 1069174769 /nfs/dbraw/zinc/17/47/69/1069174769.db2.gz UGGYDZJSYJTLAO-HOTGVXAUSA-N 1 1 476.695 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742621 1069177428 /nfs/dbraw/zinc/17/74/28/1069177428.db2.gz WDZIACDHDARORI-IAGOWNOFSA-N 1 1 460.598 3.311 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc([C@H](C)O)cc1 ZINC001305744109 1069182547 /nfs/dbraw/zinc/18/25/47/1069182547.db2.gz ZVJGBMPAASRPGK-OTWHNJEPSA-N 1 1 456.635 3.217 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001305745398 1069185571 /nfs/dbraw/zinc/18/55/71/1069185571.db2.gz SMPQKDVPKULVJS-PXNSSMCTSA-N 1 1 492.715 3.273 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@@H]32)n1CCCC[NH+]1CCOCC1 ZINC001305746139 1069188103 /nfs/dbraw/zinc/18/81/03/1069188103.db2.gz ZCLTUJFCDDQYLW-IRLDBZIGSA-N 1 1 460.667 3.468 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001305750616 1069196745 /nfs/dbraw/zinc/19/67/45/1069196745.db2.gz YKSRFJFQPUMTNH-XLIONFOSSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001305750616 1069196750 /nfs/dbraw/zinc/19/67/50/1069196750.db2.gz YKSRFJFQPUMTNH-XLIONFOSSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305751793 1069198169 /nfs/dbraw/zinc/19/81/69/1069198169.db2.gz QAIYMNMPQRFRLJ-LJQANCHMSA-N 1 1 470.666 3.188 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305752231 1069199265 /nfs/dbraw/zinc/19/92/65/1069199265.db2.gz OELOELSERSXNRE-UNMCSNQZSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305752228 1069199289 /nfs/dbraw/zinc/19/92/89/1069199289.db2.gz OELOELSERSXNRE-IFMALSPDSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@]1(C)CCCO1 ZINC001305755172 1069206994 /nfs/dbraw/zinc/20/69/94/1069206994.db2.gz KPQLSQNSCGRBIW-UNVFRBQDSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3ccnn3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305755650 1069207953 /nfs/dbraw/zinc/20/79/53/1069207953.db2.gz OEDNDZLYPGAJJZ-HXUWFJFHSA-N 1 1 499.708 3.215 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCC1(C)C ZINC001305756795 1069211849 /nfs/dbraw/zinc/21/18/49/1069211849.db2.gz ZVGJOTKLUDEDJJ-VQTJNVASSA-N 1 1 460.667 3.181 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305758121 1069216301 /nfs/dbraw/zinc/21/63/01/1069216301.db2.gz BPHHMQDROYXQJC-IBGZPJMESA-N 1 1 483.661 3.372 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001305760756 1069226085 /nfs/dbraw/zinc/22/60/85/1069226085.db2.gz ZECDDMRNIVOWQQ-UHFFFAOYSA-N 1 1 457.623 3.402 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1CC[N@@H+]1CC=CCC1 ZINC001305760735 1069226311 /nfs/dbraw/zinc/22/63/11/1069226311.db2.gz YHSYVWAERABACN-UHFFFAOYSA-N 1 1 454.594 3.469 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305761654 1069229159 /nfs/dbraw/zinc/22/91/59/1069229159.db2.gz CFUQOYBARPPAMM-ONTIZHBOSA-N 1 1 460.667 3.060 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305762759 1069231392 /nfs/dbraw/zinc/23/13/92/1069231392.db2.gz HLAOZLMQOUILRY-OAQYLSRUSA-N 1 1 482.673 3.303 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305767857 1069239829 /nfs/dbraw/zinc/23/98/29/1069239829.db2.gz JAYUSTFCXLIOLF-ICSRJNTNSA-N 1 1 486.665 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001305767876 1069240304 /nfs/dbraw/zinc/24/03/04/1069240304.db2.gz SLZJXNREDOIMEH-MHECFPHRSA-N 1 1 457.623 3.366 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CCSC1(C)C ZINC001305777774 1069263714 /nfs/dbraw/zinc/26/37/14/1069263714.db2.gz RAZSXIBUZMXELX-PMACEKPBSA-N 1 1 492.734 3.277 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCOCC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305777814 1069264266 /nfs/dbraw/zinc/26/42/66/1069264266.db2.gz SLQPZFDEFRZAAH-UHFFFAOYSA-N 1 1 469.565 3.105 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001305780607 1069271459 /nfs/dbraw/zinc/27/14/59/1069271459.db2.gz UZAUABBRXQTMHJ-HXUWFJFHSA-N 1 1 475.707 3.481 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(C)c3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305783796 1069278966 /nfs/dbraw/zinc/27/89/66/1069278966.db2.gz XYLWXKXLYWZTGQ-NRFANRHFSA-N 1 1 467.662 3.173 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCOc1ccc(Cl)cc1 ZINC001305785198 1069284511 /nfs/dbraw/zinc/28/45/11/1069284511.db2.gz AZLNGLFJIDMPLU-KRWDZBQOSA-N 1 1 463.026 3.459 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCOc1ccc(Cl)cc1 ZINC001305785199 1069284754 /nfs/dbraw/zinc/28/47/54/1069284754.db2.gz AZLNGLFJIDMPLU-QGZVFWFLSA-N 1 1 463.026 3.459 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001305785364 1069285110 /nfs/dbraw/zinc/28/51/10/1069285110.db2.gz FDTKKXJWMPDSBZ-QZTJIDSGSA-N 1 1 460.598 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001305785669 1069286786 /nfs/dbraw/zinc/28/67/86/1069286786.db2.gz OHUFRCAIKPTNEN-LJQANCHMSA-N 1 1 482.677 3.016 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001305785639 1069286849 /nfs/dbraw/zinc/28/68/49/1069286849.db2.gz IWZBTAJQCMSTOP-QFIPXVFZSA-N 1 1 495.716 3.421 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001305785741 1069287071 /nfs/dbraw/zinc/28/70/71/1069287071.db2.gz KIHFTBNKEWHDFY-SFHVURJKSA-N 1 1 491.681 3.126 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001305785743 1069287652 /nfs/dbraw/zinc/28/76/52/1069287652.db2.gz KJGKBHNVCVOBJY-GOSISDBHSA-N 1 1 496.635 3.408 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@H]1CC=CCC1 ZINC001305786186 1069289590 /nfs/dbraw/zinc/28/95/90/1069289590.db2.gz SQFNXROBBVCUKJ-QPPBQGQZSA-N 1 1 480.657 3.408 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC1(C)CCCC1 ZINC001305786363 1069290101 /nfs/dbraw/zinc/29/01/01/1069290101.db2.gz VUIBJZRDHMCMDB-IBGZPJMESA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC1(C(C)C)CC1 ZINC001305786464 1069290694 /nfs/dbraw/zinc/29/06/94/1069290694.db2.gz VINFACWTKGLVOX-LJQANCHMSA-N 1 1 460.667 3.322 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001305786597 1069291308 /nfs/dbraw/zinc/29/13/08/1069291308.db2.gz WROSUFHQYQLABY-BCHFMIIMSA-N 1 1 474.694 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCc1c[nH]nc1C ZINC001305786684 1069291328 /nfs/dbraw/zinc/29/13/28/1069291328.db2.gz YEHHBIIWDGMUIV-SFHVURJKSA-N 1 1 470.666 3.171 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@](C)(O)C1CC1 ZINC001305787318 1069293692 /nfs/dbraw/zinc/29/36/92/1069293692.db2.gz JLFZCOATFDYYQQ-NIYFSFCBSA-N 1 1 468.646 3.068 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCc1cccc(F)c1F ZINC001305788092 1069295627 /nfs/dbraw/zinc/29/56/27/1069295627.db2.gz HKODIEPLNKXTBR-IBGZPJMESA-N 1 1 460.573 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305789947 1069300159 /nfs/dbraw/zinc/30/01/59/1069300159.db2.gz GORCAJPNEBWDER-DLBZAZTESA-N 1 1 474.572 3.084 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1c(F)cc(F)c(F)c1F ZINC001305790727 1069302232 /nfs/dbraw/zinc/30/22/32/1069302232.db2.gz WVGJLSRBPTZHKY-OAHLLOKOSA-N 1 1 482.526 3.476 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001305791229 1069303628 /nfs/dbraw/zinc/30/36/28/1069303628.db2.gz ZXXLCJSQLOETBT-GHTZIAJQSA-N 1 1 472.609 3.478 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001305791232 1069304099 /nfs/dbraw/zinc/30/40/99/1069304099.db2.gz ZXXLCJSQLOETBT-WIYYLYMNSA-N 1 1 472.609 3.478 20 0 JGADMO COc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000040957874 563161178 /nfs/dbraw/zinc/16/11/78/563161178.db2.gz CKRQXBZZTZEABO-UHFFFAOYSA-N 1 1 457.518 3.205 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164401517 718857700 /nfs/dbraw/zinc/85/77/00/718857700.db2.gz FZQGGMLHZHSGRE-SXLOBPIMSA-N 1 1 477.609 3.053 20 0 JGADMO CCOC(=O)c1nc2n(n1)CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164615543 719006123 /nfs/dbraw/zinc/00/61/23/719006123.db2.gz HHFWIGXNWZQNBG-UHFFFAOYSA-N 1 1 481.626 3.200 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1CN1CC[C@@H](CO)C1 ZINC001164626070 719047006 /nfs/dbraw/zinc/04/70/06/719047006.db2.gz QMKRHLJZACAUTG-OGQCEUPSSA-N 1 1 491.680 3.464 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1CN1CC[C@@H](CO)C1 ZINC001164626064 719047063 /nfs/dbraw/zinc/04/70/63/719047063.db2.gz QMKRHLJZACAUTG-JICQUXPRSA-N 1 1 491.680 3.464 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164618941 719084960 /nfs/dbraw/zinc/08/49/60/719084960.db2.gz BQOJVNCBIXWYRL-QZTJIDSGSA-N 1 1 454.962 3.144 20 0 JGADMO CN(C)C(=O)CN1CC[C@@]2(CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2c2ccccc2)C1=O ZINC001164634490 719143230 /nfs/dbraw/zinc/14/32/30/719143230.db2.gz VJIOEKVKNNXPOZ-CUNXSJBXSA-N 1 1 496.055 3.242 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc1 ZINC001164635088 719259421 /nfs/dbraw/zinc/25/94/21/719259421.db2.gz HSDOQYMGRSOGQA-HSZRJFAPSA-N 1 1 481.645 3.159 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164635772 719266335 /nfs/dbraw/zinc/26/63/35/719266335.db2.gz IFJQRTXESURZRB-WHSBFGAESA-N 1 1 466.630 3.451 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164635750 719266498 /nfs/dbraw/zinc/26/64/98/719266498.db2.gz IFJQRTXESURZRB-HNVPCBRESA-N 1 1 466.630 3.451 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1c(Cl)nnc(Cl)c1N1CCOCC1)CC2 ZINC001164651049 719318339 /nfs/dbraw/zinc/31/83/39/719318339.db2.gz FLPGMCDPZSNRKK-UHFFFAOYSA-N 1 1 454.406 3.022 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc(Cl)nc4)C3)C2)cc[nH+]1 ZINC001164663841 719356408 /nfs/dbraw/zinc/35/64/08/719356408.db2.gz HKLUFLFVLQHRSR-FQEVSTJZSA-N 1 1 452.937 3.259 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)Oc4cccnc4Cl)C3)C2)cc[nH+]1 ZINC001164665863 719356461 /nfs/dbraw/zinc/35/64/61/719356461.db2.gz ZGNZYVTWNWVMNR-FQEVSTJZSA-N 1 1 468.936 3.139 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc(Cl)nc4)C3)C2)cc[nH+]1 ZINC001164663842 719356576 /nfs/dbraw/zinc/35/65/76/719356576.db2.gz HKLUFLFVLQHRSR-HXUWFJFHSA-N 1 1 452.937 3.259 20 0 JGADMO COc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1Cl ZINC001164664161 719356972 /nfs/dbraw/zinc/35/69/72/719356972.db2.gz LCMPRUZMOZNTON-OAQYLSRUSA-N 1 1 482.963 3.268 20 0 JGADMO COc1ccc(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)c(Cl)n1 ZINC001164665412 719357262 /nfs/dbraw/zinc/35/72/62/719357262.db2.gz WSVWNJZFIYOYGN-NRFANRHFSA-N 1 1 482.963 3.268 20 0 JGADMO CN1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164669271 719426200 /nfs/dbraw/zinc/42/62/00/719426200.db2.gz LMXLIZNSZWEVNY-FGZHOGPDSA-N 1 1 455.002 3.276 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164672544 719519802 /nfs/dbraw/zinc/51/98/02/719519802.db2.gz JXXUKGXPJUUQAB-UHFFFAOYSA-N 1 1 467.545 3.156 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164672544 719519810 /nfs/dbraw/zinc/51/98/10/719519810.db2.gz JXXUKGXPJUUQAB-UHFFFAOYSA-N 1 1 467.545 3.156 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@@H](OCC(=O)NC)CO3)CC2)n1 ZINC001164676922 719553868 /nfs/dbraw/zinc/55/38/68/719553868.db2.gz INTAFJMWUBKGAI-GOSISDBHSA-N 1 1 475.659 3.040 20 0 JGADMO CCN(C)c1cc(C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680322 719655137 /nfs/dbraw/zinc/65/51/37/719655137.db2.gz FJDRFOIHNNSSRE-OAQYLSRUSA-N 1 1 464.658 3.335 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)n1 ZINC001164693959 719800907 /nfs/dbraw/zinc/80/09/07/719800907.db2.gz WDUAGHRVQXPYGE-MSOLQXFVSA-N 1 1 453.616 3.034 20 0 JGADMO COC(=O)C1CCN(c2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nn2)CC1 ZINC001164693943 719811323 /nfs/dbraw/zinc/81/13/23/719811323.db2.gz SNKGPBGRKMZGAN-UHFFFAOYSA-N 1 1 470.643 3.266 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1 ZINC001164700906 719885133 /nfs/dbraw/zinc/88/51/33/719885133.db2.gz MUEAQKBXDYYMNI-GXRSIYKFSA-N 1 1 450.587 3.146 20 0 JGADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1C ZINC001164699298 719896911 /nfs/dbraw/zinc/89/69/11/719896911.db2.gz ZIRHSHCYNLLKDO-UHFFFAOYSA-N 1 1 476.002 3.341 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164705380 719898266 /nfs/dbraw/zinc/89/82/66/719898266.db2.gz AZOIOYNJRPHDFS-UHFFFAOYSA-N 1 1 478.684 3.481 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164707078 719898783 /nfs/dbraw/zinc/89/87/83/719898783.db2.gz NBYPQKQILGOVNW-IBGZPJMESA-N 1 1 478.684 3.481 20 0 JGADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164706873 719908664 /nfs/dbraw/zinc/90/86/64/719908664.db2.gz LFMBAIAQTLGSPL-HNNXBMFYSA-N 1 1 450.992 3.339 20 0 JGADMO Cc1noc([C@@]23COC[C@@H]2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)n1 ZINC001164802500 720060266 /nfs/dbraw/zinc/06/02/66/720060266.db2.gz IOIUFQNLGLGAAS-FYSMJZIKSA-N 1 1 466.611 3.262 20 0 JGADMO Cc1noc([C@@]23COC[C@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c42)C3)n1 ZINC001164799833 720060545 /nfs/dbraw/zinc/06/05/45/720060545.db2.gz CFCGADYSQFOSPJ-HXOBKFHXSA-N 1 1 454.600 3.390 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c12 ZINC001164811431 720070189 /nfs/dbraw/zinc/07/01/89/720070189.db2.gz OJARQLHIJWIPHH-AFMDSPMNSA-N 1 1 463.582 3.244 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)C2 ZINC001164807361 720079212 /nfs/dbraw/zinc/07/92/12/720079212.db2.gz FCQSXKXLCZRSPJ-LVXARBLLSA-N 1 1 495.649 3.161 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164806809 720085284 /nfs/dbraw/zinc/08/52/84/720085284.db2.gz DHBZJQZOVCOHLQ-LAUBAEHRSA-N 1 1 455.981 3.460 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164710273 720096324 /nfs/dbraw/zinc/09/63/24/720096324.db2.gz IDGQVVJUXLULPA-QGZVFWFLSA-N 1 1 479.959 3.281 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164710014 720101367 /nfs/dbraw/zinc/10/13/67/720101367.db2.gz FLRDUEDTZJEGRN-JOCHJYFZSA-N 1 1 461.566 3.319 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3ccc(C(=O)OC)cc3n1)CC2 ZINC001164711213 720101768 /nfs/dbraw/zinc/10/17/68/720101768.db2.gz PMTDEVLJDDXKPC-QFIPXVFZSA-N 1 1 461.566 3.319 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164709587 720106632 /nfs/dbraw/zinc/10/66/32/720106632.db2.gz BDGCQUCYQOLPOQ-GOSISDBHSA-N 1 1 459.978 3.209 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164718104 720114068 /nfs/dbraw/zinc/11/40/68/720114068.db2.gz RRTUWCGCUSDCED-SFHVURJKSA-N 1 1 459.978 3.209 20 0 JGADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)nc2N1C1CCCC1 ZINC001164810527 720115457 /nfs/dbraw/zinc/11/54/57/720115457.db2.gz JYUCCUYYVWQEBP-KCVHQNEMSA-N 1 1 468.646 3.141 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC)OCC ZINC001164811139 720116408 /nfs/dbraw/zinc/11/64/08/720116408.db2.gz LRXBLZCHAOWZSQ-FDDCHVKYSA-N 1 1 453.027 3.256 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)CC2 ZINC001164719106 720116674 /nfs/dbraw/zinc/11/66/74/720116674.db2.gz WGBWVRCXLHYRGX-IBGZPJMESA-N 1 1 479.581 3.261 20 0 JGADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164718600 720119171 /nfs/dbraw/zinc/11/91/71/720119171.db2.gz TUBLOVQNLCFDLR-IBGZPJMESA-N 1 1 474.005 3.138 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164719073 720124947 /nfs/dbraw/zinc/12/49/47/720124947.db2.gz VIOZIDJIKQCACE-HXUWFJFHSA-N 1 1 453.587 3.334 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(-c3ccccc3)n1)CC2 ZINC001164716269 720125650 /nfs/dbraw/zinc/12/56/50/720125650.db2.gz KBGJHWFYMMBKRG-JOCHJYFZSA-N 1 1 460.582 3.450 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1/C=C/C(=O)OC)CC2 ZINC001164713555 720131710 /nfs/dbraw/zinc/13/17/10/720131710.db2.gz RWTZJKFMZHVESV-MNQSQUENSA-N 1 1 450.583 3.479 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ncn3Cc1ccccc1F)C2 ZINC001164816137 720133841 /nfs/dbraw/zinc/13/38/41/720133841.db2.gz XQWJVSFZTSBJRT-CJFMBICVSA-N 1 1 450.562 3.198 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001164816464 720133946 /nfs/dbraw/zinc/13/39/46/720133946.db2.gz YYCCTQHPSTULIC-GJZUVCINSA-N 1 1 463.630 3.109 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1cc(C(=O)OC)n3C)CC2 ZINC001164714398 720138654 /nfs/dbraw/zinc/13/86/54/720138654.db2.gz WZYAUZBHGLZVPF-GOSISDBHSA-N 1 1 499.015 3.311 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164714778 720139439 /nfs/dbraw/zinc/13/94/39/720139439.db2.gz YZNXCLDODHIRJO-KRWDZBQOSA-N 1 1 484.988 3.300 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164713581 720142130 /nfs/dbraw/zinc/14/21/30/720142130.db2.gz SGLWQWVKNDMMQT-INIZCTEOSA-N 1 1 477.947 3.405 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164715010 720156355 /nfs/dbraw/zinc/15/63/55/720156355.db2.gz RZVBVCPCUXFOGI-MJGOQNOKSA-N 1 1 474.005 3.309 20 0 JGADMO CCOC(=O)c1ccnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1C(=O)OCC ZINC001164713450 720158051 /nfs/dbraw/zinc/15/80/51/720158051.db2.gz KPKKJEXGYNZHJP-OAQYLSRUSA-N 1 1 496.608 3.338 20 0 JGADMO COc1cc2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2cc1OC ZINC001164812663 720218395 /nfs/dbraw/zinc/21/83/95/720218395.db2.gz IAVZPQRFDBQGHM-UHFFFAOYSA-N 1 1 472.977 3.108 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CCC2 ZINC001164812329 720233433 /nfs/dbraw/zinc/23/34/33/720233433.db2.gz FOIHBAHKBWZJOK-UHFFFAOYSA-N 1 1 451.575 3.236 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(Cl)n1 ZINC001164814491 720235176 /nfs/dbraw/zinc/23/51/76/720235176.db2.gz VNBGJCJVMUMTNS-UHFFFAOYSA-N 1 1 483.947 3.264 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CCC2 ZINC001164813332 720240124 /nfs/dbraw/zinc/24/01/24/720240124.db2.gz MWWFIRUDWHOVPU-UHFFFAOYSA-N 1 1 476.581 3.112 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3Cc4ccnn4C[C@H](C(=O)N4CCCC4)C3)c2c1C ZINC001164819129 720266821 /nfs/dbraw/zinc/26/68/21/720266821.db2.gz PQRUQQFOAVWJPT-LJQANCHMSA-N 1 1 479.654 3.359 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4ccc(C)cc4)c4ccccc43)C2)C1 ZINC001164723919 720283940 /nfs/dbraw/zinc/28/39/40/720283940.db2.gz YSOJWXJYIPHICX-MHZLTWQESA-N 1 1 459.594 3.270 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4ccc(C)cc4)c4ccccc43)C2)C1 ZINC001164723919 720283942 /nfs/dbraw/zinc/28/39/42/720283942.db2.gz YSOJWXJYIPHICX-MHZLTWQESA-N 1 1 459.594 3.270 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)C2)C1 ZINC001164724209 720286006 /nfs/dbraw/zinc/28/60/06/720286006.db2.gz ZMFKVXTUOKZVAB-VWLOTQADSA-N 1 1 480.638 3.035 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)C2)C1 ZINC001164724209 720286016 /nfs/dbraw/zinc/28/60/16/720286016.db2.gz ZMFKVXTUOKZVAB-VWLOTQADSA-N 1 1 480.638 3.035 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccc(F)cc4)c4ccccc43)C2)C1 ZINC001164721274 720286425 /nfs/dbraw/zinc/28/64/25/720286425.db2.gz IWBYUHFIKHOSBJ-AREMUKBSSA-N 1 1 463.557 3.101 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccc(F)cc4)c4ccccc43)C2)C1 ZINC001164721274 720286439 /nfs/dbraw/zinc/28/64/39/720286439.db2.gz IWBYUHFIKHOSBJ-AREMUKBSSA-N 1 1 463.557 3.101 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc(C)c(-c5ccccc5)c43)C2)C1 ZINC001164724225 720287073 /nfs/dbraw/zinc/28/70/73/720287073.db2.gz ZUNUQOUMUAMTFO-VWLOTQADSA-N 1 1 465.623 3.332 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4sc(C)c(-c5ccccc5)c43)C2)C1 ZINC001164724225 720287077 /nfs/dbraw/zinc/28/70/77/720287077.db2.gz ZUNUQOUMUAMTFO-VWLOTQADSA-N 1 1 465.623 3.332 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C2)C1 ZINC001164720948 720299436 /nfs/dbraw/zinc/29/94/36/720299436.db2.gz FWLLEBUPRKSFOZ-AREMUKBSSA-N 1 1 484.044 3.341 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C2)C1 ZINC001164720948 720299450 /nfs/dbraw/zinc/29/94/50/720299450.db2.gz FWLLEBUPRKSFOZ-AREMUKBSSA-N 1 1 484.044 3.341 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)C2)C1 ZINC001164724010 720303665 /nfs/dbraw/zinc/30/36/65/720303665.db2.gz PZFQHSMIKSEKOY-JOCHJYFZSA-N 1 1 482.387 3.254 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)C2)C1 ZINC001164724010 720303669 /nfs/dbraw/zinc/30/36/69/720303669.db2.gz PZFQHSMIKSEKOY-JOCHJYFZSA-N 1 1 482.387 3.254 20 0 JGADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726586 720343155 /nfs/dbraw/zinc/34/31/55/720343155.db2.gz PVPPWOSJXFTFSL-PKTZIBPZSA-N 1 1 474.590 3.225 20 0 JGADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@@H](CO)C3)O2)n1 ZINC001164830443 720406815 /nfs/dbraw/zinc/40/68/15/720406815.db2.gz QURQEFZJMKHYAP-GFRNBQLOSA-N 1 1 498.628 3.071 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@H](O)[C@@H]2Cc2ccccc2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164835518 720491279 /nfs/dbraw/zinc/49/12/79/720491279.db2.gz YXXPHGWDCBQCQN-QDSKXPNFSA-N 1 1 466.626 3.063 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164839386 720511101 /nfs/dbraw/zinc/51/11/01/720511101.db2.gz TVMQKIQRUDHAMF-JFIYKMOQSA-N 1 1 482.963 3.426 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)CC[C@@H]21 ZINC001164838743 720586047 /nfs/dbraw/zinc/58/60/47/720586047.db2.gz LKZXVJIWBRBOOW-JTAQYXEDSA-N 1 1 496.637 3.247 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)CC[C@@H]21 ZINC001164837785 720638872 /nfs/dbraw/zinc/63/88/72/720638872.db2.gz JLPXKRGCTLIPCS-ULQDDVLXSA-N 1 1 453.969 3.315 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C(=O)OCC ZINC001164843732 720650069 /nfs/dbraw/zinc/65/00/69/720650069.db2.gz XIMSFFALUUGGMX-CNNODRBYSA-N 1 1 469.586 3.009 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841971 720652292 /nfs/dbraw/zinc/65/22/92/720652292.db2.gz RJGPIOLAJQFSRS-BPQIPLTHSA-N 1 1 488.004 3.258 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)CC[C@@H]21 ZINC001164841976 720652545 /nfs/dbraw/zinc/65/25/45/720652545.db2.gz RJGPIOLAJQFSRS-SZMVWBNQSA-N 1 1 488.004 3.258 20 0 JGADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164742672 720687235 /nfs/dbraw/zinc/68/72/35/720687235.db2.gz WHTRCPRFWJNZNC-FGZHOGPDSA-N 1 1 451.534 3.338 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737317 720697698 /nfs/dbraw/zinc/69/76/98/720697698.db2.gz FQIPRBUGMZSPDM-ZWKOTPCHSA-N 1 1 468.920 3.258 20 0 JGADMO CCc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCOCC2)n1 ZINC001164843853 720701589 /nfs/dbraw/zinc/70/15/89/720701589.db2.gz RJVSDTZNDDEYPM-QHCPKHFHSA-N 1 1 451.615 3.136 20 0 JGADMO CCc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCOCC2)n1 ZINC001164843853 720701606 /nfs/dbraw/zinc/70/16/06/720701606.db2.gz RJVSDTZNDDEYPM-QHCPKHFHSA-N 1 1 451.615 3.136 20 0 JGADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2C1 ZINC001164838924 720728940 /nfs/dbraw/zinc/72/89/40/720728940.db2.gz ZLGOWJVKEUJBNI-GGAORHGYSA-N 1 1 464.610 3.405 20 0 JGADMO Cc1sc2nc(CN3CCCCC3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164745234 720761852 /nfs/dbraw/zinc/76/18/52/720761852.db2.gz UBXKVLACOPNOSD-VQTJNVASSA-N 1 1 479.654 3.426 20 0 JGADMO c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)cn1 ZINC001164738616 720762058 /nfs/dbraw/zinc/76/20/58/720762058.db2.gz GIVGRAXOVUMQNG-RTBURBONSA-N 1 1 491.665 3.298 20 0 JGADMO c1cncc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164739327 720763918 /nfs/dbraw/zinc/76/39/18/720763918.db2.gz IHLSNXRTBYWONA-QZTJIDSGSA-N 1 1 471.590 3.374 20 0 JGADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740953 720765416 /nfs/dbraw/zinc/76/54/16/720765416.db2.gz LNOZFBQQOOKLCV-RTBURBONSA-N 1 1 467.643 3.282 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164747714 720791553 /nfs/dbraw/zinc/79/15/53/720791553.db2.gz PEJVBKKBRHJCEJ-ZWKOTPCHSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164747714 720791561 /nfs/dbraw/zinc/79/15/61/720791561.db2.gz PEJVBKKBRHJCEJ-ZWKOTPCHSA-N 1 1 458.900 3.474 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@@H]43)c2c1C ZINC001164844589 720803252 /nfs/dbraw/zinc/80/32/52/720803252.db2.gz BRZPCFVUKYFHQC-QYZOEREBSA-N 1 1 455.628 3.024 20 0 JGADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748698 720803793 /nfs/dbraw/zinc/80/37/93/720803793.db2.gz RATNGUCPXJFXFG-HZPDHXFCSA-N 1 1 454.918 3.063 20 0 JGADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164750540 720804296 /nfs/dbraw/zinc/80/42/96/720804296.db2.gz VVWPEXXAWLJRAQ-ZWKOTPCHSA-N 1 1 486.967 3.386 20 0 JGADMO COc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164752009 720805654 /nfs/dbraw/zinc/80/56/54/720805654.db2.gz YKNGISXGMRSEEH-CVEARBPZSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164752009 720805656 /nfs/dbraw/zinc/80/56/56/720805656.db2.gz YKNGISXGMRSEEH-CVEARBPZSA-N 1 1 488.926 3.482 20 0 JGADMO C[C@@H]1CCCN1C(=O)c1nn(-c2ccc3c(n2)CCN(Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164850658 720805618 /nfs/dbraw/zinc/80/56/18/720805618.db2.gz VQUHNZSPXHVTRB-LJQANCHMSA-N 1 1 456.594 3.096 20 0 JGADMO COCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccccc2)n1 ZINC001164744205 720813122 /nfs/dbraw/zinc/81/31/22/720813122.db2.gz HYWJLZPEJDTTCJ-QPTUXGOLSA-N 1 1 459.598 3.261 20 0 JGADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164740689 720819218 /nfs/dbraw/zinc/81/92/18/720819218.db2.gz KPZDVVPSCQEWIZ-MELADBBJSA-N 1 1 494.818 3.351 20 0 JGADMO O=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1)N1CCCO1 ZINC001164847707 720821756 /nfs/dbraw/zinc/82/17/56/720821756.db2.gz KHFGJZGHHBFDHE-AQNXPRMDSA-N 1 1 497.665 3.456 20 0 JGADMO O=C([C@@H]1CC[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1)N1CCCO1 ZINC001164846831 720821852 /nfs/dbraw/zinc/82/18/52/720821852.db2.gz HDVUKZSWXNXGHU-ZCNNSNEGSA-N 1 1 497.665 3.456 20 0 JGADMO O=C([C@@H]1CC[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1)N1CCCO1 ZINC001164847712 720821916 /nfs/dbraw/zinc/82/19/16/720821916.db2.gz KHFGJZGHHBFDHE-ZCNNSNEGSA-N 1 1 497.665 3.456 20 0 JGADMO Clc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740821 720821961 /nfs/dbraw/zinc/82/19/61/720821961.db2.gz LMDSFBDMCBNSSF-HSALFYBXSA-N 1 1 450.978 3.163 20 0 JGADMO Clc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740827 720822169 /nfs/dbraw/zinc/82/21/69/720822169.db2.gz LMDSFBDMCBNSSF-VAMGGRTRSA-N 1 1 450.978 3.163 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164738401 720822621 /nfs/dbraw/zinc/82/26/21/720822621.db2.gz FOBDFWRAALVMKE-MBOZVWFJSA-N 1 1 484.004 3.271 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741842 720823940 /nfs/dbraw/zinc/82/39/40/720823940.db2.gz ONUXEDZTTINTPE-JTDSTZFVSA-N 1 1 480.947 3.037 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741839 720824151 /nfs/dbraw/zinc/82/41/51/720824151.db2.gz ONUXEDZTTINTPE-GPMSIDNRSA-N 1 1 480.947 3.037 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164743221 720826058 /nfs/dbraw/zinc/82/60/58/720826058.db2.gz REKCYSSDKHHPPP-JTDSTZFVSA-N 1 1 480.947 3.037 20 0 JGADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164745038 720826513 /nfs/dbraw/zinc/82/65/13/720826513.db2.gz VYVNWVSSNBXTEN-JFIYKMOQSA-N 1 1 452.937 3.259 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746116 720829676 /nfs/dbraw/zinc/82/96/76/720829676.db2.gz XZAZHWYCPZXYQB-DBXWQHBBSA-N 1 1 481.988 3.041 20 0 JGADMO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744093 720830257 /nfs/dbraw/zinc/83/02/57/720830257.db2.gz UEEQQRCKFDDTTB-LLGFUMIMSA-N 1 1 453.978 3.263 20 0 JGADMO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164746560 720832737 /nfs/dbraw/zinc/83/27/37/720832737.db2.gz OLOPAYCRLOIJCF-ZHALLVOQSA-N 1 1 453.978 3.263 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750290 720833478 /nfs/dbraw/zinc/83/34/78/720833478.db2.gz XAWVAVUNKZDPSS-CMKODMSKSA-N 1 1 458.994 3.191 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164748928 720844263 /nfs/dbraw/zinc/84/42/63/720844263.db2.gz VDJAYMDJSFQSAW-CNNODRBYSA-N 1 1 496.015 3.431 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1)C1CC1 ZINC001164746604 720844413 /nfs/dbraw/zinc/84/44/13/720844413.db2.gz PEAAOEZRUVQPPM-NEWJYFPISA-N 1 1 464.614 3.109 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1)C1CC1 ZINC001164746605 720844600 /nfs/dbraw/zinc/84/46/00/720844600.db2.gz PEAAOEZRUVQPPM-UARRHKHWSA-N 1 1 464.614 3.109 20 0 JGADMO Clc1nc2c(Cl)nccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745206 720844977 /nfs/dbraw/zinc/84/49/77/720844977.db2.gz MRNYXRMNQYNVBV-BFYDXBDKSA-N 1 1 459.385 3.303 20 0 JGADMO c1ncn(C[C@H]2C[C@H]3CN(c4nc5ccccc5nc4N4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741336 720845135 /nfs/dbraw/zinc/84/51/35/720845135.db2.gz FEBDJIFOFDYZHO-YZUZCNPQSA-N 1 1 458.614 3.201 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743142 720846548 /nfs/dbraw/zinc/84/65/48/720846548.db2.gz IXPOJGJUQGBJJZ-FRQCXROJSA-N 1 1 480.947 3.037 20 0 JGADMO O=C(c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1)N1CCCCC1 ZINC001164751832 720848795 /nfs/dbraw/zinc/84/87/95/720848795.db2.gz ZAWXDSKORXFZIR-QNWVGRARSA-N 1 1 484.048 3.332 20 0 JGADMO O=C(NC1CCCC1)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164743049 720849050 /nfs/dbraw/zinc/84/90/50/720849050.db2.gz IGXBCVNMSFYFDE-XKCSPQBFSA-N 1 1 484.048 3.378 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164744861 720852616 /nfs/dbraw/zinc/85/26/16/720852616.db2.gz COWRNYMGCDZERS-MZLICYQSSA-N 1 1 475.597 3.132 20 0 JGADMO COC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc2c1OC ZINC001164746185 720853575 /nfs/dbraw/zinc/85/35/75/720853575.db2.gz GHUIUNKPTSIFTE-NNMXDRDESA-N 1 1 476.581 3.001 20 0 JGADMO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)s1 ZINC001164748113 720854868 /nfs/dbraw/zinc/85/48/68/720854868.db2.gz KCZAAENVNWLTMW-QKNQBKEWSA-N 1 1 450.616 3.188 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)CC[C@H]2C1 ZINC001164858235 720855188 /nfs/dbraw/zinc/85/51/88/720855188.db2.gz RSARXYNGWHRZEY-LAUBAEHRSA-N 1 1 462.953 3.300 20 0 JGADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164751114 720855495 /nfs/dbraw/zinc/85/54/95/720855495.db2.gz QBMMKGBNAOVIAW-PWRODBHTSA-N 1 1 465.005 3.471 20 0 JGADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752516 720855584 /nfs/dbraw/zinc/85/55/84/720855584.db2.gz STBVYJYDYXLUAT-RBZQAINGSA-N 1 1 459.598 3.335 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164749470 720855913 /nfs/dbraw/zinc/85/59/13/720855913.db2.gz NGFMWHAUBXRJGK-VDKIKQQVSA-N 1 1 488.640 3.093 20 0 JGADMO Cc1nc([C@H]2COCCN2c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)cs1 ZINC001164753043 720863928 /nfs/dbraw/zinc/86/39/28/720863928.db2.gz VNGFRVMRPKKANV-LAUBAEHRSA-N 1 1 473.643 3.223 20 0 JGADMO Cc1nc([C@H]2COCCN2c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)cs1 ZINC001164753043 720863930 /nfs/dbraw/zinc/86/39/30/720863930.db2.gz VNGFRVMRPKKANV-LAUBAEHRSA-N 1 1 473.643 3.223 20 0 JGADMO CN(C)c1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748405 720869753 /nfs/dbraw/zinc/86/97/53/720869753.db2.gz DQFWKCBZXFBIKG-YKSBVNFPSA-N 1 1 457.022 3.346 20 0 JGADMO CCOC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753823 720870146 /nfs/dbraw/zinc/87/01/46/720870146.db2.gz QCDAUFJPNOTDKG-JYFHCDHNSA-N 1 1 450.583 3.408 20 0 JGADMO COc1cnc(SC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752995 720873370 /nfs/dbraw/zinc/87/33/70/720873370.db2.gz ODFWWHJDRPFOTF-HYBUGGRVSA-N 1 1 455.628 3.357 20 0 JGADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(CN4CCOCC4)cn2)C3)c1 ZINC001164754888 720873402 /nfs/dbraw/zinc/87/34/02/720873402.db2.gz UKFPGWBZBYDGOM-XCZPVHLTSA-N 1 1 477.653 3.064 20 0 JGADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1 ZINC001164859336 720876464 /nfs/dbraw/zinc/87/64/64/720876464.db2.gz MTILSOOOFMICNJ-VQTJNVASSA-N 1 1 461.676 3.323 20 0 JGADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754027 720879394 /nfs/dbraw/zinc/87/93/94/720879394.db2.gz QTQUJWFIUYWMSX-ZBLYBZFDSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754027 720879396 /nfs/dbraw/zinc/87/93/96/720879396.db2.gz QTQUJWFIUYWMSX-ZBLYBZFDSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754027 720879402 /nfs/dbraw/zinc/87/94/02/720879402.db2.gz QTQUJWFIUYWMSX-ZBLYBZFDSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754018 720879564 /nfs/dbraw/zinc/87/95/64/720879564.db2.gz QTQUJWFIUYWMSX-JIPXPUAJSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754018 720879566 /nfs/dbraw/zinc/87/95/66/720879566.db2.gz QTQUJWFIUYWMSX-JIPXPUAJSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754018 720879567 /nfs/dbraw/zinc/87/95/67/720879567.db2.gz QTQUJWFIUYWMSX-JIPXPUAJSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752925 720879810 /nfs/dbraw/zinc/87/98/10/720879810.db2.gz NMBIQPQYXCWRSR-NLFFAJNJSA-N 1 1 486.016 3.457 20 0 JGADMO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753842 720880826 /nfs/dbraw/zinc/88/08/26/720880826.db2.gz QDVCIUWAPHDTIO-MHECFPHRSA-N 1 1 473.980 3.123 20 0 JGADMO COC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164752222 720880954 /nfs/dbraw/zinc/88/09/54/720880954.db2.gz MBCQHQUBNDWCST-BKMJKUGQSA-N 1 1 450.583 3.327 20 0 JGADMO COC(=O)c1c[nH]c2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164751655 720882182 /nfs/dbraw/zinc/88/21/82/720882182.db2.gz DBGAXVLNIWRPTN-ZBLYBZFDSA-N 1 1 475.593 3.500 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756917 720886321 /nfs/dbraw/zinc/88/63/21/720886321.db2.gz SCYSHRLDUHZLKB-NBGIEHNGSA-N 1 1 486.016 3.457 20 0 JGADMO CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755339 720891234 /nfs/dbraw/zinc/89/12/34/720891234.db2.gz LAVKXARFIVUALQ-IGKIAQTJSA-N 1 1 464.610 3.337 20 0 JGADMO O=c1cc2[nH]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(Cl)cc-2[nH]1 ZINC001164756555 720892562 /nfs/dbraw/zinc/89/25/62/720892562.db2.gz QGTSVSBWKOLIPG-CLOONOSVSA-N 1 1 468.001 3.380 20 0 JGADMO CC(C)c1nc(N(C)C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755036 720895725 /nfs/dbraw/zinc/89/57/25/720895725.db2.gz KJZVQVCQVGJKHZ-GJZUVCINSA-N 1 1 465.646 3.211 20 0 JGADMO COC(=O)c1cc(C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753405 720896414 /nfs/dbraw/zinc/89/64/14/720896414.db2.gz GTWWHMXZVZCPBT-ATIYNZHBSA-N 1 1 450.583 3.327 20 0 JGADMO CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(N2CCOCC2)n1 ZINC001164755698 720897752 /nfs/dbraw/zinc/89/77/52/720897752.db2.gz MQOFTGZHEAIJST-YWEHKCAJSA-N 1 1 492.668 3.026 20 0 JGADMO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cccc(N4CCOCC4)n2)C3)c1 ZINC001164749674 720899515 /nfs/dbraw/zinc/89/95/15/720899515.db2.gz ANVTXNYURRQCBT-SQHAQQRYSA-N 1 1 463.626 3.068 20 0 JGADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cccc(N4CCOCC4)n2)C3)c1 ZINC001164749674 720899516 /nfs/dbraw/zinc/89/95/16/720899516.db2.gz ANVTXNYURRQCBT-SQHAQQRYSA-N 1 1 463.626 3.068 20 0 JGADMO COC(OC)c1c(CO)ccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752820 720900352 /nfs/dbraw/zinc/90/03/52/720900352.db2.gz GADCAPUIKYMHDT-YIXXDRMTSA-N 1 1 482.625 3.015 20 0 JGADMO COC(=O)c1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747440 720922731 /nfs/dbraw/zinc/92/27/31/720922731.db2.gz DFDFHNRFHODSBI-NTKDMRAZSA-N 1 1 471.989 3.067 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc1Cl ZINC001164861490 720925107 /nfs/dbraw/zinc/92/51/07/720925107.db2.gz SZFVQBSYBZNKAQ-ZDUSSCGKSA-N 1 1 456.925 3.470 20 0 JGADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCSCC4)ncn2)C3)c1 ZINC001164753663 720925711 /nfs/dbraw/zinc/92/57/11/720925711.db2.gz RWWKBTAVPIVQMN-OZXSUGGESA-N 1 1 480.682 3.180 20 0 JGADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCSCC4)ncn2)C3)c1 ZINC001164753658 720926156 /nfs/dbraw/zinc/92/61/56/720926156.db2.gz RWWKBTAVPIVQMN-JYFHCDHNSA-N 1 1 480.682 3.180 20 0 JGADMO COCCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754611 720933378 /nfs/dbraw/zinc/93/33/78/720933378.db2.gz WERXGTMMEWJWPR-SHQCIBLASA-N 1 1 480.609 3.035 20 0 JGADMO COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2c1ccn2C ZINC001164746558 720934365 /nfs/dbraw/zinc/93/43/65/720934365.db2.gz BRUMGIHZYMGLBN-QFQXNSOFSA-N 1 1 462.598 3.127 20 0 JGADMO CCOC(=O)Cc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752194 720935826 /nfs/dbraw/zinc/93/58/26/720935826.db2.gz NNMGJLNGNAIUKF-RPLLCQBOSA-N 1 1 464.610 3.337 20 0 JGADMO CCOC(=O)Cc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752198 720936476 /nfs/dbraw/zinc/93/64/76/720936476.db2.gz NNMGJLNGNAIUKF-SHQCIBLASA-N 1 1 464.610 3.337 20 0 JGADMO CCNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754620 720938753 /nfs/dbraw/zinc/93/87/53/720938753.db2.gz WHDYCZZEGYZBMU-NLFFAJNJSA-N 1 1 485.032 3.030 20 0 JGADMO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750860 720939035 /nfs/dbraw/zinc/93/90/35/720939035.db2.gz KZBKENJHWDBBHH-OIBXWCBGSA-N 1 1 461.969 3.408 20 0 JGADMO CC(=O)Oc1cc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1OC(C)=O ZINC001164859008 720983845 /nfs/dbraw/zinc/98/38/45/720983845.db2.gz KIBFEKXGUNGXMF-HNNXBMFYSA-N 1 1 466.542 3.098 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4CO[C@@H](CNC(=O)N(C)C)[C@@H]4C3)c2c1C ZINC001164756166 720996633 /nfs/dbraw/zinc/99/66/33/720996633.db2.gz FYCBWKSHWLHHBO-AQNXPRMDSA-N 1 1 486.686 3.407 20 0 JGADMO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164756202 720996923 /nfs/dbraw/zinc/99/69/23/720996923.db2.gz GHTMTJDJWSBSMT-SXLOBPIMSA-N 1 1 498.697 3.278 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)[C@@H]2C ZINC001164861939 721002480 /nfs/dbraw/zinc/00/24/80/721002480.db2.gz RLCKXWWTSZWDBV-OAQYLSRUSA-N 1 1 460.630 3.421 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)[C@H]2C ZINC001164861937 721003228 /nfs/dbraw/zinc/00/32/28/721003228.db2.gz RLCKXWWTSZWDBV-NRFANRHFSA-N 1 1 460.630 3.421 20 0 JGADMO Clc1nc2c(c(N3CCc4[nH+]cc(Cn5cccn5)n4CC3)n1)CN(Cc1ccccc1)C2 ZINC001164862045 721031599 /nfs/dbraw/zinc/03/15/99/721031599.db2.gz KVZYLHQBWDCGKG-UHFFFAOYSA-N 1 1 460.973 3.150 20 0 JGADMO COc1ccc2nc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)nc(Cl)c2c1 ZINC001164861315 721033458 /nfs/dbraw/zinc/03/34/58/721033458.db2.gz GHEBYYWAWQYUMF-UHFFFAOYSA-N 1 1 459.888 3.341 20 0 JGADMO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cn1 ZINC001164762974 721038007 /nfs/dbraw/zinc/03/80/07/721038007.db2.gz JJWWRMYYAGFWNI-VQTJNVASSA-N 1 1 491.665 3.393 20 0 JGADMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164774612 721051717 /nfs/dbraw/zinc/05/17/17/721051717.db2.gz XHHUQBJAWDHBJD-LOSJGSFVSA-N 1 1 454.578 3.118 20 0 JGADMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164774612 721051724 /nfs/dbraw/zinc/05/17/24/721051724.db2.gz XHHUQBJAWDHBJD-LOSJGSFVSA-N 1 1 454.578 3.118 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866903 721061033 /nfs/dbraw/zinc/06/10/33/721061033.db2.gz GXEQOGOQGAIFLA-QZTJIDSGSA-N 1 1 464.948 3.150 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164774161 721066843 /nfs/dbraw/zinc/06/68/43/721066843.db2.gz YZCZEJHVKDGMLR-YYDVJCTNSA-N 1 1 494.665 3.409 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164760974 721093703 /nfs/dbraw/zinc/09/37/03/721093703.db2.gz AGQXEHAIVLOZOJ-IFMALSPDSA-N 1 1 465.001 3.357 20 0 JGADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865538 721097135 /nfs/dbraw/zinc/09/71/35/721097135.db2.gz MMMDMNDMMGBNRZ-DHIUTWEWSA-N 1 1 458.541 3.493 20 0 JGADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864691 721108705 /nfs/dbraw/zinc/10/87/05/721108705.db2.gz GOXWOWRLFRVPMZ-IEBWSBKVSA-N 1 1 456.909 3.331 20 0 JGADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865377 721110635 /nfs/dbraw/zinc/11/06/35/721110635.db2.gz KNAGHHRDQQYHBM-JTHBVZDNSA-N 1 1 493.633 3.213 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164768172 721112412 /nfs/dbraw/zinc/11/24/12/721112412.db2.gz NNWPYXCJOAWTRY-MSOLQXFVSA-N 1 1 452.584 3.074 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164877573 721135210 /nfs/dbraw/zinc/13/52/10/721135210.db2.gz OQZOBKFOVHFARH-ISKFKSNPSA-N 1 1 485.588 3.121 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164874530 721143967 /nfs/dbraw/zinc/14/39/67/721143967.db2.gz KKERNRILRDQAAN-FGZHOGPDSA-N 1 1 494.665 3.015 20 0 JGADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164879439 721171029 /nfs/dbraw/zinc/17/10/29/721171029.db2.gz SGBYAHRCAGYXGZ-WOJBJXKFSA-N 1 1 477.565 3.044 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3N(c4ncccn4)CCC[C@]3(C(=O)NC)C2)nc1 ZINC001164868099 721208635 /nfs/dbraw/zinc/20/86/35/721208635.db2.gz KMCSXPDRDAKHLG-DRLORSAXSA-N 1 1 463.630 3.030 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2cnccn2)CCO3)nc1 ZINC001164869103 721216314 /nfs/dbraw/zinc/21/63/14/721216314.db2.gz BSRDQDAQIZPJGT-HNVPCBRESA-N 1 1 464.614 3.367 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C[C@@H]3C2)cn1 ZINC001164767278 721249003 /nfs/dbraw/zinc/24/90/03/721249003.db2.gz WONKQJWGMBTNNI-IRXDYDNUSA-N 1 1 450.418 3.466 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)cn1 ZINC001164769359 721264345 /nfs/dbraw/zinc/26/43/45/721264345.db2.gz YAQWUGIFLNOEDV-MOPGFXCFSA-N 1 1 477.638 3.050 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5OCCN(c6cnccn6)[C@@H]5C4)c32)C1 ZINC001164765192 721264705 /nfs/dbraw/zinc/26/47/05/721264705.db2.gz JHAYCECJZUBCAQ-MISYRCLQSA-N 1 1 491.665 3.296 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccc(F)cc4)nc4ccccc43)CC2)C1 ZINC001164873280 721285310 /nfs/dbraw/zinc/28/53/10/721285310.db2.gz KMZQPOVRZSJNSG-UHFFFAOYSA-N 1 1 477.584 3.443 20 0 JGADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)nc1 ZINC001164879208 721291508 /nfs/dbraw/zinc/29/15/08/721291508.db2.gz XBIVTDDCIULELL-HSZRJFAPSA-N 1 1 457.663 3.026 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)nc1 ZINC001164879208 721291513 /nfs/dbraw/zinc/29/15/13/721291513.db2.gz XBIVTDDCIULELL-HSZRJFAPSA-N 1 1 457.663 3.026 20 0 JGADMO O=S(=O)(c1ccccc1)n1c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)cc2c1ncnc2Cl ZINC001164769827 721295074 /nfs/dbraw/zinc/29/50/74/721295074.db2.gz OCMWJUZLNXGDMR-UHFFFAOYSA-N 1 1 457.987 3.244 20 0 JGADMO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164876637 721296710 /nfs/dbraw/zinc/29/67/10/721296710.db2.gz KOFJTOLGAYHHIL-SQJMNOBHSA-N 1 1 489.645 3.464 20 0 JGADMO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164876637 721296715 /nfs/dbraw/zinc/29/67/15/721296715.db2.gz KOFJTOLGAYHHIL-SQJMNOBHSA-N 1 1 489.645 3.464 20 0 JGADMO Cc1ccc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]32)nn1 ZINC001164775712 721312652 /nfs/dbraw/zinc/31/26/52/721312652.db2.gz IQHVHBVTYKTPPF-UXHICEINSA-N 1 1 491.665 3.358 20 0 JGADMO Cc1ccc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)nn1 ZINC001164776189 721312764 /nfs/dbraw/zinc/31/27/64/721312764.db2.gz MEQFMAFCVPXHEG-UXHICEINSA-N 1 1 491.665 3.358 20 0 JGADMO CCOC(=O)/C=C/c1cccnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778863 721334756 /nfs/dbraw/zinc/33/47/56/721334756.db2.gz ZMZBTIHJJGAFDJ-DRUWVYPFSA-N 1 1 454.571 3.382 20 0 JGADMO COC(=O)c1ccc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncc2c1 ZINC001164776608 721337667 /nfs/dbraw/zinc/33/76/67/721337667.db2.gz GSWSLERLHOHEKK-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1ccc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncc2c1 ZINC001164776608 721337673 /nfs/dbraw/zinc/33/76/73/721337673.db2.gz GSWSLERLHOHEKK-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(NC(=O)C(C)(C)C)nn3)C2)C1 ZINC001164776848 721349349 /nfs/dbraw/zinc/34/93/49/721349349.db2.gz DIMXATBGCIJPKD-DEOSSOPVSA-N 1 1 456.591 3.185 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(NC(=O)C(C)(C)C)nn3)C2)C1 ZINC001164776848 721349354 /nfs/dbraw/zinc/34/93/54/721349354.db2.gz DIMXATBGCIJPKD-DEOSSOPVSA-N 1 1 456.591 3.185 20 0 JGADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777407 721350603 /nfs/dbraw/zinc/35/06/03/721350603.db2.gz GTQXWXSGWZQKAZ-RUZDIDTESA-N 1 1 469.586 3.255 20 0 JGADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777407 721350606 /nfs/dbraw/zinc/35/06/06/721350606.db2.gz GTQXWXSGWZQKAZ-RUZDIDTESA-N 1 1 469.586 3.255 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)C2)C1 ZINC001164785282 721363448 /nfs/dbraw/zinc/36/34/48/721363448.db2.gz SYICPNLNCLLPSC-DEOSSOPVSA-N 1 1 489.020 3.218 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)C2)C1 ZINC001164785282 721363450 /nfs/dbraw/zinc/36/34/50/721363450.db2.gz SYICPNLNCLLPSC-DEOSSOPVSA-N 1 1 489.020 3.218 20 0 JGADMO COc1cc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(Cl)n1 ZINC001164783761 721376122 /nfs/dbraw/zinc/37/61/22/721376122.db2.gz OWJQMAXRGLOBFS-HXUWFJFHSA-N 1 1 471.936 3.407 20 0 JGADMO COc1cc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(Cl)n1 ZINC001164783761 721376125 /nfs/dbraw/zinc/37/61/25/721376125.db2.gz OWJQMAXRGLOBFS-HXUWFJFHSA-N 1 1 471.936 3.407 20 0 JGADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001164783056 721378823 /nfs/dbraw/zinc/37/88/23/721378823.db2.gz NFXLXAXZYRCBNA-YIOBJHAYSA-N 1 1 483.616 3.449 20 0 JGADMO COCc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccccc2)n1 ZINC001164890921 721385660 /nfs/dbraw/zinc/38/56/60/721385660.db2.gz PICOSRBYXZXMQP-JYFHCDHNSA-N 1 1 451.615 3.055 20 0 JGADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164781000 721395017 /nfs/dbraw/zinc/39/50/17/721395017.db2.gz AAYKBRXOAPPPOL-HDICACEKSA-N 1 1 480.619 3.001 20 0 JGADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164781000 721395019 /nfs/dbraw/zinc/39/50/19/721395019.db2.gz AAYKBRXOAPPPOL-HDICACEKSA-N 1 1 480.619 3.001 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164892196 721395486 /nfs/dbraw/zinc/39/54/86/721395486.db2.gz SBORHFFKKCGHLU-KDOFPFPSSA-N 1 1 450.361 3.094 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C3)O2)CC1 ZINC001164887996 721396409 /nfs/dbraw/zinc/39/64/09/721396409.db2.gz IZMFMFAFSMKQTH-ZUOKHONESA-N 1 1 486.835 3.145 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C3)O2)CC1 ZINC001164884452 721397637 /nfs/dbraw/zinc/39/76/37/721397637.db2.gz BBUCMWKOJGQGNT-AMGIVPHBSA-N 1 1 497.087 3.411 20 0 JGADMO Cc1cc2c(ncnc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164789214 721399006 /nfs/dbraw/zinc/39/90/06/721399006.db2.gz UIJAZHIGZKIOFB-ROUUACIJSA-N 1 1 480.619 3.001 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164883526 721403877 /nfs/dbraw/zinc/40/38/77/721403877.db2.gz ANNITCTYIFUMQB-UQBPGWFLSA-N 1 1 485.654 3.147 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5cc(F)c(F)cc5nc4Cl)C3)O2)CC1 ZINC001164893096 721404004 /nfs/dbraw/zinc/40/40/04/721404004.db2.gz ZYDZATFRXSXHIR-QRQCRPRQSA-N 1 1 451.949 3.327 20 0 JGADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787228 721420144 /nfs/dbraw/zinc/42/01/44/721420144.db2.gz PRMJWLROMMMLSE-RGBLOPSHSA-N 1 1 469.611 3.277 20 0 JGADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787228 721420147 /nfs/dbraw/zinc/42/01/47/721420147.db2.gz PRMJWLROMMMLSE-RGBLOPSHSA-N 1 1 469.611 3.277 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164896228 721426147 /nfs/dbraw/zinc/42/61/47/721426147.db2.gz RGNUJAAVEBIGSI-AVRDEDQJSA-N 1 1 481.975 3.473 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164899506 721426257 /nfs/dbraw/zinc/42/62/57/721426257.db2.gz YSGCOGJCJMDBKE-WIOPSUGQSA-N 1 1 456.034 3.486 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccn(C(=O)c6ccccc6)c5n4)C3)O2)CC1 ZINC001164893774 721429555 /nfs/dbraw/zinc/42/95/55/721429555.db2.gz KKGPOLJFAZANKD-CUBQBAPOSA-N 1 1 473.621 3.490 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164888665 721431059 /nfs/dbraw/zinc/43/10/59/721431059.db2.gz AAGVACKQTYRSIH-UQBPGWFLSA-N 1 1 488.032 3.225 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5cccnc5)nc5ccccc54)C3)O2)CC1 ZINC001164898645 721433481 /nfs/dbraw/zinc/43/34/81/721433481.db2.gz WILCMVGVDRUJEO-AJTFRIOCSA-N 1 1 458.610 3.457 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C(=O)OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164889567 721438709 /nfs/dbraw/zinc/43/87/09/721438709.db2.gz BSWAOJKKCFFVDM-SQHAQQRYSA-N 1 1 464.610 3.204 20 0 JGADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc(Cl)nc2)n1 ZINC001164898695 721445001 /nfs/dbraw/zinc/44/50/01/721445001.db2.gz WODPSCSCUDNSRH-GBXCKJPGSA-N 1 1 457.022 3.266 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164788745 721448370 /nfs/dbraw/zinc/44/83/70/721448370.db2.gz UBWYJODIGGUZHD-QFIPXVFZSA-N 1 1 456.631 3.052 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164787721 721451596 /nfs/dbraw/zinc/45/15/96/721451596.db2.gz QAFCOMRGETVBLR-HSZRJFAPSA-N 1 1 470.658 3.442 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164892746 721451741 /nfs/dbraw/zinc/45/17/41/721451741.db2.gz XVJUXHGFFWYUHO-WIYYLYMNSA-N 1 1 487.979 3.137 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164788598 721453764 /nfs/dbraw/zinc/45/37/64/721453764.db2.gz RQPOGPIWIOBRLM-LJQANCHMSA-N 1 1 451.995 3.256 20 0 JGADMO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1 ZINC001164889043 721458447 /nfs/dbraw/zinc/45/84/47/721458447.db2.gz NEDGOXRQGYEYGA-UFYCRDLUSA-N 1 1 481.666 3.428 20 0 JGADMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1 ZINC001164889037 721458554 /nfs/dbraw/zinc/45/85/54/721458554.db2.gz NEDGOXRQGYEYGA-AABGKKOBSA-N 1 1 481.666 3.428 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164787537 721458877 /nfs/dbraw/zinc/45/88/77/721458877.db2.gz RGENEWBKNVCCIW-HSZRJFAPSA-N 1 1 495.668 3.200 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cl)c(C(=O)OC)n1)CC2 ZINC001164784873 721458928 /nfs/dbraw/zinc/45/89/28/721458928.db2.gz KNSGCUCYYRRJKS-GOSISDBHSA-N 1 1 451.995 3.256 20 0 JGADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788660 721459584 /nfs/dbraw/zinc/45/95/84/721459584.db2.gz VKNOIXDYCPXBAQ-NRFANRHFSA-N 1 1 472.630 3.265 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)nc(-c3ccccc3)n1)CC2 ZINC001164786876 721462355 /nfs/dbraw/zinc/46/23/55/721462355.db2.gz QCZCCNARJQGLFL-QFIPXVFZSA-N 1 1 467.614 3.281 20 0 JGADMO CCOC(=O)c1cc2ccc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)[nH]c-2n1 ZINC001164782742 721462760 /nfs/dbraw/zinc/46/27/60/721462760.db2.gz BIDOFYWMLZNCIJ-NRFANRHFSA-N 1 1 470.614 3.474 20 0 JGADMO CCOC(=O)c1cc2ccc(N3CCC4(C[C@@H](COCC5CC5)[N@H+](CCOC)C4)CC3)nc2[nH]1 ZINC001164782742 721462762 /nfs/dbraw/zinc/46/27/62/721462762.db2.gz BIDOFYWMLZNCIJ-NRFANRHFSA-N 1 1 470.614 3.474 20 0 JGADMO CCOC(=O)c1cc2ccc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)nc2[nH]1 ZINC001164782742 721462766 /nfs/dbraw/zinc/46/27/66/721462766.db2.gz BIDOFYWMLZNCIJ-NRFANRHFSA-N 1 1 470.614 3.474 20 0 JGADMO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164782733 721463004 /nfs/dbraw/zinc/46/30/04/721463004.db2.gz BFYNOOSEZRUBDV-WCYCAPIHSA-N 1 1 457.615 3.392 20 0 JGADMO CCOCc1cnc(Cl)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164782799 721464588 /nfs/dbraw/zinc/46/45/88/721464588.db2.gz CIOXFIYQZXCISS-FQEVSTJZSA-N 1 1 453.027 3.400 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(N3CCC(C)CC3)nn1)CC2 ZINC001164789985 721467435 /nfs/dbraw/zinc/46/74/35/721467435.db2.gz PSSXYHVUJBHZAG-HSZRJFAPSA-N 1 1 457.663 3.447 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164787248 721467458 /nfs/dbraw/zinc/46/74/58/721467458.db2.gz DPFDPRFJWOLKLH-MRXNPFEDSA-N 1 1 484.979 3.237 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164787476 721470092 /nfs/dbraw/zinc/47/00/92/721470092.db2.gz FZVJGKFQEQPTLJ-MRXNPFEDSA-N 1 1 481.428 3.461 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164787223 721473523 /nfs/dbraw/zinc/47/35/23/721473523.db2.gz DMRJNRFLYMSINB-PMACEKPBSA-N 1 1 481.037 3.032 20 0 JGADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164788073 721473819 /nfs/dbraw/zinc/47/38/19/721473819.db2.gz IBXXLNVANJTPOC-LJQANCHMSA-N 1 1 480.053 3.004 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164786429 721474198 /nfs/dbraw/zinc/47/41/98/721474198.db2.gz BFUUWOFNQPWFID-IEBWSBKVSA-N 1 1 481.037 3.140 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)c2c1C ZINC001164892640 721483631 /nfs/dbraw/zinc/48/36/31/721483631.db2.gz AXHDYZMYFGKDFD-UQBPGWFLSA-N 1 1 469.655 3.273 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164794864 721528265 /nfs/dbraw/zinc/52/82/65/721528265.db2.gz IQPTZMSAOVIZPU-FGTMMUONSA-N 1 1 481.931 3.115 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164794864 721528269 /nfs/dbraw/zinc/52/82/69/721528269.db2.gz IQPTZMSAOVIZPU-FGTMMUONSA-N 1 1 481.931 3.115 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2c1 ZINC001164807168 721531897 /nfs/dbraw/zinc/53/18/97/721531897.db2.gz PVRZREMKPRMARQ-QHAWAJNXSA-N 1 1 467.957 3.333 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2c1 ZINC001164807168 721531901 /nfs/dbraw/zinc/53/19/01/721531901.db2.gz PVRZREMKPRMARQ-QHAWAJNXSA-N 1 1 467.957 3.333 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906877 721539494 /nfs/dbraw/zinc/53/94/94/721539494.db2.gz LQJRUKKTOMKRNI-UKRRQHHQSA-N 1 1 455.317 3.441 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@H+]3C2)c1 ZINC001164911434 721541940 /nfs/dbraw/zinc/54/19/40/721541940.db2.gz WRWDKRCVVRBTEK-JTHBVZDNSA-N 1 1 475.572 3.405 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cnc1Cl ZINC001164806578 721543824 /nfs/dbraw/zinc/54/38/24/721543824.db2.gz OTAAZEKJULKUIW-FHWLQOOXSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cnc1Cl ZINC001164806578 721543828 /nfs/dbraw/zinc/54/38/28/721543828.db2.gz OTAAZEKJULKUIW-FHWLQOOXSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906927 721546787 /nfs/dbraw/zinc/54/67/87/721546787.db2.gz LVPKSZVRLJDABC-MJGOQNOKSA-N 1 1 470.545 3.334 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)[C@H]2CCCO[C@@H]12 ZINC001164799186 721552466 /nfs/dbraw/zinc/55/24/66/721552466.db2.gz BAUSTAAEPQGREE-YOUFYPILSA-N 1 1 484.004 3.442 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)[C@H]2CCCO[C@@H]12 ZINC001164799186 721552469 /nfs/dbraw/zinc/55/24/69/721552469.db2.gz BAUSTAAEPQGREE-YOUFYPILSA-N 1 1 484.004 3.442 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3COC(=O)C(C)(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164802452 721554877 /nfs/dbraw/zinc/55/48/77/721554877.db2.gz IQNVFSYQHPMOFQ-YPAWHYETSA-N 1 1 478.597 3.241 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164808242 721563837 /nfs/dbraw/zinc/56/38/37/721563837.db2.gz UUBNVFUHQHZMNJ-SQGPQFPESA-N 1 1 460.916 3.486 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164808242 721563841 /nfs/dbraw/zinc/56/38/41/721563841.db2.gz UUBNVFUHQHZMNJ-SQGPQFPESA-N 1 1 460.916 3.486 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2s1 ZINC001164798530 721567168 /nfs/dbraw/zinc/56/71/68/721567168.db2.gz BEXIWMRWGZBPKB-BJLQDIEVSA-N 1 1 453.568 3.131 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2s1 ZINC001164798530 721567170 /nfs/dbraw/zinc/56/71/70/721567170.db2.gz BEXIWMRWGZBPKB-BJLQDIEVSA-N 1 1 453.568 3.131 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)CC[N@H+]3C2)c1 ZINC001164904293 721568414 /nfs/dbraw/zinc/56/84/14/721568414.db2.gz DUQRAJLORGWJFC-NVXWUHKLSA-N 1 1 468.360 3.101 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808870 721569047 /nfs/dbraw/zinc/56/90/47/721569047.db2.gz WBOSBNSSGMEWCW-CCDWMCETSA-N 1 1 474.609 3.279 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808870 721569048 /nfs/dbraw/zinc/56/90/48/721569048.db2.gz WBOSBNSSGMEWCW-CCDWMCETSA-N 1 1 474.609 3.279 20 0 JGADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@H]2C1=O ZINC001164901258 721575322 /nfs/dbraw/zinc/57/53/22/721575322.db2.gz CQTHLSVSWGNLNW-QWFCFKBJSA-N 1 1 483.682 3.343 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164798226 721576783 /nfs/dbraw/zinc/57/67/83/721576783.db2.gz BAEHAGQKEXMHNI-HBFSDRIKSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164798226 721576785 /nfs/dbraw/zinc/57/67/85/721576785.db2.gz BAEHAGQKEXMHNI-HBFSDRIKSA-N 1 1 466.916 3.330 20 0 JGADMO CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001164905766 721578951 /nfs/dbraw/zinc/57/89/51/721578951.db2.gz WJTXCAVHXGYZEU-XMMPIXPASA-N 1 1 469.630 3.318 20 0 JGADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@]5(CCCN(c6cnccn6)C5)C4)ccc3C2)cc1 ZINC001164902249 721579877 /nfs/dbraw/zinc/57/98/77/721579877.db2.gz DSIIWRQHAIBRDI-MHZLTWQESA-N 1 1 456.594 3.306 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799289 721582070 /nfs/dbraw/zinc/58/20/70/721582070.db2.gz AQDXCLZCDGXAMT-IPMKNSEASA-N 1 1 486.001 3.102 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799289 721582071 /nfs/dbraw/zinc/58/20/71/721582071.db2.gz AQDXCLZCDGXAMT-IPMKNSEASA-N 1 1 486.001 3.102 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)nc1 ZINC001164904505 721582332 /nfs/dbraw/zinc/58/23/32/721582332.db2.gz QVJJBVUFBHUAHU-ISKFKSNPSA-N 1 1 480.657 3.491 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164801880 721585193 /nfs/dbraw/zinc/58/51/93/721585193.db2.gz GCAFJULQBPASRD-SKVJQKLOSA-N 1 1 485.636 3.066 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)cc1 ZINC001164809455 721587748 /nfs/dbraw/zinc/58/77/48/721587748.db2.gz SEEILWZRWUUBAZ-KYPHJKQUSA-N 1 1 474.609 3.385 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)cc1 ZINC001164809455 721587751 /nfs/dbraw/zinc/58/77/51/721587751.db2.gz SEEILWZRWUUBAZ-KYPHJKQUSA-N 1 1 474.609 3.385 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)nc1 ZINC001164797350 721594445 /nfs/dbraw/zinc/59/44/45/721594445.db2.gz GIXJCICRKAVXIE-URXFXBBRSA-N 1 1 456.612 3.329 20 0 JGADMO c1cnn(C[C@@H]2CC[C@@]3(COCCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164808216 721607424 /nfs/dbraw/zinc/60/74/24/721607424.db2.gz XFBVMZWOEGVLMQ-RPLLCQBOSA-N 1 1 459.594 3.291 20 0 JGADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164906692 721693528 /nfs/dbraw/zinc/69/35/28/721693528.db2.gz OORUYPSGYNHZNU-QFIPXVFZSA-N 1 1 456.497 3.267 20 0 JGADMO O=C1NCCc2[nH]c(-c3ccnc(N4CCC(F)(F)[C@]5(CC[N@@H+](Cc6ccccn6)C5)C4)c3)cc21 ZINC001164903767 721701658 /nfs/dbraw/zinc/70/16/58/721701658.db2.gz CEYAOCMVTLDNSU-VWLOTQADSA-N 1 1 478.547 3.495 20 0 JGADMO FC1(F)CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906444 721723056 /nfs/dbraw/zinc/72/30/56/721723056.db2.gz MANIZDMWGBGCFV-DEOSSOPVSA-N 1 1 484.599 3.205 20 0 JGADMO COc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(N2CCCCCC2)n1 ZINC001164905560 721723380 /nfs/dbraw/zinc/72/33/80/721723380.db2.gz HKRAMHRHBZCNRJ-QHCPKHFHSA-N 1 1 473.572 3.393 20 0 JGADMO CCCNC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913839 721738478 /nfs/dbraw/zinc/73/84/78/721738478.db2.gz YVACIPHJCJYXGT-NRFANRHFSA-N 1 1 464.948 3.403 20 0 JGADMO COc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(N2CCCCCC2)n1 ZINC001164912561 721761103 /nfs/dbraw/zinc/76/11/03/721761103.db2.gz ZYONBTRQJHDOBR-UHFFFAOYSA-N 1 1 463.586 3.443 20 0 JGADMO COc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(N2CCCCCC2)n1 ZINC001164912561 721761111 /nfs/dbraw/zinc/76/11/11/721761111.db2.gz ZYONBTRQJHDOBR-UHFFFAOYSA-N 1 1 463.586 3.443 20 0 JGADMO O=C1N(c2cncnc2)CC[C@]12CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001165023690 721783901 /nfs/dbraw/zinc/78/39/01/721783901.db2.gz TWWJSBGUFJYORF-MHZLTWQESA-N 1 1 454.578 3.453 20 0 JGADMO Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)cc1 ZINC001164914097 721786269 /nfs/dbraw/zinc/78/62/69/721786269.db2.gz BLTJQPACHIHJHC-MHZLTWQESA-N 1 1 488.567 3.122 20 0 JGADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]32)cc1 ZINC001165024371 721794786 /nfs/dbraw/zinc/79/47/86/721794786.db2.gz SJIVRPRFCUWDDK-SXOMAYOGSA-N 1 1 484.600 3.265 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164914333 721800069 /nfs/dbraw/zinc/80/00/69/721800069.db2.gz LXIBEEOEOCHHDM-RSXGOPAZSA-N 1 1 451.615 3.131 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018770 721816582 /nfs/dbraw/zinc/81/65/82/721816582.db2.gz AAFHBZRDXVJIKE-WDSOQIARSA-N 1 1 484.004 3.175 20 0 JGADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923427 721851872 /nfs/dbraw/zinc/85/18/72/721851872.db2.gz AKQVSYPSPHPSKC-RPBOFIJWSA-N 1 1 486.599 3.242 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923427 721851874 /nfs/dbraw/zinc/85/18/74/721851874.db2.gz AKQVSYPSPHPSKC-RPBOFIJWSA-N 1 1 486.599 3.242 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C(=O)N5CCOCC5)cc4Cl)CC3)C2)cc1 ZINC001164939961 721930986 /nfs/dbraw/zinc/93/09/86/721930986.db2.gz PFJBKFDQEHQESQ-UHFFFAOYSA-N 1 1 485.028 3.387 20 0 JGADMO Fc1ccccc1N1CCN(c2cc(N3CC[NH+](CCOc4ccccc4)CC3)ncn2)CC1 ZINC001165044035 721960276 /nfs/dbraw/zinc/96/02/76/721960276.db2.gz CVRVOCPREIJTIP-UHFFFAOYSA-N 1 1 462.573 3.143 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]4CN(S(C)(=O)=O)C[C@@H]43)c2c1C ZINC001164950156 721985054 /nfs/dbraw/zinc/98/50/54/721985054.db2.gz IZMOPBHQVBINOZ-MSOLQXFVSA-N 1 1 463.673 3.154 20 0 JGADMO CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164946893 721985435 /nfs/dbraw/zinc/98/54/35/721985435.db2.gz BCINKUOMHPPNKH-WMZOPIPTSA-N 1 1 475.684 3.026 20 0 JGADMO O=S(=O)(C1CC1)N(C[C@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164952935 721991390 /nfs/dbraw/zinc/99/13/90/721991390.db2.gz RLAXWGKAAQZGEW-KCWPFWIISA-N 1 1 496.677 3.240 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955455 722022512 /nfs/dbraw/zinc/02/25/12/722022512.db2.gz HNDORNHFUWKYRC-UHFFFAOYSA-N 1 1 457.644 3.436 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1C(=O)OCC ZINC001164962068 722025051 /nfs/dbraw/zinc/02/50/51/722025051.db2.gz PBDIYHQFELXRPO-UHFFFAOYSA-N 1 1 452.555 3.323 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cccn3C)[C@H]3COC[C@@H]32)n1 ZINC001164958822 722037388 /nfs/dbraw/zinc/03/73/88/722037388.db2.gz DMEBVOCNMMYDJN-HBFSDRIKSA-N 1 1 482.654 3.122 20 0 JGADMO c1ccc(N2CCN(c3ccc(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)nn3)CC2)cc1 ZINC001164960721 722059951 /nfs/dbraw/zinc/05/99/51/722059951.db2.gz JETVVXGSTCUARJ-UHFFFAOYSA-N 1 1 499.663 3.317 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C(=O)N(c5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164982447 722095447 /nfs/dbraw/zinc/09/54/47/722095447.db2.gz RGKBMCYFNPMQLU-HKUYNNGSSA-N 1 1 465.627 3.127 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5CN(c6cnn(C)c6)C(=O)[C@@H]5C3)n2)CCC4)CC1 ZINC001164983515 722095509 /nfs/dbraw/zinc/09/55/09/722095509.db2.gz TVKKMUDTGUAKQN-FXAWDEMLSA-N 1 1 491.665 3.245 20 0 JGADMO Cn1cc(N2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2=O)cn1 ZINC001164978716 722095656 /nfs/dbraw/zinc/09/56/56/722095656.db2.gz JDWAXCBPDDUSGK-XLIONFOSSA-N 1 1 491.665 3.389 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164983494 722099668 /nfs/dbraw/zinc/09/96/68/722099668.db2.gz QMDXMSCYGMIQJT-OALUTQOASA-N 1 1 467.595 3.299 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1)N1CCCCC1 ZINC001164980776 722105638 /nfs/dbraw/zinc/10/56/38/722105638.db2.gz KJRMVHCKWYVBPW-IFMALSPDSA-N 1 1 470.017 3.483 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164972606 722109292 /nfs/dbraw/zinc/10/92/92/722109292.db2.gz GDBHROVLSOBUPF-QFBILLFUSA-N 1 1 466.916 3.189 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164974915 722110338 /nfs/dbraw/zinc/11/03/38/722110338.db2.gz IVLYOWXKKPPIKS-VGSWGCGISA-N 1 1 469.973 3.423 20 0 JGADMO c1ccc(CN2CCc3c(ncnc3N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970870 722112060 /nfs/dbraw/zinc/11/20/60/722112060.db2.gz AFMHEMQHVIOLKR-RPLLCQBOSA-N 1 1 470.621 3.157 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164971019 722113574 /nfs/dbraw/zinc/11/35/74/722113574.db2.gz BBTXJQSFLSRJRE-VQIMIIECSA-N 1 1 466.916 3.189 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974379 722133442 /nfs/dbraw/zinc/13/34/42/722133442.db2.gz DKQLYIHFHJBONO-REWPJTCUSA-N 1 1 497.640 3.480 20 0 JGADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984215 722135668 /nfs/dbraw/zinc/13/56/68/722135668.db2.gz WMFYOQBAWSHPRY-APWZRJJASA-N 1 1 460.916 3.345 20 0 JGADMO O=C(c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)N1CCc2ccccc21 ZINC001164978079 722140082 /nfs/dbraw/zinc/14/00/82/722140082.db2.gz JOVVSQOXFCFODX-OZXSUGGESA-N 1 1 469.589 3.407 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@H]3C2)c1 ZINC001164983822 722147170 /nfs/dbraw/zinc/14/71/70/722147170.db2.gz VJZWYBBLMAVRBY-NVQXNPDNSA-N 1 1 473.577 3.427 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164983819 722147250 /nfs/dbraw/zinc/14/72/50/722147250.db2.gz VJZWYBBLMAVRBY-ATIYNZHBSA-N 1 1 473.577 3.427 20 0 JGADMO COc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c(OC)c1OC ZINC001164977974 722151158 /nfs/dbraw/zinc/15/11/58/722151158.db2.gz JAHYPWFHBUCGSE-GBXCKJPGSA-N 1 1 491.592 3.292 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974690 722156248 /nfs/dbraw/zinc/15/62/48/722156248.db2.gz OWXSLYFIWDPABK-HKUYNNGSSA-N 1 1 481.931 3.494 20 0 JGADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(N4CCCC4)nc(N4CCCC4)n2)C3)c1 ZINC001164997214 722207600 /nfs/dbraw/zinc/20/76/00/722207600.db2.gz XDWQTXHJKPPOTM-VWLOTQADSA-N 1 1 451.594 3.456 20 0 JGADMO CSc1cnc(Cl)c(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001165001067 722236634 /nfs/dbraw/zinc/23/66/34/722236634.db2.gz ATRBLUCXDFWWLH-UHFFFAOYSA-N 1 1 454.978 3.149 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(C(=O)c5cccn5C)CCO[C@@H]4C3)c2c1C ZINC001165005642 722244158 /nfs/dbraw/zinc/24/41/58/722244158.db2.gz VHMHTAGHOWIJCM-PZJWPPBQSA-N 1 1 494.665 3.220 20 0 JGADMO O=C(Nc1cccnc1)c1noc2c1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001165000387 722247975 /nfs/dbraw/zinc/24/79/75/722247975.db2.gz HNBGHVVGFULBTD-UHFFFAOYSA-N 1 1 467.533 3.233 20 0 JGADMO O=C(Nc1cccnc1)c1noc2c1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001165000387 722247976 /nfs/dbraw/zinc/24/79/76/722247976.db2.gz HNBGHVVGFULBTD-UHFFFAOYSA-N 1 1 467.533 3.233 20 0 JGADMO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001165005419 722265645 /nfs/dbraw/zinc/26/56/45/722265645.db2.gz BYJBEMMVIOBHLU-XMMPIXPASA-N 1 1 457.981 3.397 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305793905 1069310939 /nfs/dbraw/zinc/31/09/39/1069310939.db2.gz GZCYZURHMGNTET-RDPSFJRHSA-N 1 1 498.672 3.051 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305795541 1069314630 /nfs/dbraw/zinc/31/46/30/1069314630.db2.gz QBOBXUUHRDTVOG-HJNYFJLDSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305796978 1069317788 /nfs/dbraw/zinc/31/77/88/1069317788.db2.gz ZPCNQRDPYCKOLH-HXUWFJFHSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCSC[C@H]2C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001305799867 1069321725 /nfs/dbraw/zinc/32/17/25/1069321725.db2.gz YDJZHWZXMQFPMV-LJQANCHMSA-N 1 1 486.686 3.019 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305801291 1069323585 /nfs/dbraw/zinc/32/35/85/1069323585.db2.gz RHGGVMGFCVVCJO-QGZVFWFLSA-N 1 1 462.639 3.409 20 0 JGADMO CC[C@@H](Cn1c(C(C)C)nnc1N(CCS(C)(=O)=O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC001305806000 1069333420 /nfs/dbraw/zinc/33/34/20/1069333420.db2.gz NCKLPVCAAXRBBB-NRFANRHFSA-N 1 1 459.660 3.252 20 0 JGADMO CC[C@@H](Cn1c(C(C)C)nnc1N(CCS(C)(=O)=O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC001305806000 1069333440 /nfs/dbraw/zinc/33/34/40/1069333440.db2.gz NCKLPVCAAXRBBB-NRFANRHFSA-N 1 1 459.660 3.252 20 0 JGADMO CC[C@@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001305807733 1069336693 /nfs/dbraw/zinc/33/66/93/1069336693.db2.gz SLXABOXRNIIROT-WCIQWLHISA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)Oc1ccccc1F ZINC001305809050 1069338664 /nfs/dbraw/zinc/33/86/64/1069338664.db2.gz XQSYTNCGTAKTHQ-FPOVZHCZSA-N 1 1 472.609 3.141 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CCOC)CC1)OC ZINC001305814733 1069346847 /nfs/dbraw/zinc/34/68/47/1069346847.db2.gz PRHAVGIBFQWPRV-SFHVURJKSA-N 1 1 466.424 3.209 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305814686 1069347021 /nfs/dbraw/zinc/34/70/21/1069347021.db2.gz PJLICDYOCWLUFB-KBMIEXCESA-N 1 1 488.633 3.451 20 0 JGADMO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305821296 1069357405 /nfs/dbraw/zinc/35/74/05/1069357405.db2.gz MZRASUHJCIKJFQ-FQEVSTJZSA-N 1 1 487.649 3.190 20 0 JGADMO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305821296 1069357420 /nfs/dbraw/zinc/35/74/20/1069357420.db2.gz MZRASUHJCIKJFQ-FQEVSTJZSA-N 1 1 487.649 3.190 20 0 JGADMO CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001305822733 1069359031 /nfs/dbraw/zinc/35/90/31/1069359031.db2.gz YXEFIELWBQDSGY-RTBURBONSA-N 1 1 457.623 3.261 20 0 JGADMO CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837301 1069380370 /nfs/dbraw/zinc/38/03/70/1069380370.db2.gz SEOWJVROPUMOKT-MHTWAQMVSA-N 1 1 494.681 3.021 20 0 JGADMO CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837301 1069380375 /nfs/dbraw/zinc/38/03/75/1069380375.db2.gz SEOWJVROPUMOKT-MHTWAQMVSA-N 1 1 494.681 3.021 20 0 JGADMO CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305837611 1069380865 /nfs/dbraw/zinc/38/08/65/1069380865.db2.gz YOPGKGIHXMZDQI-PMACEKPBSA-N 1 1 494.681 3.022 20 0 JGADMO CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305837611 1069380874 /nfs/dbraw/zinc/38/08/74/1069380874.db2.gz YOPGKGIHXMZDQI-PMACEKPBSA-N 1 1 494.681 3.022 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305837617 1069381072 /nfs/dbraw/zinc/38/10/72/1069381072.db2.gz YOPGKGIHXMZDQI-WOJBJXKFSA-N 1 1 494.681 3.022 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305837617 1069381087 /nfs/dbraw/zinc/38/10/87/1069381087.db2.gz YOPGKGIHXMZDQI-WOJBJXKFSA-N 1 1 494.681 3.022 20 0 JGADMO CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1)OC ZINC001305839669 1069385973 /nfs/dbraw/zinc/38/59/73/1069385973.db2.gz ZOMHEBGIPGTYNJ-VXKWHMMOSA-N 1 1 461.054 3.164 20 0 JGADMO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001305849942 1069402294 /nfs/dbraw/zinc/40/22/94/1069402294.db2.gz WFGOSHXLSLJAOH-JOCHJYFZSA-N 1 1 467.618 3.036 20 0 JGADMO CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001305851354 1069405280 /nfs/dbraw/zinc/40/52/80/1069405280.db2.gz GTTZPKJXJRAWJO-UHFFFAOYSA-N 1 1 484.689 3.500 20 0 JGADMO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)O1 ZINC001305858208 1069413352 /nfs/dbraw/zinc/41/33/52/1069413352.db2.gz CIWRNAYOBSFGSC-AZSVPQILSA-N 1 1 490.737 3.446 20 0 JGADMO CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)O1 ZINC001305863402 1069420219 /nfs/dbraw/zinc/42/02/19/1069420219.db2.gz ZSVQIMYUYSGCOS-NVQXNPDNSA-N 1 1 470.662 3.406 20 0 JGADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001305883004 1069436297 /nfs/dbraw/zinc/43/62/97/1069436297.db2.gz QAJGEELSDQZZCV-YDIMBITNSA-N 1 1 455.607 3.051 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305885683 1069441272 /nfs/dbraw/zinc/44/12/72/1069441272.db2.gz OQSYKJRQEMSOOI-NRFANRHFSA-N 1 1 481.439 3.152 20 0 JGADMO CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](CCOC)CC2)CCC1 ZINC001305900788 1069458203 /nfs/dbraw/zinc/45/82/03/1069458203.db2.gz XXODEQJFRMZKBZ-UHFFFAOYSA-N 1 1 451.413 3.384 20 0 JGADMO CCC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CCOC)CC2)CCCC1 ZINC001305911758 1069466052 /nfs/dbraw/zinc/46/60/52/1069466052.db2.gz MRLKOSOYVSTVFC-UHFFFAOYSA-N 1 1 460.648 3.008 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC001305916267 1069470944 /nfs/dbraw/zinc/47/09/44/1069470944.db2.gz DCDMUETTXXSVKA-NNLJWKLDSA-N 1 1 491.702 3.295 20 0 JGADMO CCc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305918839 1069474144 /nfs/dbraw/zinc/47/41/44/1069474144.db2.gz NZFLFSAOEPXGIY-SFTDATJTSA-N 1 1 461.676 3.355 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305918781 1069474153 /nfs/dbraw/zinc/47/41/53/1069474153.db2.gz MHFNXELOGMLLKA-FSSWDIPSSA-N 1 1 475.659 3.008 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001298218447 1064132657 /nfs/dbraw/zinc/13/26/57/1064132657.db2.gz LPZIHFVBRLHLET-QGZVFWFLSA-N 1 1 469.565 3.121 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CCc2ccccc2)n1C[C@@]1(C)CCCO1 ZINC001298238954 1064143425 /nfs/dbraw/zinc/14/34/25/1064143425.db2.gz CHKODUIHYPYURQ-AREMUKBSSA-N 1 1 455.647 3.427 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CCc1c(F)cccc1F ZINC001298239282 1064143560 /nfs/dbraw/zinc/14/35/60/1064143560.db2.gz GVGHRSBXDPBMDM-SFHVURJKSA-N 1 1 463.573 3.098 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C1CC1 ZINC001298240446 1064145463 /nfs/dbraw/zinc/14/54/63/1064145463.db2.gz QKVGJWUYKMHGNG-YPCDYVTLSA-N 1 1 477.694 3.152 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCS1 ZINC001298240287 1064145510 /nfs/dbraw/zinc/14/55/10/1064145510.db2.gz PWJHHVVNOAAZLV-XMMPIXPASA-N 1 1 458.676 3.344 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1Cc1ccc(F)cc1F ZINC001298240470 1064145536 /nfs/dbraw/zinc/14/55/36/1064145536.db2.gz RFNHIPBTXUUJIT-UHFFFAOYSA-N 1 1 470.568 3.385 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001298240524 1064146017 /nfs/dbraw/zinc/14/60/17/1064146017.db2.gz SJZNGGVICPRWHY-IFMALSPDSA-N 1 1 489.636 3.342 20 0 JGADMO CN(CC(F)(F)F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298240885 1064146533 /nfs/dbraw/zinc/14/65/33/1064146533.db2.gz RIPNBEBBMQAILV-LJQANCHMSA-N 1 1 487.530 3.489 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298243123 1064147535 /nfs/dbraw/zinc/14/75/35/1064147535.db2.gz KZBXIKJJGUVDIK-KRWDZBQOSA-N 1 1 463.512 3.040 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298260392 1064156115 /nfs/dbraw/zinc/15/61/15/1064156115.db2.gz ZOCACMIFKINGII-OAHLLOKOSA-N 1 1 484.464 3.353 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001298260392 1064156118 /nfs/dbraw/zinc/15/61/18/1064156118.db2.gz ZOCACMIFKINGII-OAHLLOKOSA-N 1 1 484.464 3.353 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298260391 1064156141 /nfs/dbraw/zinc/15/61/41/1064156141.db2.gz ZOCACMIFKINGII-HNNXBMFYSA-N 1 1 484.464 3.353 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001298260391 1064156147 /nfs/dbraw/zinc/15/61/47/1064156147.db2.gz ZOCACMIFKINGII-HNNXBMFYSA-N 1 1 484.464 3.353 20 0 JGADMO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001298261866 1064156762 /nfs/dbraw/zinc/15/67/62/1064156762.db2.gz DJPOPAOKPQOCFC-HRLGVUPISA-N 1 1 453.377 3.251 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298274647 1064165094 /nfs/dbraw/zinc/16/50/94/1064165094.db2.gz KBUMFOSZOXMVNN-FPOVZHCZSA-N 1 1 492.462 3.418 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298274646 1064165138 /nfs/dbraw/zinc/16/51/38/1064165138.db2.gz KBUMFOSZOXMVNN-CTNGQTDRSA-N 1 1 492.462 3.418 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCOC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298281974 1064168425 /nfs/dbraw/zinc/16/84/25/1064168425.db2.gz PXYKOYZMAVIFGE-DLBZAZTESA-N 1 1 482.423 3.011 20 0 JGADMO CN(Cc1ccc(F)c(Cl)c1)c1nnc(C(=O)N2CCCC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298302796 1064183136 /nfs/dbraw/zinc/18/31/36/1064183136.db2.gz HAVXINCXDJOHSS-IBGZPJMESA-N 1 1 493.027 3.180 20 0 JGADMO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001298317834 1064193505 /nfs/dbraw/zinc/19/35/05/1064193505.db2.gz BONYXWFTKUDPIR-LJQANCHMSA-N 1 1 458.971 3.018 20 0 JGADMO C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001298329340 1064204798 /nfs/dbraw/zinc/20/47/98/1064204798.db2.gz ZKQHQBFGPOHAJN-APWZRJJASA-N 1 1 458.384 3.213 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298330608 1064205742 /nfs/dbraw/zinc/20/57/42/1064205742.db2.gz DTIHLXDMSPZXFL-HXUWFJFHSA-N 1 1 461.054 3.488 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298330608 1064205750 /nfs/dbraw/zinc/20/57/50/1064205750.db2.gz DTIHLXDMSPZXFL-HXUWFJFHSA-N 1 1 461.054 3.488 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298330608 1064205759 /nfs/dbraw/zinc/20/57/59/1064205759.db2.gz DTIHLXDMSPZXFL-HXUWFJFHSA-N 1 1 461.054 3.488 20 0 JGADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](CO)Cc2ccccc21 ZINC001298335462 1064207917 /nfs/dbraw/zinc/20/79/17/1064207917.db2.gz YXHQAZJQTHVNRC-RBBKRZOGSA-N 1 1 453.583 3.210 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298337716 1064207977 /nfs/dbraw/zinc/20/79/77/1064207977.db2.gz NKBMQIJGECFDKO-JOCHJYFZSA-N 1 1 455.006 3.401 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1 ZINC001298340820 1064209102 /nfs/dbraw/zinc/20/91/02/1064209102.db2.gz JLOVVNWTYFBDGA-SFHVURJKSA-N 1 1 450.564 3.258 20 0 JGADMO Cn1cnnc1Cn1c(CC(C)(C)C)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001298349914 1064213660 /nfs/dbraw/zinc/21/36/60/1064213660.db2.gz GIJGHCZYVXNOOJ-UHFFFAOYSA-N 1 1 450.635 3.392 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)C1 ZINC001298350779 1064214312 /nfs/dbraw/zinc/21/43/12/1064214312.db2.gz LXVBJBPKJLWCGT-OALUTQOASA-N 1 1 485.576 3.233 20 0 JGADMO CN(Cc1ccccn1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298375454 1064223712 /nfs/dbraw/zinc/22/37/12/1064223712.db2.gz ZZOUVIQHNITHNW-QFIPXVFZSA-N 1 1 455.006 3.401 20 0 JGADMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC001298379075 1064226013 /nfs/dbraw/zinc/22/60/13/1064226013.db2.gz YYJAVCASKDTOIE-JOCHJYFZSA-N 1 1 459.612 3.316 20 0 JGADMO O=C(Cc1ccccc1)NCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298397063 1064232732 /nfs/dbraw/zinc/23/27/32/1064232732.db2.gz UNZPKCYDYOFLGP-AREMUKBSSA-N 1 1 456.590 3.434 20 0 JGADMO CN(Cc1cscn1)c1nnc(COc2ccc(Cl)cc2)n1CCC[NH+]1CCOCC1 ZINC001298439976 1064252859 /nfs/dbraw/zinc/25/28/59/1064252859.db2.gz USPYSWXBGIASJJ-UHFFFAOYSA-N 1 1 463.007 3.326 20 0 JGADMO CN(Cc1nccs1)c1nnc(COc2ccccc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298460846 1064261803 /nfs/dbraw/zinc/26/18/03/1064261803.db2.gz OMVIZBNUBKKULC-UHFFFAOYSA-N 1 1 460.579 3.200 20 0 JGADMO CN(CC1CC(F)C1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298481971 1064274137 /nfs/dbraw/zinc/27/41/37/1064274137.db2.gz JSDCMQFHULQPGM-VMWRSERWSA-N 1 1 483.430 3.077 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(CCCc2ccccc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298559137 1064323498 /nfs/dbraw/zinc/32/34/98/1064323498.db2.gz CNHCQMJJAUGVTJ-HSZRJFAPSA-N 1 1 455.647 3.427 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298559137 1064323508 /nfs/dbraw/zinc/32/35/08/1064323508.db2.gz CNHCQMJJAUGVTJ-HSZRJFAPSA-N 1 1 455.647 3.427 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(CCCc2ccccc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298561099 1064328959 /nfs/dbraw/zinc/32/89/59/1064328959.db2.gz SQQYAFZTLAFAOA-HSZRJFAPSA-N 1 1 455.647 3.427 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298565248 1064334597 /nfs/dbraw/zinc/33/45/97/1064334597.db2.gz BACZVKBMURPSGN-KRWDZBQOSA-N 1 1 478.435 3.291 20 0 JGADMO CN(CC1CCOCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298577023 1064349902 /nfs/dbraw/zinc/34/99/02/1064349902.db2.gz FDKGKUZMUTYSCU-JOCHJYFZSA-N 1 1 489.686 3.332 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001298595207 1064371208 /nfs/dbraw/zinc/37/12/08/1064371208.db2.gz DUVYULMTBZWPLC-HZPDHXFCSA-N 1 1 491.605 3.467 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cccnc2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298604992 1064378909 /nfs/dbraw/zinc/37/89/09/1064378909.db2.gz ULUXEYHKFWRHAM-UHFFFAOYSA-N 1 1 455.557 3.249 20 0 JGADMO CN(CCc1ccc(Br)cc1)c1nnc(C2CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298612808 1064384242 /nfs/dbraw/zinc/38/42/42/1064384242.db2.gz QZABQHAINSAFQD-HXUWFJFHSA-N 1 1 462.436 3.444 20 0 JGADMO C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CC[N@H+](C2CC2)C1 ZINC001298642087 1064415349 /nfs/dbraw/zinc/41/53/49/1064415349.db2.gz WAYHDHQLTFNMOY-AWEZNQCLSA-N 1 1 450.324 3.033 20 0 JGADMO CN(c1nnc(-c2ccccc2F)n1CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001298667005 1064446418 /nfs/dbraw/zinc/44/64/18/1064446418.db2.gz TWYUIWYQKIVVLI-LJQANCHMSA-N 1 1 463.623 3.362 20 0 JGADMO C[N@@H+](CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC001298670904 1064454299 /nfs/dbraw/zinc/45/42/99/1064454299.db2.gz FOFFDJIPRXKJFQ-QFIPXVFZSA-N 1 1 475.659 3.055 20 0 JGADMO C[N@@H+](CCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Cc1ccccc1 ZINC001298672530 1064457139 /nfs/dbraw/zinc/45/71/39/1064457139.db2.gz UUROIISVTILROE-GOTSBHOMSA-N 1 1 482.673 3.435 20 0 JGADMO C[N@@H+](CCCn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)CC1)C1CCCCC1 ZINC001298674248 1064460119 /nfs/dbraw/zinc/46/01/19/1064460119.db2.gz LSDYHGJJTWPWPR-UHFFFAOYSA-N 1 1 460.573 3.128 20 0 JGADMO C[N@@H+](CCCn1c(CC2CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298675829 1064464346 /nfs/dbraw/zinc/46/43/46/1064464346.db2.gz NQCSOBFNYWNFOL-NRFANRHFSA-N 1 1 451.681 3.289 20 0 JGADMO C[N@@H+](CCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298678775 1064468159 /nfs/dbraw/zinc/46/81/59/1064468159.db2.gz DPSRINHQVMDYIH-UHFFFAOYSA-N 1 1 475.641 3.455 20 0 JGADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001298684136 1064479333 /nfs/dbraw/zinc/47/93/33/1064479333.db2.gz SFQGITSBPQNOAG-RUZDIDTESA-N 1 1 487.649 3.127 20 0 JGADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(C2CCCC2)nnc1N1CCOCC1 ZINC001298684653 1064481033 /nfs/dbraw/zinc/48/10/33/1064481033.db2.gz VOUCGXAKSRJBGJ-UHFFFAOYSA-N 1 1 450.628 3.009 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC001298696892 1064497095 /nfs/dbraw/zinc/49/70/95/1064497095.db2.gz CQVMSSUQLONQMO-UHFFFAOYSA-N 1 1 495.093 3.335 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298697387 1064498879 /nfs/dbraw/zinc/49/88/79/1064498879.db2.gz FJVLDPJSRZZIIZ-OAQYLSRUSA-N 1 1 481.576 3.202 20 0 JGADMO C[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)C1CCCCC1 ZINC001298698380 1064501157 /nfs/dbraw/zinc/50/11/57/1064501157.db2.gz OTGUMKDDMBDIIZ-HXUWFJFHSA-N 1 1 469.634 3.441 20 0 JGADMO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298704316 1064506993 /nfs/dbraw/zinc/50/69/93/1064506993.db2.gz NIDGZHSCADWFKN-UHFFFAOYSA-N 1 1 469.609 3.091 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC001298704566 1064507812 /nfs/dbraw/zinc/50/78/12/1064507812.db2.gz JHWLFNJATHGQBR-UHFFFAOYSA-N 1 1 495.093 3.335 20 0 JGADMO CN(CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298704947 1064508987 /nfs/dbraw/zinc/50/89/87/1064508987.db2.gz OJPLOMMGVPFQPG-IBGZPJMESA-N 1 1 488.608 3.110 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CCCCC1 ZINC001298704809 1064509028 /nfs/dbraw/zinc/50/90/28/1064509028.db2.gz YGANYVRNUOLSKU-INIZCTEOSA-N 1 1 467.540 3.043 20 0 JGADMO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001298705599 1064510109 /nfs/dbraw/zinc/51/01/09/1064510109.db2.gz HSIFVFDNKOGTQE-HXUWFJFHSA-N 1 1 484.649 3.445 20 0 JGADMO C[N@@H+](CCn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001298711714 1064517605 /nfs/dbraw/zinc/51/76/05/1064517605.db2.gz DIPYWPXUMOEHMT-QFIPXVFZSA-N 1 1 484.645 3.093 20 0 JGADMO CN(CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298712985 1064521225 /nfs/dbraw/zinc/52/12/25/1064521225.db2.gz DKOJDALYQYIFGU-IBGZPJMESA-N 1 1 464.655 3.350 20 0 JGADMO CN(C[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+](C)Cc2ccccc2)C1)S(C)(=O)=O ZINC001298714007 1064523087 /nfs/dbraw/zinc/52/30/87/1064523087.db2.gz JRJYUWCWMMOJOH-QFIPXVFZSA-N 1 1 490.718 3.107 20 0 JGADMO CN(CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1)C(=O)OC(C)(C)C ZINC001298714332 1064523875 /nfs/dbraw/zinc/52/38/75/1064523875.db2.gz MQKQNIYWCYWJRG-LJQANCHMSA-N 1 1 490.674 3.423 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298714862 1064524233 /nfs/dbraw/zinc/52/42/33/1064524233.db2.gz RUIMOBDVTYNJPH-NRFANRHFSA-N 1 1 486.636 3.138 20 0 JGADMO CN(Cc1ccsc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001298715875 1064525263 /nfs/dbraw/zinc/52/52/63/1064525263.db2.gz XPUZERIHFFSOFC-HXUWFJFHSA-N 1 1 459.641 3.010 20 0 JGADMO CN(Cc1ccsc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001298715875 1064525278 /nfs/dbraw/zinc/52/52/78/1064525278.db2.gz XPUZERIHFFSOFC-HXUWFJFHSA-N 1 1 459.641 3.010 20 0 JGADMO CC(C)[N@@H+](C)CC(=O)Nc1cc(I)cc(I)c1 ZINC001298717272 1064527708 /nfs/dbraw/zinc/52/77/08/1064527708.db2.gz RPTQRCOSVMHTEQ-UHFFFAOYSA-N 1 1 458.081 3.175 20 0 JGADMO C[N@@H+](CCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298720141 1064531270 /nfs/dbraw/zinc/53/12/70/1064531270.db2.gz VXJYFJRVRKYUPR-UHFFFAOYSA-N 1 1 495.716 3.232 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOC2=O)cc1 ZINC001298727525 1064537311 /nfs/dbraw/zinc/53/73/11/1064537311.db2.gz FUPMEERCDPCPSZ-UHFFFAOYSA-N 1 1 470.618 3.128 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOC2=O)cc1 ZINC001298727525 1064537326 /nfs/dbraw/zinc/53/73/26/1064537326.db2.gz FUPMEERCDPCPSZ-UHFFFAOYSA-N 1 1 470.618 3.128 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccn(C)n1 ZINC001298727807 1064538287 /nfs/dbraw/zinc/53/82/87/1064538287.db2.gz JDYAFXIXKBOXTH-UHFFFAOYSA-N 1 1 489.571 3.070 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccn(C)n1 ZINC001298727807 1064538303 /nfs/dbraw/zinc/53/83/03/1064538303.db2.gz JDYAFXIXKBOXTH-UHFFFAOYSA-N 1 1 489.571 3.070 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001298728156 1064538881 /nfs/dbraw/zinc/53/88/81/1064538881.db2.gz MYMXSLAZWGNKCA-HSZRJFAPSA-N 1 1 492.546 3.270 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001298728156 1064538896 /nfs/dbraw/zinc/53/88/96/1064538896.db2.gz MYMXSLAZWGNKCA-HSZRJFAPSA-N 1 1 492.546 3.270 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1CCCOc1ccccc1 ZINC001298728193 1064539281 /nfs/dbraw/zinc/53/92/81/1064539281.db2.gz NKQJBPRKUFHKNO-UHFFFAOYSA-N 1 1 452.603 3.300 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1CCCOc1ccccc1 ZINC001298728193 1064539299 /nfs/dbraw/zinc/53/92/99/1064539299.db2.gz NKQJBPRKUFHKNO-UHFFFAOYSA-N 1 1 452.603 3.300 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cc(Br)cn2C)n1Cc1nccs1 ZINC001298728480 1064540633 /nfs/dbraw/zinc/54/06/33/1064540633.db2.gz UNNBASCJGUWDBI-UHFFFAOYSA-N 1 1 494.463 3.098 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cc(Br)cn2C)n1Cc1nccs1 ZINC001298728480 1064540644 /nfs/dbraw/zinc/54/06/44/1064540644.db2.gz UNNBASCJGUWDBI-UHFFFAOYSA-N 1 1 494.463 3.098 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CCc1ccn(C)n1 ZINC001298728541 1064541874 /nfs/dbraw/zinc/54/18/74/1064541874.db2.gz WIJVRSKQUKVMRW-UHFFFAOYSA-N 1 1 476.000 3.261 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CCc1ccn(C)n1 ZINC001298728541 1064541888 /nfs/dbraw/zinc/54/18/88/1064541888.db2.gz WIJVRSKQUKVMRW-UHFFFAOYSA-N 1 1 476.000 3.261 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1Cc1cc(COC(C)(C)C)on1 ZINC001298728614 1064542208 /nfs/dbraw/zinc/54/22/08/1064542208.db2.gz YIKNHXIBWQWUQO-UHFFFAOYSA-N 1 1 483.617 3.239 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1Cc1cc(COC(C)(C)C)on1 ZINC001298728614 1064542220 /nfs/dbraw/zinc/54/22/20/1064542220.db2.gz YIKNHXIBWQWUQO-UHFFFAOYSA-N 1 1 483.617 3.239 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001298729692 1064544211 /nfs/dbraw/zinc/54/42/11/1064544211.db2.gz LZSGIFJROHDYTP-UHFFFAOYSA-N 1 1 489.686 3.076 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001298729692 1064544226 /nfs/dbraw/zinc/54/42/26/1064544226.db2.gz LZSGIFJROHDYTP-UHFFFAOYSA-N 1 1 489.686 3.076 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C ZINC001298729707 1064544380 /nfs/dbraw/zinc/54/43/80/1064544380.db2.gz MORYGZIICHFUTL-UHFFFAOYSA-N 1 1 491.080 3.232 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C ZINC001298729707 1064544389 /nfs/dbraw/zinc/54/43/89/1064544389.db2.gz MORYGZIICHFUTL-UHFFFAOYSA-N 1 1 491.080 3.232 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)s1 ZINC001298730110 1064544932 /nfs/dbraw/zinc/54/49/32/1064544932.db2.gz ROFKDRPGPCDLDE-INIZCTEOSA-N 1 1 454.040 3.287 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)s1 ZINC001298730110 1064544949 /nfs/dbraw/zinc/54/49/49/1064544949.db2.gz ROFKDRPGPCDLDE-INIZCTEOSA-N 1 1 454.040 3.287 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCNc1ncc(Cl)cc1Cl ZINC001298732574 1064547284 /nfs/dbraw/zinc/54/72/84/1064547284.db2.gz AMDYDMDFAFZLRK-GOSISDBHSA-N 1 1 498.459 3.491 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCNc1ncc(Cl)cc1Cl ZINC001298732574 1064547300 /nfs/dbraw/zinc/54/73/00/1064547300.db2.gz AMDYDMDFAFZLRK-GOSISDBHSA-N 1 1 498.459 3.491 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCOC1 ZINC001298733383 1064548180 /nfs/dbraw/zinc/54/81/80/1064548180.db2.gz OUHDCWPVVIAXSB-SFHVURJKSA-N 1 1 464.010 3.094 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCOC1 ZINC001298733383 1064548192 /nfs/dbraw/zinc/54/81/92/1064548192.db2.gz OUHDCWPVVIAXSB-SFHVURJKSA-N 1 1 464.010 3.094 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298750258 1064561167 /nfs/dbraw/zinc/56/11/67/1064561167.db2.gz RSVHUCWZIGACEU-VXKWHMMOSA-N 1 1 468.646 3.045 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2cccn2C)n1CCOC(C)(C)C ZINC001298781666 1064585381 /nfs/dbraw/zinc/58/53/81/1064585381.db2.gz FKQOKRTVPIZVLG-SIKLNZKXSA-N 1 1 468.650 3.352 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(Cc2ccccn2)n1CCOC(C)(C)C ZINC001298782571 1064586867 /nfs/dbraw/zinc/58/68/67/1064586867.db2.gz XZIYLYRAALXEHS-GBXCKJPGSA-N 1 1 480.661 3.332 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2cccn2C)n1CC(F)(F)F ZINC001298782594 1064587605 /nfs/dbraw/zinc/58/76/05/1064587605.db2.gz ZCHVPMXLSQWMMW-MAUKXSAKSA-N 1 1 450.513 3.099 20 0 JGADMO CN(OC1CCCC1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298790044 1064591290 /nfs/dbraw/zinc/59/12/90/1064591290.db2.gz JQAFSUVUBNOTEG-KRWDZBQOSA-N 1 1 481.439 3.203 20 0 JGADMO CN(OC1CCCC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001298793662 1064592984 /nfs/dbraw/zinc/59/29/84/1064592984.db2.gz WDWYHOVYBBKVFG-HXUWFJFHSA-N 1 1 476.622 3.159 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@]1(C)COCCO1 ZINC001298801140 1064598104 /nfs/dbraw/zinc/59/81/04/1064598104.db2.gz GTQKEDGVNYNKAP-JOCHJYFZSA-N 1 1 495.466 3.162 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(-c4ccccc4F)n3CCNC(=O)OC(C)(C)C)CC2)cn1 ZINC001298828344 1064632137 /nfs/dbraw/zinc/63/21/37/1064632137.db2.gz OSALSPYWUJATDH-UHFFFAOYSA-N 1 1 498.607 3.055 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298853143 1064655733 /nfs/dbraw/zinc/65/57/33/1064655733.db2.gz XIEWPTZKEOBUMQ-HNNXBMFYSA-N 1 1 494.484 3.452 20 0 JGADMO Cn1cccc1-c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001298861751 1064665685 /nfs/dbraw/zinc/66/56/85/1064665685.db2.gz NFCLUEKDZHZFKH-XIFFEERXSA-N 1 1 468.671 3.196 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298880302 1064685906 /nfs/dbraw/zinc/68/59/06/1064685906.db2.gz UVADJKKFRYBWJW-JOCHJYFZSA-N 1 1 477.396 3.229 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298880933 1064686787 /nfs/dbraw/zinc/68/67/87/1064686787.db2.gz YEAFKVDPAMCNBD-CYFREDJKSA-N 1 1 491.036 3.159 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298881226 1064687560 /nfs/dbraw/zinc/68/75/60/1064687560.db2.gz DIODNUFKUKXAAS-VGSWGCGISA-N 1 1 466.051 3.153 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001298881771 1064687595 /nfs/dbraw/zinc/68/75/95/1064687595.db2.gz KHQQFADAKNUJJO-ATIYNZHBSA-N 1 1 455.647 3.304 20 0 JGADMO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298881483 1064687605 /nfs/dbraw/zinc/68/76/05/1064687605.db2.gz GIWWBRJOHIAKBC-FQEVSTJZSA-N 1 1 484.523 3.186 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCCC(C)(C)C2)C1 ZINC001298881947 1064688520 /nfs/dbraw/zinc/68/85/20/1064688520.db2.gz NENCUYVVTORZSX-RUZDIDTESA-N 1 1 476.666 3.086 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298882029 1064688646 /nfs/dbraw/zinc/68/86/46/1064688646.db2.gz OMYZJVCMYQYIER-HHHXNRCGSA-N 1 1 485.673 3.474 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCCC(C)(C)C2)C1 ZINC001298881948 1064688718 /nfs/dbraw/zinc/68/87/18/1064688718.db2.gz NENCUYVVTORZSX-VWLOTQADSA-N 1 1 476.666 3.086 20 0 JGADMO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298882147 1064688746 /nfs/dbraw/zinc/68/87/46/1064688746.db2.gz QIWQJHOHWNONPM-GHTZIAJQSA-N 1 1 453.509 3.242 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCCCO)C1CC1 ZINC001298884852 1064690981 /nfs/dbraw/zinc/69/09/81/1064690981.db2.gz FMDJMPNFCJKBLO-QFIPXVFZSA-N 1 1 489.686 3.210 20 0 JGADMO C[C@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC[N@H+]1Cc1ccccc1 ZINC001298884944 1064690996 /nfs/dbraw/zinc/69/09/96/1064690996.db2.gz CLKJDYHMRJVMNE-YADARESESA-N 1 1 451.592 3.287 20 0 JGADMO C[C@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC[N@H+]1Cc1ccccc1 ZINC001298884940 1064691042 /nfs/dbraw/zinc/69/10/42/1064691042.db2.gz CLKJDYHMRJVMNE-CYFREDJKSA-N 1 1 451.592 3.287 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CCO)CCc1ccccc1 ZINC001298886152 1064692913 /nfs/dbraw/zinc/69/29/13/1064692913.db2.gz DJUDBUYPQBDFKZ-DEOSSOPVSA-N 1 1 462.642 3.426 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001298886726 1064694944 /nfs/dbraw/zinc/69/49/44/1064694944.db2.gz RQCABTLSAMNVBD-WCLQXYBISA-N 1 1 459.557 3.042 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001298886403 1064694972 /nfs/dbraw/zinc/69/49/72/1064694972.db2.gz GGFXCKWTCCEELA-VXQVSLNISA-N 1 1 460.667 3.019 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001298886723 1064695060 /nfs/dbraw/zinc/69/50/60/1064695060.db2.gz RQCABTLSAMNVBD-BIZBXSGISA-N 1 1 459.557 3.042 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C ZINC001298890018 1064699320 /nfs/dbraw/zinc/69/93/20/1064699320.db2.gz YSMBHJSTDJHSAY-CVEARBPZSA-N 1 1 458.573 3.201 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001298889731 1064699474 /nfs/dbraw/zinc/69/94/74/1064699474.db2.gz VNAWDVSPWFFMDX-GOSISDBHSA-N 1 1 494.562 3.107 20 0 JGADMO C[N@H+]1CCN(CCn2c(-c3ccc(Br)cc3)nnc2N2CCSCC2)CC1(C)C ZINC001298896342 1064702635 /nfs/dbraw/zinc/70/26/35/1064702635.db2.gz HMHCYKCXSGMSCV-UHFFFAOYSA-N 1 1 479.492 3.287 20 0 JGADMO CN1CC[N@H+](CCn2c(-c3ccc(Br)cc3)nnc2N2CCSCC2)CC1(C)C ZINC001298896342 1064702647 /nfs/dbraw/zinc/70/26/47/1064702647.db2.gz HMHCYKCXSGMSCV-UHFFFAOYSA-N 1 1 479.492 3.287 20 0 JGADMO CN1CC[N@@H+](CCn2c(-c3ccc(Br)cc3)nnc2N2CCSCC2)CC1(C)C ZINC001298896342 1064702660 /nfs/dbraw/zinc/70/26/60/1064702660.db2.gz HMHCYKCXSGMSCV-UHFFFAOYSA-N 1 1 479.492 3.287 20 0 JGADMO C[N@H+]1CCN(CCn2c([C@H]3CCCO3)nnc2N(CCC(F)(F)F)CC2CC2)CC1(C)C ZINC001298903412 1064708224 /nfs/dbraw/zinc/70/82/24/1064708224.db2.gz POBYBGZHGWVWRM-GOSISDBHSA-N 1 1 458.573 3.324 20 0 JGADMO C[N@H+]1CCN(CCn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903411 1064708271 /nfs/dbraw/zinc/70/82/71/1064708271.db2.gz PNKTUNBJUFRDIV-OAQYLSRUSA-N 1 1 476.616 3.458 20 0 JGADMO CN1CC[N@H+](CCn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903411 1064708285 /nfs/dbraw/zinc/70/82/85/1064708285.db2.gz PNKTUNBJUFRDIV-OAQYLSRUSA-N 1 1 476.616 3.458 20 0 JGADMO CN1CC[N@@H+](CCn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903411 1064708297 /nfs/dbraw/zinc/70/82/97/1064708297.db2.gz PNKTUNBJUFRDIV-OAQYLSRUSA-N 1 1 476.616 3.458 20 0 JGADMO CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)CC2)C1 ZINC001298910885 1064712702 /nfs/dbraw/zinc/71/27/02/1064712702.db2.gz ZPNQMAGXXIITCE-GOTSBHOMSA-N 1 1 456.631 3.195 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001298918013 1064719990 /nfs/dbraw/zinc/71/99/90/1064719990.db2.gz ZDHPQWQJVQLTJR-ROUUACIJSA-N 1 1 458.582 3.004 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001298922718 1064723006 /nfs/dbraw/zinc/72/30/06/1064723006.db2.gz XOWKQUAJBBTGCN-DNVCBOLYSA-N 1 1 495.455 3.181 20 0 JGADMO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)=NO2 ZINC001298926317 1064725620 /nfs/dbraw/zinc/72/56/20/1064725620.db2.gz QQSINTMMPZFYJA-HXUWFJFHSA-N 1 1 456.587 3.171 20 0 JGADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001298926627 1064725885 /nfs/dbraw/zinc/72/58/85/1064725885.db2.gz SRFMJTHWRHHWJB-IBGZPJMESA-N 1 1 459.587 3.299 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001298926800 1064726553 /nfs/dbraw/zinc/72/65/53/1064726553.db2.gz QSDAFWPAQBXSCL-UHFFFAOYSA-N 1 1 478.645 3.214 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001298942607 1064734835 /nfs/dbraw/zinc/73/48/35/1064734835.db2.gz DYRMVUYHVQINKO-UHFFFAOYSA-N 1 1 482.673 3.299 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001298962644 1064749975 /nfs/dbraw/zinc/74/99/75/1064749975.db2.gz AWCCQDUMQMGGED-GJZGRUSLSA-N 1 1 483.480 3.319 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001298967499 1064758014 /nfs/dbraw/zinc/75/80/14/1064758014.db2.gz ZSQAZVKNWPESEE-HOTGVXAUSA-N 1 1 475.435 3.010 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001298969611 1064761017 /nfs/dbraw/zinc/76/10/17/1064761017.db2.gz CIHKWKVCXGOKTA-BDTNDASRSA-N 1 1 492.672 3.317 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001298986937 1064770906 /nfs/dbraw/zinc/77/09/06/1064770906.db2.gz YGYLWNMQKCBIFV-RCLSDMTESA-N 1 1 474.675 3.135 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001298987397 1064771357 /nfs/dbraw/zinc/77/13/57/1064771357.db2.gz ACPMVEMXNPWEKK-RFWXGWTQSA-N 1 1 481.670 3.227 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001298987395 1064771519 /nfs/dbraw/zinc/77/15/19/1064771519.db2.gz ACPMVEMXNPWEKK-QMHWCDLVSA-N 1 1 481.670 3.227 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001298992336 1064775626 /nfs/dbraw/zinc/77/56/26/1064775626.db2.gz LRYQCLMGXRLOAE-RTWAWAEBSA-N 1 1 482.673 3.098 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001298992336 1064775639 /nfs/dbraw/zinc/77/56/39/1064775639.db2.gz LRYQCLMGXRLOAE-RTWAWAEBSA-N 1 1 482.673 3.098 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001299002761 1064782356 /nfs/dbraw/zinc/78/23/56/1064782356.db2.gz NLDLJZUVSPNYCR-UXHICEINSA-N 1 1 458.676 3.429 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299005526 1064787989 /nfs/dbraw/zinc/78/79/89/1064787989.db2.gz JLJXATAVQNUUCV-UZUQRXQVSA-N 1 1 489.462 3.402 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+](C)C(C)C)C1 ZINC001299007295 1064789911 /nfs/dbraw/zinc/78/99/11/1064789911.db2.gz RKGPYDAIDPDRFF-NRFANRHFSA-N 1 1 481.414 3.149 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001299015435 1064798435 /nfs/dbraw/zinc/79/84/35/1064798435.db2.gz HWQLESAHUXMDSX-VWLOTQADSA-N 1 1 454.619 3.181 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299029019 1064814564 /nfs/dbraw/zinc/81/45/64/1064814564.db2.gz QTWZKYSKYYTCDI-IDISGSTGSA-N 1 1 482.673 3.373 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299029447 1064815183 /nfs/dbraw/zinc/81/51/83/1064815183.db2.gz PPUJOEWPJBETLG-UYXZNNOOSA-N 1 1 488.627 3.478 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001299029953 1064815961 /nfs/dbraw/zinc/81/59/61/1064815961.db2.gz RLNIISDEBFMPOB-MHZLTWQESA-N 1 1 482.673 3.495 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299034049 1064822972 /nfs/dbraw/zinc/82/29/72/1064822972.db2.gz QTSKVCKXVOEDHA-VWLOTQADSA-N 1 1 456.635 3.167 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299034615 1064824474 /nfs/dbraw/zinc/82/44/74/1064824474.db2.gz XHPREFMISADEHD-VWLOTQADSA-N 1 1 454.619 3.002 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299034710 1064824488 /nfs/dbraw/zinc/82/44/88/1064824488.db2.gz YWYXQAZQFGQUBG-IBVKSMDESA-N 1 1 468.646 3.168 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001299040444 1064830139 /nfs/dbraw/zinc/83/01/39/1064830139.db2.gz NTYYHXBVOTWRKD-FQEVSTJZSA-N 1 1 480.613 3.343 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001299042609 1064835217 /nfs/dbraw/zinc/83/52/17/1064835217.db2.gz UEYGZOOVRQYZJS-OAQYLSRUSA-N 1 1 454.619 3.043 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001299044484 1064837085 /nfs/dbraw/zinc/83/70/85/1064837085.db2.gz IQIDLKNORPMRJQ-SHBJFUFKSA-N 1 1 498.672 3.119 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001299044479 1064837135 /nfs/dbraw/zinc/83/71/35/1064837135.db2.gz IQIDLKNORPMRJQ-CHOVIJNXSA-N 1 1 498.672 3.119 20 0 JGADMO CNC(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001299057322 1064848160 /nfs/dbraw/zinc/84/81/60/1064848160.db2.gz IJGXTABXLBNXGL-UHFFFAOYSA-N 1 1 475.641 3.228 20 0 JGADMO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+](C)C3CCCCC3)C2)n1 ZINC001299060298 1064852611 /nfs/dbraw/zinc/85/26/11/1064852611.db2.gz AVCHYYIKVNOSFO-NRFANRHFSA-N 1 1 470.666 3.139 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299072051 1064872557 /nfs/dbraw/zinc/87/25/57/1064872557.db2.gz QMKABAOURSBDBH-QHAWAJNXSA-N 1 1 498.672 3.293 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)CCCOC)C1 ZINC001299073744 1064876557 /nfs/dbraw/zinc/87/65/57/1064876557.db2.gz NYOOTRLSKQCCJD-NRFANRHFSA-N 1 1 470.662 3.173 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299084435 1064888176 /nfs/dbraw/zinc/88/81/76/1064888176.db2.gz AXYZEFJUXNDTKT-QUCCMNQESA-N 1 1 473.691 3.108 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299084394 1064888230 /nfs/dbraw/zinc/88/82/30/1064888230.db2.gz GRCQVOYGEFFKSC-GBESFXJTSA-N 1 1 474.600 3.230 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001299118772 1064926523 /nfs/dbraw/zinc/92/65/23/1064926523.db2.gz OZBFGYAHLZKIRB-LJQANCHMSA-N 1 1 456.610 3.235 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299120084 1064929624 /nfs/dbraw/zinc/92/96/24/1064929624.db2.gz QGICNTMKPCISFI-UHFFFAOYSA-N 1 1 451.619 3.043 20 0 JGADMO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001299125556 1064933320 /nfs/dbraw/zinc/93/33/20/1064933320.db2.gz AONIJJMLAQLMFT-YJBOKZPZSA-N 1 1 456.450 3.149 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001299127718 1064934535 /nfs/dbraw/zinc/93/45/35/1064934535.db2.gz HUVRGGPWXFQSAW-PMVMPFDFSA-N 1 1 498.672 3.107 20 0 JGADMO NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001299133140 1064940165 /nfs/dbraw/zinc/94/01/65/1064940165.db2.gz SDHUTEDXWAJFAS-JTHBVZDNSA-N 1 1 471.529 3.010 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299134117 1064942167 /nfs/dbraw/zinc/94/21/67/1064942167.db2.gz OEUYYHJIGPFKLH-NRFANRHFSA-N 1 1 493.027 3.343 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001299748785 1064948410 /nfs/dbraw/zinc/94/84/10/1064948410.db2.gz FAEBKASCPDUHFJ-JOCHJYFZSA-N 1 1 494.482 3.067 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299748785 1064948424 /nfs/dbraw/zinc/94/84/24/1064948424.db2.gz FAEBKASCPDUHFJ-JOCHJYFZSA-N 1 1 494.482 3.067 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299748785 1064948436 /nfs/dbraw/zinc/94/84/36/1064948436.db2.gz FAEBKASCPDUHFJ-JOCHJYFZSA-N 1 1 494.482 3.067 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001299773028 1064972593 /nfs/dbraw/zinc/97/25/93/1064972593.db2.gz LMSJXVWETWRTPJ-BWKNWUBXSA-N 1 1 457.619 3.018 20 0 JGADMO COC1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001299774525 1064975534 /nfs/dbraw/zinc/97/55/34/1064975534.db2.gz FCTYUDRGDXXUEV-YADHBBJMSA-N 1 1 498.672 3.203 20 0 JGADMO COC1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCCCn2cc[nH+]c2C)C1 ZINC001299779713 1064978711 /nfs/dbraw/zinc/97/87/11/1064978711.db2.gz LUAUBOJXTPWDHG-UHFFFAOYSA-N 1 1 462.396 3.257 20 0 JGADMO COC1(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC001299786884 1064985074 /nfs/dbraw/zinc/98/50/74/1064985074.db2.gz SHJFOPXEBPNIPC-NHCUHLMSSA-N 1 1 460.667 3.466 20 0 JGADMO COC1(Cn2c(C)nnc2N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CCC(C)CC1 ZINC001299799108 1064997860 /nfs/dbraw/zinc/99/78/60/1064997860.db2.gz ZLKNOWPOZHLBJW-UHFFFAOYSA-N 1 1 454.663 3.436 20 0 JGADMO COC1(Cn2c(Cc3csc(C)n3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC001299816067 1065009751 /nfs/dbraw/zinc/00/97/51/1065009751.db2.gz YKYYVUGOCWRVTB-HDICACEKSA-N 1 1 462.664 3.138 20 0 JGADMO COC1(Cn2c(Cc3csc(C)n3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC001299816067 1065009763 /nfs/dbraw/zinc/00/97/63/1065009763.db2.gz YKYYVUGOCWRVTB-HDICACEKSA-N 1 1 462.664 3.138 20 0 JGADMO CC(C)N(C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001299817964 1065012087 /nfs/dbraw/zinc/01/20/87/1065012087.db2.gz JKUBIXKQENKELQ-MNAQKMTRSA-N 1 1 456.608 3.467 20 0 JGADMO COC1(Cn2c(N3C[C@@H](C)[C@H]([N@H+]4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)CCCCC1 ZINC001299820000 1065013447 /nfs/dbraw/zinc/01/34/47/1065013447.db2.gz BLGBWMULJVPKRA-IFMALSPDSA-N 1 1 474.694 3.304 20 0 JGADMO CCCN(C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC001299833254 1065024435 /nfs/dbraw/zinc/02/44/35/1065024435.db2.gz NZLBAKOZGNQODC-OTWHNJEPSA-N 1 1 457.644 3.278 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)O)ccc1OC(C)C ZINC001299841280 1065037366 /nfs/dbraw/zinc/03/73/66/1065037366.db2.gz PMUFVCUSTYWIJT-KDURUIRLSA-N 1 1 475.634 3.057 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)O)ccc1OC(C)C ZINC001299841280 1065037377 /nfs/dbraw/zinc/03/73/77/1065037377.db2.gz PMUFVCUSTYWIJT-KDURUIRLSA-N 1 1 475.634 3.057 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC001299844054 1065042283 /nfs/dbraw/zinc/04/22/83/1065042283.db2.gz ISGJJTBAOHDFCX-RTBURBONSA-N 1 1 486.661 3.089 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299844054 1065042297 /nfs/dbraw/zinc/04/22/97/1065042297.db2.gz ISGJJTBAOHDFCX-RTBURBONSA-N 1 1 486.661 3.089 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299844054 1065042311 /nfs/dbraw/zinc/04/23/11/1065042311.db2.gz ISGJJTBAOHDFCX-RTBURBONSA-N 1 1 486.661 3.089 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299845021 1065044737 /nfs/dbraw/zinc/04/47/37/1065044737.db2.gz XIUMSYNHTGFAKK-ZVDOUQERSA-N 1 1 487.645 3.300 20 0 JGADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)CC2)cc1C ZINC001299849494 1065051953 /nfs/dbraw/zinc/05/19/53/1065051953.db2.gz VKILJSSBOZQRCG-NOZRDPDXSA-N 1 1 469.651 3.166 20 0 JGADMO C[N@H+]1C[C@@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)[C@H](c2ccccc2)C1 ZINC001299849654 1065052112 /nfs/dbraw/zinc/05/21/12/1065052112.db2.gz MQDLRNKLSYSNDE-JRGCBEDISA-N 1 1 454.958 3.007 20 0 JGADMO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001299850326 1065054033 /nfs/dbraw/zinc/05/40/33/1065054033.db2.gz YBARHVQFIDSWDV-APWZRJJASA-N 1 1 465.413 3.236 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@H](C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299851798 1065057446 /nfs/dbraw/zinc/05/74/46/1065057446.db2.gz YMIVUXOOGNTWDT-KBMIEXCESA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299851995 1065058075 /nfs/dbraw/zinc/05/80/75/1065058075.db2.gz AANGTMLEIWPVEW-IZZNHLLZSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@@H+](C)C2CCCC2)ccc1OC(C)C ZINC001299854078 1065061417 /nfs/dbraw/zinc/06/14/17/1065061417.db2.gz ZYAMLSZTLOGZMN-HXUWFJFHSA-N 1 1 484.645 3.317 20 0 JGADMO C[N@H+]1C[C@@H](CNC(=O)CCS(=O)(=O)c2cccc(Br)c2)[C@H](c2ccccc2)C1 ZINC001299854848 1065062988 /nfs/dbraw/zinc/06/29/88/1065062988.db2.gz HPZFMFQEFHVAGV-XLIONFOSSA-N 1 1 465.413 3.075 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)cc(OC)c1OC ZINC001299857726 1065068128 /nfs/dbraw/zinc/06/81/28/1065068128.db2.gz WRMUTMBZCDJZKS-GCJKJVERSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CC=CCC2)ccc1SC ZINC001299869247 1065086323 /nfs/dbraw/zinc/08/63/23/1065086323.db2.gz CDJPPSQKSOVJLQ-UHFFFAOYSA-N 1 1 470.643 3.143 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(OC)c1 ZINC001299871058 1065088972 /nfs/dbraw/zinc/08/89/72/1065088972.db2.gz GGORAGAXQBXDMW-QFIPXVFZSA-N 1 1 468.602 3.284 20 0 JGADMO COc1cc(Cn2c(Cc3ccccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)ccc1C ZINC001299885233 1065109037 /nfs/dbraw/zinc/10/90/37/1065109037.db2.gz BHDRLIGKSMUKBH-UHFFFAOYSA-N 1 1 464.614 3.176 20 0 JGADMO COc1cc(Cn2c(CC(C)C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)ccc1OCCO ZINC001299886805 1065111131 /nfs/dbraw/zinc/11/11/31/1065111131.db2.gz VRFZYKCLDPFQTL-UHFFFAOYSA-N 1 1 459.635 3.215 20 0 JGADMO CCn1c(SCC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC001299890905 1065119944 /nfs/dbraw/zinc/11/99/44/1065119944.db2.gz DKPWUGNJYFLOFR-IYBDPMFKSA-N 1 1 452.024 3.278 20 0 JGADMO CCn1c(SCC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC001299890905 1065119953 /nfs/dbraw/zinc/11/99/53/1065119953.db2.gz DKPWUGNJYFLOFR-IYBDPMFKSA-N 1 1 452.024 3.278 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(Cc4cccnc4)n3CC(C)(C)OC)CC2)cc(OC)c1 ZINC001299891719 1065120540 /nfs/dbraw/zinc/12/05/40/1065120540.db2.gz BVXYIMVXFFJEHF-UHFFFAOYSA-N 1 1 480.613 3.028 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)CC2)cc(OC)c1 ZINC001299892992 1065121887 /nfs/dbraw/zinc/12/18/87/1065121887.db2.gz PDMJAKRVMIGJDT-SFHVURJKSA-N 1 1 488.633 3.181 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC4CCCC4)n3C[C@H](C)OC)CC2)cc(OC)c1 ZINC001299892915 1065121953 /nfs/dbraw/zinc/12/19/53/1065121953.db2.gz ODFRUTKCLPKRFU-IBGZPJMESA-N 1 1 457.619 3.385 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCc3ccn(C)n3)CC2)cc(OC)c1 ZINC001299892998 1065122508 /nfs/dbraw/zinc/12/25/08/1065122508.db2.gz PGHYUNYXFRXLAA-UHFFFAOYSA-N 1 1 481.645 3.182 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)C3CC3)CC2)cc(OC)c1 ZINC001299893977 1065124030 /nfs/dbraw/zinc/12/40/30/1065124030.db2.gz ZSRWAXWTJIZTIS-RUZDIDTESA-N 1 1 457.619 3.076 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001299895731 1065128520 /nfs/dbraw/zinc/12/85/20/1065128520.db2.gz LEHIQJBXKVKAHU-QZTJIDSGSA-N 1 1 464.010 3.191 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001299896120 1065129148 /nfs/dbraw/zinc/12/91/48/1065129148.db2.gz RBIHHYDHSQARSZ-ICSRJNTNSA-N 1 1 478.037 3.437 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001299897093 1065129793 /nfs/dbraw/zinc/12/97/93/1065129793.db2.gz AKWMWJLKYLGIJK-FQEVSTJZSA-N 1 1 491.080 3.496 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCOC1 ZINC001299899172 1065134531 /nfs/dbraw/zinc/13/45/31/1065134531.db2.gz ZIFLHZQYYCKLQO-FGTMMUONSA-N 1 1 464.010 3.189 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCOC1 ZINC001299899172 1065134542 /nfs/dbraw/zinc/13/45/42/1065134542.db2.gz ZIFLHZQYYCKLQO-FGTMMUONSA-N 1 1 464.010 3.189 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCSCCCO ZINC001299900696 1065135925 /nfs/dbraw/zinc/13/59/25/1065135925.db2.gz FXDXQLRJMGRUSC-QHCPKHFHSA-N 1 1 496.077 3.024 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001299900999 1065137204 /nfs/dbraw/zinc/13/72/04/1065137204.db2.gz HWZJWCMSTQYODC-QMHKHESXSA-N 1 1 461.010 3.041 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001299900998 1065137315 /nfs/dbraw/zinc/13/73/15/1065137315.db2.gz HWZJWCMSTQYODC-MWTRTKDXSA-N 1 1 461.010 3.041 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC(F)(F)F ZINC001299901076 1065137374 /nfs/dbraw/zinc/13/73/74/1065137374.db2.gz QNAHTLUYEPFYJQ-BBRMVZONSA-N 1 1 459.900 3.326 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001299902200 1065138658 /nfs/dbraw/zinc/13/86/58/1065138658.db2.gz QHYRPSZPZOLTKV-HSZRJFAPSA-N 1 1 464.010 3.071 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCCn1cc[nH+]c1C ZINC001299906279 1065147521 /nfs/dbraw/zinc/14/75/21/1065147521.db2.gz NFHKFHDUQBAVSE-LJQANCHMSA-N 1 1 471.993 3.307 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001299907208 1065148731 /nfs/dbraw/zinc/14/87/31/1065148731.db2.gz CVXDDEJLIQGKNB-KSZLIROESA-N 1 1 475.037 3.429 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001299907924 1065151161 /nfs/dbraw/zinc/15/11/61/1065151161.db2.gz WETWBVSRTPYKLN-MJGOQNOKSA-N 1 1 475.037 3.444 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001299907928 1065151201 /nfs/dbraw/zinc/15/12/01/1065151201.db2.gz WETWBVSRTPYKLN-PKOBYXMFSA-N 1 1 475.037 3.444 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001299908828 1065154057 /nfs/dbraw/zinc/15/40/57/1065154057.db2.gz DKCUXKWUXKKWBI-UHFFFAOYSA-N 1 1 489.064 3.416 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001299908828 1065154064 /nfs/dbraw/zinc/15/40/64/1065154064.db2.gz DKCUXKWUXKKWBI-UHFFFAOYSA-N 1 1 489.064 3.416 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001299909232 1065156248 /nfs/dbraw/zinc/15/62/48/1065156248.db2.gz REHYSTZFFRGEFD-HOTGVXAUSA-N 1 1 461.010 3.147 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCS(C)(=O)=O ZINC001299909204 1065156327 /nfs/dbraw/zinc/15/63/27/1065156327.db2.gz PYHFNTAXKQYYKK-UHFFFAOYSA-N 1 1 482.050 3.106 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@H](C)OC ZINC001299909398 1065157167 /nfs/dbraw/zinc/15/71/67/1065157167.db2.gz XHQWYDJKWOVLKK-INIZCTEOSA-N 1 1 488.036 3.315 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@@H](C)OC ZINC001299909399 1065157249 /nfs/dbraw/zinc/15/72/49/1065157249.db2.gz XHQWYDJKWOVLKK-MRXNPFEDSA-N 1 1 488.036 3.315 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001299909502 1065157854 /nfs/dbraw/zinc/15/78/54/1065157854.db2.gz BRBTTZCZNVFZQH-SFHVURJKSA-N 1 1 477.053 3.106 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCOCC(C)C ZINC001299913676 1065165481 /nfs/dbraw/zinc/16/54/81/1065165481.db2.gz ZXJPTCAUIWOFOZ-IBGZPJMESA-N 1 1 464.010 3.191 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCOCC(C)C ZINC001299913676 1065165484 /nfs/dbraw/zinc/16/54/84/1065165484.db2.gz ZXJPTCAUIWOFOZ-IBGZPJMESA-N 1 1 464.010 3.191 20 0 JGADMO COc1cc(F)cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC001299919713 1065171580 /nfs/dbraw/zinc/17/15/80/1065171580.db2.gz WAZRMXZNQAGYBV-UHFFFAOYSA-N 1 1 458.582 3.067 20 0 JGADMO COc1cc(N[C@@H]2CCCN(c3nnc(C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc(OC)c1 ZINC001299925334 1065183378 /nfs/dbraw/zinc/18/33/78/1065183378.db2.gz HKNZLMKCVXTMGP-SVFBPWRDSA-N 1 1 472.634 3.184 20 0 JGADMO COc1cc(N[C@H]2CCCN(c3nnc(C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc(OC)c1 ZINC001299925336 1065184015 /nfs/dbraw/zinc/18/40/15/1065184015.db2.gz HKNZLMKCVXTMGP-ZVDOUQERSA-N 1 1 472.634 3.184 20 0 JGADMO COc1cc(OC)c(CCn2c(CC(C)C)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(OC)c1 ZINC001299925645 1065184648 /nfs/dbraw/zinc/18/46/48/1065184648.db2.gz UGFDECGISJVASU-RTBURBONSA-N 1 1 457.619 3.418 20 0 JGADMO COc1cc(OC)c(CCn2c(CC(C)C)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(OC)c1 ZINC001299925644 1065184761 /nfs/dbraw/zinc/18/47/61/1065184761.db2.gz UGFDECGISJVASU-RBUKOAKNSA-N 1 1 457.619 3.418 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2ncccc2C)c1 ZINC001299931858 1065196306 /nfs/dbraw/zinc/19/63/06/1065196306.db2.gz HNSIEKNWFJGELT-UHFFFAOYSA-N 1 1 480.613 3.261 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2ncccc2C)c1 ZINC001299931858 1065196309 /nfs/dbraw/zinc/19/63/09/1065196309.db2.gz HNSIEKNWFJGELT-UHFFFAOYSA-N 1 1 480.613 3.261 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCn3cccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299931854 1065196357 /nfs/dbraw/zinc/19/63/57/1065196357.db2.gz HLYDYSQSVQWGSP-PMACEKPBSA-N 1 1 467.618 3.416 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001299932126 1065197707 /nfs/dbraw/zinc/19/77/07/1065197707.db2.gz LWFMVSAGGUILGC-AREMUKBSSA-N 1 1 499.612 3.010 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001299932126 1065197714 /nfs/dbraw/zinc/19/77/14/1065197714.db2.gz LWFMVSAGGUILGC-AREMUKBSSA-N 1 1 499.612 3.010 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001299932674 1065198575 /nfs/dbraw/zinc/19/85/75/1065198575.db2.gz SYTOPSFCPGQXEG-MUFBNLQYSA-N 1 1 487.645 3.059 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001299932674 1065198582 /nfs/dbraw/zinc/19/85/82/1065198582.db2.gz SYTOPSFCPGQXEG-MUFBNLQYSA-N 1 1 487.645 3.059 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299934656 1065201556 /nfs/dbraw/zinc/20/15/56/1065201556.db2.gz XDOUKLLHFDDYJU-RBUKOAKNSA-N 1 1 484.645 3.140 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001299936544 1065203623 /nfs/dbraw/zinc/20/36/23/1065203623.db2.gz OAMUDGJIIQQXHT-PZJWPPBQSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299937231 1065204706 /nfs/dbraw/zinc/20/47/06/1065204706.db2.gz RNGLHKWWQZSMBN-HXUWFJFHSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2C[C@@H](C)SC)c1 ZINC001299938325 1065207184 /nfs/dbraw/zinc/20/71/84/1065207184.db2.gz KWKDIDHLOGHXKA-UZUQRXQVSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(c4ccnn4C)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299938824 1065208295 /nfs/dbraw/zinc/20/82/95/1065208295.db2.gz SZMKSKRIMSBLKC-UHFFFAOYSA-N 1 1 467.618 3.420 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001299944106 1065215526 /nfs/dbraw/zinc/21/55/26/1065215526.db2.gz FJFWIJLAFBLGLB-NRFANRHFSA-N 1 1 484.645 3.284 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001299946696 1065222004 /nfs/dbraw/zinc/22/20/04/1065222004.db2.gz LYZZBWYSCDWQSO-CLOONOSVSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCS[C@@H](C)C3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001299950145 1065224981 /nfs/dbraw/zinc/22/49/81/1065224981.db2.gz HOVJDNUTJGVCKY-IBGZPJMESA-N 1 1 488.702 3.178 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(CC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC001299958732 1065237559 /nfs/dbraw/zinc/23/75/59/1065237559.db2.gz VQYUXWVQIODLEC-XMMPIXPASA-N 1 1 475.659 3.470 20 0 JGADMO COc1cc2c(cc1C)CN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccco1)[NH+](C)C)CC2 ZINC001299960443 1065242456 /nfs/dbraw/zinc/24/24/56/1065242456.db2.gz ZPLSQNKIGSYGBG-HXUWFJFHSA-N 1 1 466.586 3.192 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CC(F)(F)F)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001299968179 1065251576 /nfs/dbraw/zinc/25/15/76/1065251576.db2.gz CJJYRFQOIYBNSG-ZDUSSCGKSA-N 1 1 492.340 3.435 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CC(F)(F)F)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001299968179 1065251583 /nfs/dbraw/zinc/25/15/83/1065251583.db2.gz CJJYRFQOIYBNSG-ZDUSSCGKSA-N 1 1 492.340 3.435 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)C[C@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001299968320 1065251981 /nfs/dbraw/zinc/25/19/81/1065251981.db2.gz DWYCRFDQUHLDHP-QGZVFWFLSA-N 1 1 476.419 3.451 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C)C3)n2CCn2cc[nH+]c2C)c1 ZINC001299974160 1065263371 /nfs/dbraw/zinc/26/33/71/1065263371.db2.gz QYFLHYGZEHRIEZ-AWEZNQCLSA-N 1 1 461.364 3.146 20 0 JGADMO COc1ccc([C@@H](C)CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001299985302 1065287148 /nfs/dbraw/zinc/28/71/48/1065287148.db2.gz VHXDZHDUPCSAEN-UNMCSNQZSA-N 1 1 489.686 3.303 20 0 JGADMO COc1ccc([C@H](Cn2c(N3CCC(S(C)(=O)=O)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001299987390 1065289722 /nfs/dbraw/zinc/28/97/22/1065289722.db2.gz BRLCQZHKVICFSI-QFIPXVFZSA-N 1 1 489.686 3.435 20 0 JGADMO COc1ccc([C@H](Cn2c(N(C)[C@@H]3CCS(=O)(=O)C3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001299988486 1065291952 /nfs/dbraw/zinc/29/19/52/1065291952.db2.gz OFOSKGUCPKBTAY-CTNGQTDRSA-N 1 1 475.659 3.045 20 0 JGADMO COc1ccc(C)cc1CN1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299989960 1065293198 /nfs/dbraw/zinc/29/31/98/1065293198.db2.gz ATLROMJNWNALCX-UHFFFAOYSA-N 1 1 477.657 3.243 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCCCS(C)(=O)=O)CC1 ZINC001299990457 1065293956 /nfs/dbraw/zinc/29/39/56/1065293956.db2.gz HSLUSQIUEHLBHJ-UHFFFAOYSA-N 1 1 491.702 3.430 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001299990782 1065294396 /nfs/dbraw/zinc/29/43/96/1065294396.db2.gz OCEIERUXNIKPBG-UHFFFAOYSA-N 1 1 479.629 3.075 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001299996350 1065305149 /nfs/dbraw/zinc/30/51/49/1065305149.db2.gz GDGRYGNKGOXRBG-GOSISDBHSA-N 1 1 472.634 3.045 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2CCOCC2)cc1 ZINC001299996966 1065306993 /nfs/dbraw/zinc/30/69/93/1065306993.db2.gz AXUUWLFARCQSCY-UHFFFAOYSA-N 1 1 457.619 3.175 20 0 JGADMO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492200677 1065314028 /nfs/dbraw/zinc/31/40/28/1065314028.db2.gz FWGQGOZFNXDLRA-CALCHBBNSA-N 1 1 488.683 3.233 20 0 JGADMO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492200677 1065314045 /nfs/dbraw/zinc/31/40/45/1065314045.db2.gz FWGQGOZFNXDLRA-CALCHBBNSA-N 1 1 488.683 3.233 20 0 JGADMO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@@H]4CCCOC4)n3CC[N@H+](C)C(C)C)CC2)cc1 ZINC001492205530 1065319431 /nfs/dbraw/zinc/31/94/31/1065319431.db2.gz JTKVMEGGOBMLMK-XMMPIXPASA-N 1 1 482.673 3.354 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492208048 1065322240 /nfs/dbraw/zinc/32/22/40/1065322240.db2.gz ISQNRSAIKFZJGC-MOPGFXCFSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCOC3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001492211584 1065324365 /nfs/dbraw/zinc/32/43/65/1065324365.db2.gz OWJVXRQUHRTTJB-NRFANRHFSA-N 1 1 458.626 3.140 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492587860 1065334084 /nfs/dbraw/zinc/33/40/84/1065334084.db2.gz DGZNGVWTDCPENI-BJKOFHAPSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCOC3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001492234423 1065335013 /nfs/dbraw/zinc/33/50/13/1065335013.db2.gz DDVZYNWFBKXRPJ-WOJBJXKFSA-N 1 1 452.559 3.268 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@]4(CCOC4)OC(C)(C)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492243089 1065341529 /nfs/dbraw/zinc/34/15/29/1065341529.db2.gz ALHDFAUWOCDSHR-AREMUKBSSA-N 1 1 484.645 3.262 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001492243985 1065342026 /nfs/dbraw/zinc/34/20/26/1065342026.db2.gz JFBJOTRSMJHVQO-JAXLGGSGSA-N 1 1 454.619 3.086 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCC[NH+]2CCOCC2)cc1C ZINC001492244202 1065342883 /nfs/dbraw/zinc/34/28/83/1065342883.db2.gz OJLBMQPURDBFKE-KDURUIRLSA-N 1 1 454.619 3.352 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001492250400 1065350425 /nfs/dbraw/zinc/35/04/25/1065350425.db2.gz MFWUYYMSQIUDPX-WIYYLYMNSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492253340 1065353314 /nfs/dbraw/zinc/35/33/14/1065353314.db2.gz DVNNSGKFPZEUGD-MOPGFXCFSA-N 1 1 454.619 3.352 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001492254733 1065354960 /nfs/dbraw/zinc/35/49/60/1065354960.db2.gz NHARRQWOBBMQKL-YUXAGFNASA-N 1 1 495.672 3.359 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1C ZINC001492265369 1065357442 /nfs/dbraw/zinc/35/74/42/1065357442.db2.gz HKFJLDXTNPDOAK-NRFANRHFSA-N 1 1 495.672 3.373 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCCCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492265297 1065357494 /nfs/dbraw/zinc/35/74/94/1065357494.db2.gz GSCIZCQUEKNUGD-HSZRJFAPSA-N 1 1 495.672 3.470 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCCCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492265298 1065357556 /nfs/dbraw/zinc/35/75/56/1065357556.db2.gz GSCIZCQUEKNUGD-QHCPKHFHSA-N 1 1 495.672 3.470 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCc2cnn(C)n2)cc1C ZINC001492265777 1065358943 /nfs/dbraw/zinc/35/89/43/1065358943.db2.gz JHKLKFPSQBTWHQ-UHFFFAOYSA-N 1 1 493.660 3.219 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001492265952 1065359479 /nfs/dbraw/zinc/35/94/79/1065359479.db2.gz LDUWUUILZFBCJL-WIYYLYMNSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CC(C)(C)O)cc1C ZINC001492269264 1065364713 /nfs/dbraw/zinc/36/47/13/1065364713.db2.gz XIAYHEZAPKHXTM-UHFFFAOYSA-N 1 1 468.627 3.302 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)C2)nc1 ZINC001492277183 1065371862 /nfs/dbraw/zinc/37/18/62/1065371862.db2.gz VDPPJVKJIYAXHU-VXKWHMMOSA-N 1 1 497.688 3.491 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC(C)(C)[NH+]2CCOCC2)o1 ZINC001492284223 1065377175 /nfs/dbraw/zinc/37/71/75/1065377175.db2.gz RJHLEAWBIOZCPR-UHFFFAOYSA-N 1 1 466.586 3.341 20 0 JGADMO Cc1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001492289245 1065380333 /nfs/dbraw/zinc/38/03/33/1065380333.db2.gz XTELGMWAVHTLEH-NRFANRHFSA-N 1 1 469.634 3.044 20 0 JGADMO Cc1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001492289245 1065380343 /nfs/dbraw/zinc/38/03/43/1065380343.db2.gz XTELGMWAVHTLEH-NRFANRHFSA-N 1 1 469.634 3.044 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001492288923 1065383368 /nfs/dbraw/zinc/38/33/68/1065383368.db2.gz QHWRDOXKSVTZQF-QFIPXVFZSA-N 1 1 491.640 3.148 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC001492319555 1065394620 /nfs/dbraw/zinc/39/46/20/1065394620.db2.gz DCQCJMNJXGYTHZ-XMMPIXPASA-N 1 1 481.645 3.201 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cnn1C ZINC001492321388 1065396024 /nfs/dbraw/zinc/39/60/24/1065396024.db2.gz ZRBHXUWILXNBPQ-NRFANRHFSA-N 1 1 481.645 3.345 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492330828 1065400868 /nfs/dbraw/zinc/40/08/68/1065400868.db2.gz TVNWAEIAONLSNI-TVZXLZGTSA-N 1 1 473.662 3.426 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492330828 1065400877 /nfs/dbraw/zinc/40/08/77/1065400877.db2.gz TVNWAEIAONLSNI-TVZXLZGTSA-N 1 1 473.662 3.426 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492330832 1065401070 /nfs/dbraw/zinc/40/10/70/1065401070.db2.gz TVNWAEIAONLSNI-VRUMLPLGSA-N 1 1 473.662 3.426 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492330832 1065401075 /nfs/dbraw/zinc/40/10/75/1065401075.db2.gz TVNWAEIAONLSNI-VRUMLPLGSA-N 1 1 473.662 3.426 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@]2(O)CCC[C@H]2C)cc1 ZINC001492331057 1065401489 /nfs/dbraw/zinc/40/14/89/1065401489.db2.gz VTEPSBQUJWCYTL-RLWLMLJZSA-N 1 1 471.646 3.264 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@]2(O)CCC[C@H]2C)cc1 ZINC001492331057 1065401497 /nfs/dbraw/zinc/40/14/97/1065401497.db2.gz VTEPSBQUJWCYTL-RLWLMLJZSA-N 1 1 471.646 3.264 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492336571 1065403440 /nfs/dbraw/zinc/40/34/40/1065403440.db2.gz BLYDYQAWTPLKIV-UYAOXDASSA-N 1 1 483.535 3.249 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCn2cc(Cl)cn2)cc1 ZINC001492338872 1065406884 /nfs/dbraw/zinc/40/68/84/1065406884.db2.gz RWIDQEKEZUEXAY-BGYRXZFFSA-N 1 1 488.036 3.261 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCn2cc(Cl)cn2)cc1 ZINC001492338872 1065406889 /nfs/dbraw/zinc/40/68/89/1065406889.db2.gz RWIDQEKEZUEXAY-BGYRXZFFSA-N 1 1 488.036 3.261 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001492339529 1065407581 /nfs/dbraw/zinc/40/75/81/1065407581.db2.gz OOCJKBIXNVYJMB-VXKWHMMOSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001492289291 1065408982 /nfs/dbraw/zinc/40/89/82/1065408982.db2.gz YZFDIKUYIQHUPR-LJQANCHMSA-N 1 1 495.653 3.137 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001492294658 1065409749 /nfs/dbraw/zinc/40/97/49/1065409749.db2.gz JTTQXUDYAFOTSG-HXUWFJFHSA-N 1 1 465.602 3.058 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001492294658 1065409756 /nfs/dbraw/zinc/40/97/56/1065409756.db2.gz JTTQXUDYAFOTSG-HXUWFJFHSA-N 1 1 465.602 3.058 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001492353831 1065417303 /nfs/dbraw/zinc/41/73/03/1065417303.db2.gz NBGNMQKVXJUARI-QFIPXVFZSA-N 1 1 489.686 3.157 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492370308 1065431887 /nfs/dbraw/zinc/43/18/87/1065431887.db2.gz HQTFPZZWAXROIH-BHIFYINESA-N 1 1 498.672 3.145 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372419 1065438045 /nfs/dbraw/zinc/43/80/45/1065438045.db2.gz ZQZHCDZIGSIXPT-YADHBBJMSA-N 1 1 489.686 3.301 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCOCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492377854 1065442373 /nfs/dbraw/zinc/44/23/73/1065442373.db2.gz WZRCYFNKFAVNAU-HSZRJFAPSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCS(=O)(=O)CC2CC2)cc1 ZINC001492378160 1065443147 /nfs/dbraw/zinc/44/31/47/1065443147.db2.gz ZZYJDJIXMDZHDN-UHFFFAOYSA-N 1 1 489.686 3.301 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492401266 1065470887 /nfs/dbraw/zinc/47/08/87/1065470887.db2.gz JBLGDFGFJLSRAW-JOCHJYFZSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492418304 1065478839 /nfs/dbraw/zinc/47/88/39/1065478839.db2.gz FTYZJVQEONETJI-JOCHJYFZSA-N 1 1 468.646 3.458 20 0 JGADMO Cc1ccc(OCCn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492424955 1065483806 /nfs/dbraw/zinc/48/38/06/1065483806.db2.gz OUBYCGNERACKAU-OYRHEFFESA-N 1 1 450.587 3.273 20 0 JGADMO Cc1ccc(OCCn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492424955 1065483810 /nfs/dbraw/zinc/48/38/10/1065483810.db2.gz OUBYCGNERACKAU-OYRHEFFESA-N 1 1 450.587 3.273 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCOc2ccc(C)cc2)n1 ZINC001492431257 1065489017 /nfs/dbraw/zinc/48/90/17/1065489017.db2.gz SKLBUTKCZGXXEF-UHFFFAOYSA-N 1 1 451.619 3.448 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2COCCO2)cc1 ZINC001492447197 1065500865 /nfs/dbraw/zinc/50/08/65/1065500865.db2.gz ZTKSNIDFCOJPJS-OAQYLSRUSA-N 1 1 489.686 3.089 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCC3CCOCC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492449168 1065502475 /nfs/dbraw/zinc/50/24/75/1065502475.db2.gz QXEGMZWDBXWIHK-DEOSSOPVSA-N 1 1 459.660 3.198 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492460056 1065508154 /nfs/dbraw/zinc/50/81/54/1065508154.db2.gz NQJSEKQQJCXYOU-OFVILXPXSA-N 1 1 473.687 3.444 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001492461705 1065510357 /nfs/dbraw/zinc/51/03/57/1065510357.db2.gz HJYFVDBHPNUYGF-RBUKOAKNSA-N 1 1 456.660 3.453 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CC(=O)NC(C)C)cc1 ZINC001492465630 1065512028 /nfs/dbraw/zinc/51/20/28/1065512028.db2.gz FYQUOSUUKHIBHE-HXUWFJFHSA-N 1 1 486.686 3.093 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001492467913 1065515351 /nfs/dbraw/zinc/51/53/51/1065515351.db2.gz PZLWKKDYOAPKHS-UHFFFAOYSA-N 1 1 456.660 3.470 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300828306 1065557596 /nfs/dbraw/zinc/55/75/96/1065557596.db2.gz XGJJAOJQZILLFH-GHTZIAJQSA-N 1 1 462.038 3.494 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300828306 1065557605 /nfs/dbraw/zinc/55/76/05/1065557605.db2.gz XGJJAOJQZILLFH-GHTZIAJQSA-N 1 1 462.038 3.494 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001300844099 1065584098 /nfs/dbraw/zinc/58/40/98/1065584098.db2.gz QVKPOAZNPKUBCE-WSTZPKSXSA-N 1 1 474.675 3.251 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001300845703 1065587865 /nfs/dbraw/zinc/58/78/65/1065587865.db2.gz VMWZVYGHSNZNKS-PKOBYXMFSA-N 1 1 460.648 3.005 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001300904055 1065702776 /nfs/dbraw/zinc/70/27/76/1065702776.db2.gz DDLKXWOIAYBUCO-UHFFFAOYSA-N 1 1 481.016 3.199 20 0 JGADMO COCC(C)(C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001300925755 1065723832 /nfs/dbraw/zinc/72/38/32/1065723832.db2.gz OGVRHDSQHBIUDQ-SFTDATJTSA-N 1 1 463.667 3.314 20 0 JGADMO COCC(C)(C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001300927162 1065725873 /nfs/dbraw/zinc/72/58/73/1065725873.db2.gz QXKKBGRFYSSEHY-QFIPXVFZSA-N 1 1 487.693 3.282 20 0 JGADMO COCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001300938264 1065740274 /nfs/dbraw/zinc/74/02/74/1065740274.db2.gz OOFMEAOOBCOEJB-OAQYLSRUSA-N 1 1 451.619 3.310 20 0 JGADMO COCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300939303 1065742124 /nfs/dbraw/zinc/74/21/24/1065742124.db2.gz AFWAKQQOFVZHQJ-UHFFFAOYSA-N 1 1 481.645 3.175 20 0 JGADMO COCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001300943148 1065745514 /nfs/dbraw/zinc/74/55/14/1065745514.db2.gz SLTUFKFAYQAPBO-IFMALSPDSA-N 1 1 495.734 3.334 20 0 JGADMO COC[C@@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300954207 1065758675 /nfs/dbraw/zinc/75/86/75/1065758675.db2.gz VVRRQSFBVXKJCH-VQTJNVASSA-N 1 1 485.608 3.286 20 0 JGADMO COC[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001300955866 1065760228 /nfs/dbraw/zinc/76/02/28/1065760228.db2.gz GRUICKZCNCMFCH-INMHGKMJSA-N 1 1 451.413 3.002 20 0 JGADMO COC[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300958466 1065765696 /nfs/dbraw/zinc/76/56/96/1065765696.db2.gz WHLZXOYTPXLCTF-MBOZVWFJSA-N 1 1 478.435 3.147 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300959972 1065768054 /nfs/dbraw/zinc/76/80/54/1065768054.db2.gz ZDVJDXNDZIJLET-OWCLPIDISA-N 1 1 484.464 3.209 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001300961512 1065770229 /nfs/dbraw/zinc/77/02/29/1065770229.db2.gz LJNUESGRJVDTCL-HLIPFELVSA-N 1 1 478.435 3.147 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001300963870 1065772413 /nfs/dbraw/zinc/77/24/13/1065772413.db2.gz CCOPLHKSSMJQRJ-QINHECLXSA-N 1 1 451.974 3.177 20 0 JGADMO COC[C@@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001300968142 1065776724 /nfs/dbraw/zinc/77/67/24/1065776724.db2.gz ZVEYWVPOJJRAOF-KSFYIVLOSA-N 1 1 496.425 3.430 20 0 JGADMO COC[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001300973765 1065783270 /nfs/dbraw/zinc/78/32/70/1065783270.db2.gz BJLPHUCKBDDFSO-NJYVYQBISA-N 1 1 490.643 3.424 20 0 JGADMO COC[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001300985194 1065796714 /nfs/dbraw/zinc/79/67/14/1065796714.db2.gz PQTZYURFBQFQKD-RTWAWAEBSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300985191 1065796948 /nfs/dbraw/zinc/79/69/48/1065796948.db2.gz PMIKCANOYAFAQJ-JOCHJYFZSA-N 1 1 481.645 3.202 20 0 JGADMO COC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001301002309 1065828336 /nfs/dbraw/zinc/82/83/36/1065828336.db2.gz YCQKKQANOXNIGH-ZHRMCQFGSA-N 1 1 494.036 3.034 20 0 JGADMO COC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)OC ZINC001301002620 1065828866 /nfs/dbraw/zinc/82/88/66/1065828866.db2.gz HCMWLPPOYHJGDL-KKUMJFAQSA-N 1 1 470.437 3.103 20 0 JGADMO COC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)OC ZINC001301002618 1065829033 /nfs/dbraw/zinc/82/90/33/1065829033.db2.gz HCMWLPPOYHJGDL-ILXRZTDVSA-N 1 1 470.437 3.103 20 0 JGADMO COC[C@@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)OC ZINC001301022084 1065857062 /nfs/dbraw/zinc/85/70/62/1065857062.db2.gz MQODRERTVZABSW-JOCHJYFZSA-N 1 1 457.619 3.236 20 0 JGADMO COC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC ZINC001301028499 1065866844 /nfs/dbraw/zinc/86/68/44/1065866844.db2.gz ZTYZOBJLNSPOIE-HXUWFJFHSA-N 1 1 450.027 3.494 20 0 JGADMO O=C(CCN1C(=O)COc2cc(Br)ccc21)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001301036028 1065878317 /nfs/dbraw/zinc/87/83/17/1065878317.db2.gz VYYJJCNLGKQOKN-INIZCTEOSA-N 1 1 450.377 3.088 20 0 JGADMO COC[C@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301037923 1065879507 /nfs/dbraw/zinc/87/95/07/1065879507.db2.gz BQRYLCQFBUJBJU-QGZVFWFLSA-N 1 1 483.430 3.485 20 0 JGADMO COC[C@H](F)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001301040879 1065883703 /nfs/dbraw/zinc/88/37/03/1065883703.db2.gz OHYIXJAURVSXTC-SXLOBPIMSA-N 1 1 482.000 3.194 20 0 JGADMO COC[C@H](F)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001301040879 1065883706 /nfs/dbraw/zinc/88/37/06/1065883706.db2.gz OHYIXJAURVSXTC-SXLOBPIMSA-N 1 1 482.000 3.194 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301042196 1065885678 /nfs/dbraw/zinc/88/56/78/1065885678.db2.gz BGCDLLQJNYDKSR-LPHOPBHVSA-N 1 1 451.974 3.273 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301043710 1065888597 /nfs/dbraw/zinc/88/85/97/1065888597.db2.gz LFBCYGKEDMRNBQ-SFHVURJKSA-N 1 1 479.597 3.266 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301047241 1065894445 /nfs/dbraw/zinc/89/44/45/1065894445.db2.gz IBTFSGWHPQOZCK-DOTOQJQBSA-N 1 1 469.964 3.412 20 0 JGADMO C=Cc1ccc(CCn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001301099736 1065947017 /nfs/dbraw/zinc/94/70/17/1065947017.db2.gz IBBGBBJHTCXAJT-HSZRJFAPSA-N 1 1 453.631 3.462 20 0 JGADMO COCC1(CCn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCCC1 ZINC001301117846 1065961658 /nfs/dbraw/zinc/96/16/58/1065961658.db2.gz PSQJQIYWVMGXJS-UHFFFAOYSA-N 1 1 460.667 3.308 20 0 JGADMO COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC001301124951 1065966336 /nfs/dbraw/zinc/96/63/36/1065966336.db2.gz KTQUGQDJPSMCOF-SFTDATJTSA-N 1 1 460.667 3.324 20 0 JGADMO COCc1cccc(Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001301172106 1066005709 /nfs/dbraw/zinc/00/57/09/1066005709.db2.gz UJJKIPGJATZGFP-AREMUKBSSA-N 1 1 471.646 3.434 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301226958 1066046311 /nfs/dbraw/zinc/04/63/11/1066046311.db2.gz DXPBEKVBKPUDOR-JTHBVZDNSA-N 1 1 468.646 3.288 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301239266 1066057126 /nfs/dbraw/zinc/05/71/26/1066057126.db2.gz UMDPGEFRYFTOMD-IAGOWNOFSA-N 1 1 481.439 3.009 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001301240059 1066058019 /nfs/dbraw/zinc/05/80/19/1066058019.db2.gz ORWWYQORKDXWPY-IRLDBZIGSA-N 1 1 457.619 3.053 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301247295 1066063952 /nfs/dbraw/zinc/06/39/52/1066063952.db2.gz BFPNUVXKSQWGQN-XJUOHMSHSA-N 1 1 470.662 3.405 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301251070 1066068449 /nfs/dbraw/zinc/06/84/49/1066068449.db2.gz LLPDYPRUMHXUFW-HXUWFJFHSA-N 1 1 475.609 3.360 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001301253200 1066069639 /nfs/dbraw/zinc/06/96/39/1066069639.db2.gz ZFWSEETYSFAJSS-JIPXPUAJSA-N 1 1 485.673 3.474 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001301253202 1066069705 /nfs/dbraw/zinc/06/97/05/1066069705.db2.gz ZFWSEETYSFAJSS-KDYSTLNUSA-N 1 1 485.673 3.474 20 0 JGADMO COC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301255878 1066070828 /nfs/dbraw/zinc/07/08/28/1066070828.db2.gz IGLVMHGAAJOYLV-UNMCSNQZSA-N 1 1 477.613 3.309 20 0 JGADMO COC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001301256937 1066071265 /nfs/dbraw/zinc/07/12/65/1066071265.db2.gz SNJZWXOENJRQGX-FQEVSTJZSA-N 1 1 456.635 3.168 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001301261024 1066075944 /nfs/dbraw/zinc/07/59/44/1066075944.db2.gz IJDGKQPDMGZRCF-HOTGVXAUSA-N 1 1 465.440 3.392 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001301264308 1066080106 /nfs/dbraw/zinc/08/01/06/1066080106.db2.gz GVKJAWFNAMTJJN-DLBZAZTESA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001301264308 1066080116 /nfs/dbraw/zinc/08/01/16/1066080116.db2.gz GVKJAWFNAMTJJN-DLBZAZTESA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301265149 1066080529 /nfs/dbraw/zinc/08/05/29/1066080529.db2.gz JOLUMDJOYUYPEH-DENIHFKCSA-N 1 1 489.686 3.332 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301295106 1066100635 /nfs/dbraw/zinc/10/06/35/1066100635.db2.gz QVJDCRKZWWVLAX-QGZVFWFLSA-N 1 1 465.545 3.130 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301295106 1066100639 /nfs/dbraw/zinc/10/06/39/1066100639.db2.gz QVJDCRKZWWVLAX-QGZVFWFLSA-N 1 1 465.545 3.130 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001301297819 1066104104 /nfs/dbraw/zinc/10/41/04/1066104104.db2.gz GCNWVDNPGIUMEE-RTWAWAEBSA-N 1 1 489.686 3.476 20 0 JGADMO COC[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCOCC2)C1 ZINC001301298033 1066104616 /nfs/dbraw/zinc/10/46/16/1066104616.db2.gz QVPGOKICHGGEPE-FCHUYYIVSA-N 1 1 457.619 3.230 20 0 JGADMO COCC1CCN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001301298769 1066105963 /nfs/dbraw/zinc/10/59/63/1066105963.db2.gz XKKNDWZIDHDLHN-UHFFFAOYSA-N 1 1 478.435 3.293 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301306514 1066110210 /nfs/dbraw/zinc/11/02/10/1066110210.db2.gz FZIIIJYXNHPRMR-MRXNPFEDSA-N 1 1 496.425 3.430 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301306514 1066110213 /nfs/dbraw/zinc/11/02/13/1066110213.db2.gz FZIIIJYXNHPRMR-MRXNPFEDSA-N 1 1 496.425 3.430 20 0 JGADMO COCC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001301307618 1066110878 /nfs/dbraw/zinc/11/08/78/1066110878.db2.gz FCISWBGRGGNHFL-KRWDZBQOSA-N 1 1 478.435 3.291 20 0 JGADMO COCC1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001301325025 1066119574 /nfs/dbraw/zinc/11/95/74/1066119574.db2.gz SGDVLRGOWCWSGL-UHFFFAOYSA-N 1 1 468.690 3.314 20 0 JGADMO COC[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301342649 1066132734 /nfs/dbraw/zinc/13/27/34/1066132734.db2.gz GNLLEVSLIWWDHB-LEWJYISDSA-N 1 1 457.619 3.459 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001301361873 1066156267 /nfs/dbraw/zinc/15/62/67/1066156267.db2.gz OYIQPVDQERPFJC-SFHVURJKSA-N 1 1 495.466 3.020 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H](C)O1 ZINC001301368145 1066162143 /nfs/dbraw/zinc/16/21/43/1066162143.db2.gz IBUNKYZGSOKPHY-NSHGMRRFSA-N 1 1 496.027 3.479 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC001301369180 1066163775 /nfs/dbraw/zinc/16/37/75/1066163775.db2.gz OMDKSGLNWLSZMI-NSHGMRRFSA-N 1 1 463.026 3.498 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001301370604 1066165072 /nfs/dbraw/zinc/16/50/72/1066165072.db2.gz APQWFFBSQNCLDS-UGTOYMOASA-N 1 1 487.645 3.082 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001301371732 1066165954 /nfs/dbraw/zinc/16/59/54/1066165954.db2.gz ZCGPEUWSSFFBOF-RYRKJORJSA-N 1 1 484.428 3.213 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001301371731 1066165960 /nfs/dbraw/zinc/16/59/60/1066165960.db2.gz ZCGPEUWSSFFBOF-NUJGCVRESA-N 1 1 484.428 3.213 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301372001 1066166026 /nfs/dbraw/zinc/16/60/26/1066166026.db2.gz DSIXGFXGSUASQT-TZIWHRDSSA-N 1 1 452.603 3.464 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001301386362 1066173604 /nfs/dbraw/zinc/17/36/04/1066173604.db2.gz CWSQEEMUUTZGMY-NYVOZVTQSA-N 1 1 461.582 3.031 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001301386361 1066173612 /nfs/dbraw/zinc/17/36/12/1066173612.db2.gz CWSQEEMUUTZGMY-COPCDDAFSA-N 1 1 461.582 3.031 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC001301396076 1066177244 /nfs/dbraw/zinc/17/72/44/1066177244.db2.gz HICMTQXMWYRZHO-NQIIRXRSSA-N 1 1 456.566 3.233 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001301397713 1066178559 /nfs/dbraw/zinc/17/85/59/1066178559.db2.gz SZIMAVKZLIFBQD-SQJMNOBHSA-N 1 1 478.641 3.393 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC001301406773 1066189171 /nfs/dbraw/zinc/18/91/71/1066189171.db2.gz MTGCUTSKAJMMAH-GMAHTHKFSA-N 1 1 473.666 3.034 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301408647 1066192916 /nfs/dbraw/zinc/19/29/16/1066192916.db2.gz XIEYSLRWCAQJGB-APTRMMRNSA-N 1 1 471.646 3.446 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001301408868 1066193440 /nfs/dbraw/zinc/19/34/40/1066193440.db2.gz BEFGEUCRZNYGNZ-QGZVFWFLSA-N 1 1 472.417 3.356 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301409787 1066196013 /nfs/dbraw/zinc/19/60/13/1066196013.db2.gz KPZCFZKIGGPOOI-VXKWHMMOSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001301414244 1066203160 /nfs/dbraw/zinc/20/31/60/1066203160.db2.gz MZADCVIMZVUJIW-CIAFKFPVSA-N 1 1 463.667 3.313 20 0 JGADMO COCCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001301423073 1066216462 /nfs/dbraw/zinc/21/64/62/1066216462.db2.gz AATVYQHVRZPMCB-OAQYLSRUSA-N 1 1 489.064 3.404 20 0 JGADMO COCCC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301430222 1066227457 /nfs/dbraw/zinc/22/74/57/1066227457.db2.gz MMYZLSIUOJFJIM-NFBKMPQASA-N 1 1 474.694 3.062 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301437240 1066238925 /nfs/dbraw/zinc/23/89/25/1066238925.db2.gz FZPWBWMMULMWMZ-JIGPKXGUSA-N 1 1 496.425 3.307 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301437753 1066239387 /nfs/dbraw/zinc/23/93/87/1066239387.db2.gz MCPXNSRCQKYVCX-VGSWGCGISA-N 1 1 496.425 3.309 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001301948501 1066242420 /nfs/dbraw/zinc/24/24/20/1066242420.db2.gz KZIQLQDWWFWYPV-UHFFFAOYSA-N 1 1 482.654 3.260 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001301948501 1066242440 /nfs/dbraw/zinc/24/24/40/1066242440.db2.gz KZIQLQDWWFWYPV-UHFFFAOYSA-N 1 1 482.654 3.260 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301439002 1066242839 /nfs/dbraw/zinc/24/28/39/1066242839.db2.gz CSKDMSXLVVMNSN-PERKRYKHSA-N 1 1 478.435 3.168 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001301948961 1066243894 /nfs/dbraw/zinc/24/38/94/1066243894.db2.gz PAOLNQPDQLNQLW-OALUTQOASA-N 1 1 484.674 3.003 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301950758 1066248008 /nfs/dbraw/zinc/24/80/08/1066248008.db2.gz IQAKXUZXFWYQDS-JOCHJYFZSA-N 1 1 486.636 3.184 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001301448023 1066260847 /nfs/dbraw/zinc/26/08/47/1066260847.db2.gz DZIVOXBNTXMXOP-CLLDFNAGSA-N 1 1 487.645 3.199 20 0 JGADMO COCC[C@@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301448104 1066261483 /nfs/dbraw/zinc/26/14/83/1066261483.db2.gz AZKLZRXMYHJAIH-XMMPIXPASA-N 1 1 473.618 3.179 20 0 JGADMO COCC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301450017 1066263438 /nfs/dbraw/zinc/26/34/38/1066263438.db2.gz KUTDNNDBIAWRCZ-DEOSSOPVSA-N 1 1 491.608 3.318 20 0 JGADMO COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001301452195 1066267382 /nfs/dbraw/zinc/26/73/82/1066267382.db2.gz SJQCEXDXJQVVIF-RRPNLBNLSA-N 1 1 485.673 3.136 20 0 JGADMO COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001301452195 1066267396 /nfs/dbraw/zinc/26/73/96/1066267396.db2.gz SJQCEXDXJQVVIF-RRPNLBNLSA-N 1 1 485.673 3.136 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001301453514 1066269891 /nfs/dbraw/zinc/26/98/91/1066269891.db2.gz USZZCXUGBALPAG-HNVPCBRESA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001301454373 1066271659 /nfs/dbraw/zinc/27/16/59/1066271659.db2.gz ZUVMBCAWYSKCHS-HHHXNRCGSA-N 1 1 494.640 3.075 20 0 JGADMO COCC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301460242 1066280999 /nfs/dbraw/zinc/28/09/99/1066280999.db2.gz SXSLHZAGGBPORK-CLOONOSVSA-N 1 1 475.609 3.094 20 0 JGADMO COCCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CCCC1 ZINC001301477760 1066300366 /nfs/dbraw/zinc/30/03/66/1066300366.db2.gz MIVQTIBFPVVAQI-NRFANRHFSA-N 1 1 460.667 3.383 20 0 JGADMO COCCO[C@H](C)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CCCn1cc[nH+]c1C ZINC001301993429 1066317757 /nfs/dbraw/zinc/31/77/57/1066317757.db2.gz KBQGWONLVJCYFB-RTBURBONSA-N 1 1 454.575 3.385 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001301494152 1066318956 /nfs/dbraw/zinc/31/89/56/1066318956.db2.gz JXAUODFSXSLOQQ-HXUWFJFHSA-N 1 1 452.640 3.005 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCOc1cc(C)cc(C)c1 ZINC001301996828 1066325183 /nfs/dbraw/zinc/32/51/83/1066325183.db2.gz AJXJFTKRDYRMJB-VSKRKVRLSA-N 1 1 457.619 3.371 20 0 JGADMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 ZINC001301503483 1066329151 /nfs/dbraw/zinc/32/91/51/1066329151.db2.gz FPVHVYDCSGFCJD-LJQANCHMSA-N 1 1 451.608 3.045 20 0 JGADMO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC001301503888 1066329812 /nfs/dbraw/zinc/32/98/12/1066329812.db2.gz NFKFNLCBMVAQOU-INIZCTEOSA-N 1 1 457.434 3.240 20 0 JGADMO COCC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301506802 1066335414 /nfs/dbraw/zinc/33/54/14/1066335414.db2.gz WLVAXARZUOIVHR-UEOMBKFZSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001302013963 1066359769 /nfs/dbraw/zinc/35/97/69/1066359769.db2.gz GLULEZNLPLEKOT-GOTSBHOMSA-N 1 1 488.721 3.236 20 0 JGADMO COCCCCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301538591 1066366283 /nfs/dbraw/zinc/36/62/83/1066366283.db2.gz DRLQAUOHZCVAFA-JOCHJYFZSA-N 1 1 459.639 3.009 20 0 JGADMO CN(CC[N@@H+](C)CCO)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001301545264 1066374966 /nfs/dbraw/zinc/37/49/66/1066374966.db2.gz GNSCLDLGNPEGSF-UHFFFAOYSA-N 1 1 457.372 3.298 20 0 JGADMO COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC001301546960 1066376382 /nfs/dbraw/zinc/37/63/82/1066376382.db2.gz KTUHOLPRBOHKGY-YADHBBJMSA-N 1 1 457.596 3.407 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@H]1CC1(C)C ZINC001302023422 1066378729 /nfs/dbraw/zinc/37/87/29/1066378729.db2.gz GNEKPLRTODMMGA-LEWJYISDSA-N 1 1 462.683 3.043 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(F)cc1 ZINC001302025159 1066382623 /nfs/dbraw/zinc/38/26/23/1066382623.db2.gz QOUWIRHLVCVEEG-NRFANRHFSA-N 1 1 488.652 3.184 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCOCC2)CCO1 ZINC001302026080 1066385758 /nfs/dbraw/zinc/38/57/58/1066385758.db2.gz AWBOQHUKWDPMJJ-RUZDIDTESA-N 1 1 459.610 3.372 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302026661 1066387273 /nfs/dbraw/zinc/38/72/73/1066387273.db2.gz HXUXZDXLWCBYQW-GJZGRUSLSA-N 1 1 455.390 3.361 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001302027348 1066389328 /nfs/dbraw/zinc/38/93/28/1066389328.db2.gz IVYNJCLEZWCQPB-RDPSFJRHSA-N 1 1 490.693 3.246 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001302028254 1066391105 /nfs/dbraw/zinc/39/11/05/1066391105.db2.gz GSJOFCWPZSXCQV-GJZUVCINSA-N 1 1 470.662 3.142 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001302029824 1066394134 /nfs/dbraw/zinc/39/41/34/1066394134.db2.gz UOQBHBISSPDCMI-VRUMLPLGSA-N 1 1 471.646 3.140 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC3(Cc4ccccc4C3=O)CC2)n1CC[N@@H+](C)C(C)C ZINC001302034843 1066403735 /nfs/dbraw/zinc/40/37/35/1066403735.db2.gz CYRACTCTVANEME-FQEVSTJZSA-N 1 1 469.630 3.368 20 0 JGADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001302035751 1066405160 /nfs/dbraw/zinc/40/51/60/1066405160.db2.gz MCGJBASKMHCVNH-HNNXBMFYSA-N 1 1 456.395 3.177 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1CC(C)(C)O ZINC001302036926 1066406826 /nfs/dbraw/zinc/40/68/26/1066406826.db2.gz JDKZJZIRTLTKSQ-OAQYLSRUSA-N 1 1 471.646 3.266 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CC[N@@H+]1CC=CCC1 ZINC001302037132 1066407742 /nfs/dbraw/zinc/40/77/42/1066407742.db2.gz KPEUMRRHPAKSHF-HXUWFJFHSA-N 1 1 455.603 3.144 20 0 JGADMO COCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301580777 1066415647 /nfs/dbraw/zinc/41/56/47/1066415647.db2.gz GOJXZMYHXZAEOW-FYYLOGMGSA-N 1 1 487.693 3.296 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3ccccc3CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302042111 1066417750 /nfs/dbraw/zinc/41/77/50/1066417750.db2.gz PJKYBLLWWLMHLO-YADHBBJMSA-N 1 1 471.646 3.108 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302043535 1066422458 /nfs/dbraw/zinc/42/24/58/1066422458.db2.gz PMHLSPUIZKBIIE-RBUKOAKNSA-N 1 1 478.037 3.187 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3ccccc3[C@H]2C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302043644 1066423263 /nfs/dbraw/zinc/42/32/63/1066423263.db2.gz WTASTPRKWRUUDZ-XPNTWCBSSA-N 1 1 471.646 3.483 20 0 JGADMO COCCCN(C)c1nnc(-c2cccn2C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001301590104 1066427980 /nfs/dbraw/zinc/42/79/80/1066427980.db2.gz DQHIOKBEVYUQKS-QHCPKHFHSA-N 1 1 452.603 3.138 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302051955 1066438629 /nfs/dbraw/zinc/43/86/29/1066438629.db2.gz ALVJCBPHCPQSEI-HLAWJBBLSA-N 1 1 489.665 3.273 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001302052313 1066439856 /nfs/dbraw/zinc/43/98/56/1066439856.db2.gz CPSBCAWVMOQVBL-FCEUIQTBSA-N 1 1 459.639 3.141 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001302054317 1066447315 /nfs/dbraw/zinc/44/73/15/1066447315.db2.gz PIEZUISNKXLSBC-CQSZACIVSA-N 1 1 458.554 3.258 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(OC)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302056214 1066450915 /nfs/dbraw/zinc/45/09/15/1066450915.db2.gz YFXBUYITNFUWGP-IPVFLDMMSA-N 1 1 471.646 3.454 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001301606721 1066451802 /nfs/dbraw/zinc/45/18/02/1066451802.db2.gz CREYIGVNIWHCQV-MRXNPFEDSA-N 1 1 489.974 3.035 20 0 JGADMO COCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001301607089 1066452845 /nfs/dbraw/zinc/45/28/45/1066452845.db2.gz HWVZNGVWJNOLRL-GBESFXJTSA-N 1 1 473.622 3.296 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001301607349 1066453583 /nfs/dbraw/zinc/45/35/83/1066453583.db2.gz KMPRPNCUIBWTRN-BGYRXZFFSA-N 1 1 452.603 3.384 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC1=CCCOC1 ZINC001302057553 1066455565 /nfs/dbraw/zinc/45/55/65/1066455565.db2.gz YMHZKTDPSCPSBN-VSKRKVRLSA-N 1 1 461.651 3.440 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001301612555 1066460602 /nfs/dbraw/zinc/46/06/02/1066460602.db2.gz DSGIFZGTZAQLNQ-RDGATRHJSA-N 1 1 473.618 3.154 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302063205 1066461306 /nfs/dbraw/zinc/46/13/06/1066461306.db2.gz FJIGOIBMJHSDOW-IBGZPJMESA-N 1 1 481.563 3.084 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001301613030 1066461883 /nfs/dbraw/zinc/46/18/83/1066461883.db2.gz ISNBDZNGQLJLBJ-HSZRJFAPSA-N 1 1 465.614 3.449 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001301613825 1066464035 /nfs/dbraw/zinc/46/40/35/1066464035.db2.gz RRONEBIFTABBOS-HBMCJLEFSA-N 1 1 476.666 3.350 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301614241 1066464520 /nfs/dbraw/zinc/46/45/20/1066464520.db2.gz XTPQIVQGROAFCU-HXUWFJFHSA-N 1 1 464.655 3.350 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001301618119 1066470197 /nfs/dbraw/zinc/47/01/97/1066470197.db2.gz NFTGENAOVKLGAO-NHCUHLMSSA-N 1 1 489.665 3.240 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc2c(c1)CCCO2 ZINC001302068340 1066471883 /nfs/dbraw/zinc/47/18/83/1066471883.db2.gz OUIDLCMBJRHKST-FQEVSTJZSA-N 1 1 457.619 3.296 20 0 JGADMO COCCC[N@@H+](C)CCn1c(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)nnc1C(C)(C)C ZINC001301619083 1066472638 /nfs/dbraw/zinc/47/26/38/1066472638.db2.gz UETOGHOJLHWYHN-UHFFFAOYSA-N 1 1 477.053 3.046 20 0 JGADMO CC(C)(C)c1nnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1CCCNS(C)(=O)=O ZINC001302068937 1066472623 /nfs/dbraw/zinc/47/26/23/1066472623.db2.gz MMTTVNBCWZGTML-UHFFFAOYSA-N 1 1 488.702 3.007 20 0 JGADMO COCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001301628882 1066488649 /nfs/dbraw/zinc/48/86/49/1066488649.db2.gz VRHXJOWTSVLJJS-RBUKOAKNSA-N 1 1 464.010 3.267 20 0 JGADMO COCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301628926 1066488697 /nfs/dbraw/zinc/48/86/97/1066488697.db2.gz WNNOXMJRQWHKHS-INIZCTEOSA-N 1 1 465.440 3.393 20 0 JGADMO COCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001301628884 1066488769 /nfs/dbraw/zinc/48/87/69/1066488769.db2.gz VRHXJOWTSVLJJS-RTBURBONSA-N 1 1 464.010 3.267 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302077439 1066489325 /nfs/dbraw/zinc/48/93/25/1066489325.db2.gz NSFJXZGPOFBZEF-GGAORHGYSA-N 1 1 482.673 3.069 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCn2cc[nH+]c2C)CC1 ZINC001301631481 1066493517 /nfs/dbraw/zinc/49/35/17/1066493517.db2.gz RIKIZVASRMROQL-KRWDZBQOSA-N 1 1 469.565 3.209 20 0 JGADMO COCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001301632277 1066494498 /nfs/dbraw/zinc/49/44/98/1066494498.db2.gz GRXQOWREWZPRFG-GHTZIAJQSA-N 1 1 473.025 3.283 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301635377 1066498699 /nfs/dbraw/zinc/49/86/99/1066498699.db2.gz PFUOOYMQZBHPKI-HXUWFJFHSA-N 1 1 455.651 3.385 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301635406 1066498853 /nfs/dbraw/zinc/49/88/53/1066498853.db2.gz PZRAHXJYGPJYPV-KDURUIRLSA-N 1 1 486.636 3.419 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(c3cccc(C)c3C)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001302083096 1066504247 /nfs/dbraw/zinc/50/42/47/1066504247.db2.gz UJGSRHLWHQGPBG-FYYLOGMGSA-N 1 1 470.662 3.430 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301641406 1066505494 /nfs/dbraw/zinc/50/54/94/1066505494.db2.gz IPQURMCSQWDUPX-HXUWFJFHSA-N 1 1 484.693 3.099 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001302084185 1066507099 /nfs/dbraw/zinc/50/70/99/1066507099.db2.gz YXWYEZLOKQZKMO-YADHBBJMSA-N 1 1 456.635 3.121 20 0 JGADMO COCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001301647642 1066511841 /nfs/dbraw/zinc/51/18/41/1066511841.db2.gz STLBGIFQMCGLOA-ZRZAMGCNSA-N 1 1 454.663 3.209 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302087356 1066512494 /nfs/dbraw/zinc/51/24/94/1066512494.db2.gz FYLOEQSAWSUIRJ-LJQANCHMSA-N 1 1 461.054 3.402 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001302088691 1066514493 /nfs/dbraw/zinc/51/44/93/1066514493.db2.gz FXFWVCYCWOPHGH-RTBURBONSA-N 1 1 492.690 3.105 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CC(F)(F)CO1 ZINC001302088766 1066515135 /nfs/dbraw/zinc/51/51/35/1066515135.db2.gz HDHNIJRMBDQOKF-DYXWJJEUSA-N 1 1 479.572 3.137 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+](C)C(C)C)C1 ZINC001301649698 1066515689 /nfs/dbraw/zinc/51/56/89/1066515689.db2.gz XERFBCFXBHPLFR-UYAOXDASSA-N 1 1 460.598 3.202 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301650692 1066517206 /nfs/dbraw/zinc/51/72/06/1066517206.db2.gz PTFIMNKMTDRUEO-PZJWPPBQSA-N 1 1 489.064 3.404 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccnc3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001301651620 1066518623 /nfs/dbraw/zinc/51/86/23/1066518623.db2.gz WOPCKHKUFKZFHC-OAQYLSRUSA-N 1 1 453.635 3.299 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302093556 1066521731 /nfs/dbraw/zinc/52/17/31/1066521731.db2.gz WLZFPGXEAXULNC-NJYVYQBISA-N 1 1 494.681 3.226 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001301656219 1066525478 /nfs/dbraw/zinc/52/54/78/1066525478.db2.gz ZBULGPLHDCKFGI-JOCHJYFZSA-N 1 1 450.587 3.283 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1sccc1C ZINC001302096159 1066525565 /nfs/dbraw/zinc/52/55/65/1066525565.db2.gz XQRAIQDEVDJFDC-MOPGFXCFSA-N 1 1 463.648 3.110 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccccc1C ZINC001302095694 1066525663 /nfs/dbraw/zinc/52/56/63/1066525663.db2.gz WCGCDUMEQFBSCM-SFTDATJTSA-N 1 1 457.619 3.048 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302096484 1066526913 /nfs/dbraw/zinc/52/69/13/1066526913.db2.gz HLLMWDBDSPJLBE-TYBLODHISA-N 1 1 481.682 3.000 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(CCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301659626 1066528803 /nfs/dbraw/zinc/52/88/03/1066528803.db2.gz FQHVTDJSFHWQSY-WRALFONMSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301660238 1066529822 /nfs/dbraw/zinc/52/98/22/1066529822.db2.gz INHFJUAHXGMBQH-AOHZBQACSA-N 1 1 482.673 3.325 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301660244 1066530068 /nfs/dbraw/zinc/53/00/68/1066530068.db2.gz IZHHSDUYPQSNNV-LJQANCHMSA-N 1 1 489.064 3.452 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301661570 1066532932 /nfs/dbraw/zinc/53/29/32/1066532932.db2.gz SUSJSUDDGPMMPZ-FCHUYYIVSA-N 1 1 482.673 3.435 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301663122 1066535748 /nfs/dbraw/zinc/53/57/48/1066535748.db2.gz ICMBPIMXGMBPKK-AZUAARDMSA-N 1 1 474.600 3.184 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301663365 1066536597 /nfs/dbraw/zinc/53/65/97/1066536597.db2.gz WBCOGEADJMRNAX-RTWAWAEBSA-N 1 1 458.676 3.355 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301667158 1066544752 /nfs/dbraw/zinc/54/47/52/1066544752.db2.gz AZHDMLVZFZXERU-UHFFFAOYSA-N 1 1 476.710 3.358 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCSC3(CCCCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302111819 1066552028 /nfs/dbraw/zinc/55/20/28/1066552028.db2.gz MQYYHRJJKZSDDN-OAQYLSRUSA-N 1 1 494.750 3.284 20 0 JGADMO COCCCOC1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301677367 1066559245 /nfs/dbraw/zinc/55/92/45/1066559245.db2.gz XQLAHLVOMVUMDQ-OAQYLSRUSA-N 1 1 456.635 3.482 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)ccc2NC1=O ZINC001302123837 1066568086 /nfs/dbraw/zinc/56/80/86/1066568086.db2.gz AGCXJRZCRVVHKL-FPOVZHCZSA-N 1 1 456.587 3.211 20 0 JGADMO COCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001301684626 1066568385 /nfs/dbraw/zinc/56/83/85/1066568385.db2.gz MBQMIBNVSXLJFC-INIZCTEOSA-N 1 1 453.429 3.486 20 0 JGADMO CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001301686858 1066571926 /nfs/dbraw/zinc/57/19/26/1066571926.db2.gz NDNHECIBOKCOPO-ZDXQCDESSA-N 1 1 487.737 3.120 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001301691924 1066579180 /nfs/dbraw/zinc/57/91/80/1066579180.db2.gz LLFQQEKVJGPJIK-JOCHJYFZSA-N 1 1 470.662 3.268 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+](C)C(C)C)CC1 ZINC001301693279 1066581888 /nfs/dbraw/zinc/58/18/88/1066581888.db2.gz WNAKOOAGCQBART-UHFFFAOYSA-N 1 1 481.414 3.246 20 0 JGADMO COCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001301700169 1066589226 /nfs/dbraw/zinc/58/92/26/1066589226.db2.gz KUEUFSLJHKBAAK-IBGZPJMESA-N 1 1 473.622 3.249 20 0 JGADMO CC(=O)N1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001301700420 1066589761 /nfs/dbraw/zinc/58/97/61/1066589761.db2.gz ZFPDTWMSGRVQIN-UHFFFAOYSA-N 1 1 456.610 3.331 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001301703199 1066591419 /nfs/dbraw/zinc/59/14/19/1066591419.db2.gz AJRJLOZMVBJVLA-UHFFFAOYSA-N 1 1 454.619 3.099 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301703588 1066591987 /nfs/dbraw/zinc/59/19/87/1066591987.db2.gz FYXYUEQSPQLDHO-UHFFFAOYSA-N 1 1 480.657 3.475 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccccc3F)C[C@H]2C)CC1 ZINC001301707025 1066596898 /nfs/dbraw/zinc/59/68/98/1066596898.db2.gz ANSGDTMJJQSOSK-XMSQKQJNSA-N 1 1 456.610 3.142 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4csc(C)n4)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001301707994 1066599368 /nfs/dbraw/zinc/59/93/68/1066599368.db2.gz GUWULBMJBJKZEQ-JXFKEZNVSA-N 1 1 495.644 3.058 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccnc(C(F)(F)F)c3)C[C@@H]2C)CC1 ZINC001301708172 1066599572 /nfs/dbraw/zinc/59/95/72/1066599572.db2.gz IXURAHHALFKDAG-FXAWDEMLSA-N 1 1 493.578 3.243 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708421 1066600635 /nfs/dbraw/zinc/60/06/35/1066600635.db2.gz MQHOYFKZFGVHLG-IRLDBZIGSA-N 1 1 462.683 3.017 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)N(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001301708338 1066600735 /nfs/dbraw/zinc/60/07/35/1066600735.db2.gz LRIMZIFRAKPRAY-WRALFONMSA-N 1 1 481.689 3.305 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708736 1066602112 /nfs/dbraw/zinc/60/21/12/1066602112.db2.gz PSCSXEGZXYVYQH-GGAORHGYSA-N 1 1 462.683 3.233 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(F)c3)C[C@H]2C)CC1 ZINC001301709356 1066602690 /nfs/dbraw/zinc/60/26/90/1066602690.db2.gz UDPPRMWERCTHST-XMSQKQJNSA-N 1 1 456.610 3.142 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCOc3c(C)cccc3C)C[C@@H]2C)CC1 ZINC001301710127 1066604097 /nfs/dbraw/zinc/60/40/97/1066604097.db2.gz XEBGOHMAAZXXKX-UPVQGACJSA-N 1 1 482.673 3.476 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001301710160 1066604138 /nfs/dbraw/zinc/60/41/38/1066604138.db2.gz DFVJRSXYHZEBBH-GGAORHGYSA-N 1 1 484.645 3.121 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CSCCS3)C[C@@H]2C)CC1 ZINC001301710557 1066604861 /nfs/dbraw/zinc/60/48/61/1066604861.db2.gz ZGXLSKYVUFIHRL-CEWLAPEOSA-N 1 1 494.775 3.094 20 0 JGADMO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301710725 1066605459 /nfs/dbraw/zinc/60/54/59/1066605459.db2.gz ACOIJYZGXWYNRB-FQEVSTJZSA-N 1 1 495.672 3.328 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001301713283 1066611105 /nfs/dbraw/zinc/61/11/05/1066611105.db2.gz KCVURFPJKLUTMX-LJQANCHMSA-N 1 1 488.702 3.301 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC001301713649 1066612898 /nfs/dbraw/zinc/61/28/98/1066612898.db2.gz HZYSWBAEVGVVER-BZSNNMDCSA-N 1 1 458.582 3.097 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)[C@H](C)C1 ZINC001301713851 1066614108 /nfs/dbraw/zinc/61/41/08/1066614108.db2.gz HZYSWBAEVGVVER-KURKYZTESA-N 1 1 458.582 3.097 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001301714030 1066614992 /nfs/dbraw/zinc/61/49/92/1066614992.db2.gz QUADCOKTYDGCPM-UHFFFAOYSA-N 1 1 497.427 3.299 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCOC1 ZINC001301714742 1066616585 /nfs/dbraw/zinc/61/65/85/1066616585.db2.gz XEGBGLVTAJJEIV-INIZCTEOSA-N 1 1 470.387 3.040 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001301715466 1066617276 /nfs/dbraw/zinc/61/72/76/1066617276.db2.gz FTJQWQVGSAEZGF-FQEVSTJZSA-N 1 1 450.587 3.404 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001301715059 1066617295 /nfs/dbraw/zinc/61/72/95/1066617295.db2.gz AUTBQYAKMNSNPN-UHFFFAOYSA-N 1 1 487.649 3.192 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001301715413 1066617319 /nfs/dbraw/zinc/61/73/19/1066617319.db2.gz FEEVZASPKBYUMC-UHFFFAOYSA-N 1 1 488.011 3.428 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCCN(c2nccs2)CC1 ZINC001301716005 1066617962 /nfs/dbraw/zinc/61/79/62/1066617962.db2.gz IJAKRTUWTQBBPU-UHFFFAOYSA-N 1 1 455.632 3.087 20 0 JGADMO CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@]4(C)C[N@@H+](C)C[C@]4(C)C3)cc2)cc1 ZINC001301715694 1066618052 /nfs/dbraw/zinc/61/80/52/1066618052.db2.gz FGZHGILJTOKSKJ-PSWAGMNNSA-N 1 1 457.596 3.300 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001301717200 1066619446 /nfs/dbraw/zinc/61/94/46/1066619446.db2.gz OMPOPBAPNJAGDP-DVECYGJZSA-N 1 1 478.037 3.341 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@@H](SC)C1 ZINC001301718511 1066620588 /nfs/dbraw/zinc/62/05/88/1066620588.db2.gz GRRDZMAOYAQRQP-GOSISDBHSA-N 1 1 485.658 3.284 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001301718518 1066620698 /nfs/dbraw/zinc/62/06/98/1066620698.db2.gz GWGVPESVBNYGRL-DEOSSOPVSA-N 1 1 463.573 3.122 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@H](SC)C1 ZINC001301718512 1066620743 /nfs/dbraw/zinc/62/07/43/1066620743.db2.gz GRRDZMAOYAQRQP-SFHVURJKSA-N 1 1 485.658 3.284 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001301718476 1066620788 /nfs/dbraw/zinc/62/07/88/1066620788.db2.gz GFBUVDCGVGVTQJ-PXNSSMCTSA-N 1 1 465.545 3.240 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001301718477 1066620880 /nfs/dbraw/zinc/62/08/80/1066620880.db2.gz GFBUVDCGVGVTQJ-XLIONFOSSA-N 1 1 465.545 3.240 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001301718856 1066621374 /nfs/dbraw/zinc/62/13/74/1066621374.db2.gz KAIAWAIAFPUFQW-LJQANCHMSA-N 1 1 481.645 3.033 20 0 JGADMO COCC[N@@H+](C)CCCn1c(CC2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001301720244 1066622526 /nfs/dbraw/zinc/62/25/26/1066622526.db2.gz CAELBQGUAKBYHD-UHFFFAOYSA-N 1 1 469.556 3.215 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001301721063 1066626280 /nfs/dbraw/zinc/62/62/80/1066626280.db2.gz FPOAYWHMGWBPGF-HUUCEWRRSA-N 1 1 470.387 3.039 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301724609 1066637136 /nfs/dbraw/zinc/63/71/36/1066637136.db2.gz IQARSNARINOSHU-UHFFFAOYSA-N 1 1 493.837 3.291 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001301725298 1066639063 /nfs/dbraw/zinc/63/90/63/1066639063.db2.gz CAWHHJCQNSENEB-DENIHFKCSA-N 1 1 459.635 3.061 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001302170753 1066640263 /nfs/dbraw/zinc/64/02/63/1066640263.db2.gz FFWPPVAEMUMCOZ-QHAWAJNXSA-N 1 1 456.635 3.338 20 0 JGADMO COCCOC1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001302171613 1066641058 /nfs/dbraw/zinc/64/10/58/1066641058.db2.gz LKMLJAQFTOAZON-HXUWFJFHSA-N 1 1 458.651 3.426 20 0 JGADMO COCCOC1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001302171612 1066641135 /nfs/dbraw/zinc/64/11/35/1066641135.db2.gz LKMLJAQFTOAZON-FQEVSTJZSA-N 1 1 458.651 3.426 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001301725884 1066641559 /nfs/dbraw/zinc/64/15/59/1066641559.db2.gz JXGFJFYVZKVEMD-UHFFFAOYSA-N 1 1 488.702 3.301 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1nccs1 ZINC001301725913 1066641679 /nfs/dbraw/zinc/64/16/79/1066641679.db2.gz KHHCPICZZTVNDS-UHFFFAOYSA-N 1 1 471.450 3.440 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001301726461 1066642961 /nfs/dbraw/zinc/64/29/61/1066642961.db2.gz SQYCXOBAGLJJHC-HNNXBMFYSA-N 1 1 454.438 3.228 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001301726733 1066643743 /nfs/dbraw/zinc/64/37/43/1066643743.db2.gz YCMIVZBWPMHQAF-HUUCEWRRSA-N 1 1 481.464 3.310 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)C1 ZINC001301727007 1066644456 /nfs/dbraw/zinc/64/44/56/1066644456.db2.gz YSBMERQUFKJXKB-OAHLLOKOSA-N 1 1 452.397 3.141 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301727650 1066645876 /nfs/dbraw/zinc/64/58/76/1066645876.db2.gz IJEUBPGWOGLAKT-GOSISDBHSA-N 1 1 494.040 3.065 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC[C@H](C)C1 ZINC001301729076 1066647846 /nfs/dbraw/zinc/64/78/46/1066647846.db2.gz DIDJVSOUVWQNEQ-FQEVSTJZSA-N 1 1 481.645 3.441 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC001301730442 1066649253 /nfs/dbraw/zinc/64/92/53/1066649253.db2.gz KPLCAAVBKRQCKH-HSALFYBXSA-N 1 1 453.635 3.154 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301730823 1066650025 /nfs/dbraw/zinc/65/00/25/1066650025.db2.gz ZEJPKNIMVHMSES-HXUWFJFHSA-N 1 1 487.649 3.062 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001302176443 1066651175 /nfs/dbraw/zinc/65/11/75/1066651175.db2.gz OMHGOYHCYDCXAL-KRWDZBQOSA-N 1 1 461.680 3.365 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001301732886 1066652552 /nfs/dbraw/zinc/65/25/52/1066652552.db2.gz WSBRGYGGXNKLIN-CTNGQTDRSA-N 1 1 476.666 3.350 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001301733163 1066653308 /nfs/dbraw/zinc/65/33/08/1066653308.db2.gz FMBLXOLKIIZGSN-UHFFFAOYSA-N 1 1 459.635 3.067 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2cccc(Br)c2C1 ZINC001301733338 1066653910 /nfs/dbraw/zinc/65/39/10/1066653910.db2.gz XUOAQTXOVHKEGI-FQEVSTJZSA-N 1 1 478.435 3.423 20 0 JGADMO COCC[N@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001301736088 1066658047 /nfs/dbraw/zinc/65/80/47/1066658047.db2.gz HUTQVNFEGXMLJK-NRFANRHFSA-N 1 1 458.676 3.132 20 0 JGADMO COCC[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001301736088 1066658050 /nfs/dbraw/zinc/65/80/50/1066658050.db2.gz HUTQVNFEGXMLJK-NRFANRHFSA-N 1 1 458.676 3.132 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001301736297 1066658779 /nfs/dbraw/zinc/65/87/79/1066658779.db2.gz JXOAAJZTXRSGGB-OAQYLSRUSA-N 1 1 459.591 3.226 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001301740373 1066661257 /nfs/dbraw/zinc/66/12/57/1066661257.db2.gz JJTFKBMRLDJRKO-BRSBDYLESA-N 1 1 461.573 3.410 20 0 JGADMO COCCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CC[C@H](C)C1 ZINC001301740339 1066661279 /nfs/dbraw/zinc/66/12/79/1066661279.db2.gz BMVIZUIUOADJIW-ACRUOGEOSA-N 1 1 460.667 3.276 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001301741238 1066662545 /nfs/dbraw/zinc/66/25/45/1066662545.db2.gz PYLMISCDXMVYCL-BHDDXSALSA-N 1 1 473.666 3.121 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCN([C@H](C)c3cccc(OC)c3)CC2)nnc1C(C)(C)C ZINC001301742096 1066664394 /nfs/dbraw/zinc/66/43/94/1066664394.db2.gz VJXZWCCCNQECEW-HXUWFJFHSA-N 1 1 458.651 3.046 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC001301743087 1066666186 /nfs/dbraw/zinc/66/61/86/1066666186.db2.gz PEKJSPSMRGEBRL-OTWHNJEPSA-N 1 1 487.718 3.447 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001301743147 1066667005 /nfs/dbraw/zinc/66/70/05/1066667005.db2.gz QHRKITDCLNCNNS-UHFFFAOYSA-N 1 1 456.610 3.331 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC001301744223 1066668652 /nfs/dbraw/zinc/66/86/52/1066668652.db2.gz JUCHZFMBDMTSDR-VXKWHMMOSA-N 1 1 452.647 3.499 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 ZINC001302192779 1066677564 /nfs/dbraw/zinc/67/75/64/1066677564.db2.gz KNLWHGZBHQCIQM-UHFFFAOYSA-N 1 1 468.067 3.125 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCOCC2)CC1 ZINC001302194903 1066682899 /nfs/dbraw/zinc/68/28/99/1066682899.db2.gz KEEVFMMKUYKMRB-UHFFFAOYSA-N 1 1 479.572 3.399 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001302196032 1066685894 /nfs/dbraw/zinc/68/58/94/1066685894.db2.gz YMWFPLWUAJJXTR-UHFFFAOYSA-N 1 1 482.654 3.244 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCCOC2CCOCC2)CC1 ZINC001302199389 1066691558 /nfs/dbraw/zinc/69/15/58/1066691558.db2.gz CKGVJUZKQVGLDK-UHFFFAOYSA-N 1 1 456.635 3.160 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC001301758399 1066694131 /nfs/dbraw/zinc/69/41/31/1066694131.db2.gz HYINLAGDFYBTNF-OAQYLSRUSA-N 1 1 456.635 3.261 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cccs2)CC1 ZINC001302200554 1066694283 /nfs/dbraw/zinc/69/42/83/1066694283.db2.gz ONWZJJXIENIMDC-UHFFFAOYSA-N 1 1 467.643 3.066 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3cccnc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001302200939 1066695417 /nfs/dbraw/zinc/69/54/17/1066695417.db2.gz UQQMAHHOOHXRTF-UHFFFAOYSA-N 1 1 467.662 3.414 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)F)CC1 ZINC001302201095 1066695990 /nfs/dbraw/zinc/69/59/90/1066695990.db2.gz WWTSNBANCNGMGV-UHFFFAOYSA-N 1 1 470.590 3.210 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3cccnc3)n2CC(=O)NC2CCCCC2)CC1 ZINC001302201182 1066696087 /nfs/dbraw/zinc/69/60/87/1066696087.db2.gz ZFFQNVGGSNFPRK-UHFFFAOYSA-N 1 1 453.635 3.023 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2CC(=O)NCc2ccco2)CC1 ZINC001302201107 1066696125 /nfs/dbraw/zinc/69/61/25/1066696125.db2.gz XFDPWTZGIKRWEP-UHFFFAOYSA-N 1 1 464.614 3.283 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCOc3cccc(F)c3)C[C@@H]2C)CC1 ZINC001301762485 1066701507 /nfs/dbraw/zinc/70/15/07/1066701507.db2.gz BRGAXPPGGPVSCZ-WMZHIEFXSA-N 1 1 486.636 3.074 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3nc(C(C)C)cs3)C[C@@H]2C)CC1 ZINC001301763494 1066703182 /nfs/dbraw/zinc/70/31/82/1066703182.db2.gz GLCTZUJUYHDKIT-FXAWDEMLSA-N 1 1 459.664 3.019 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCc3cccc(F)c3F)C[C@H]2C)CC1 ZINC001301764458 1066704736 /nfs/dbraw/zinc/70/47/36/1066704736.db2.gz JQUMTPWUCLYJGT-GCJKJVERSA-N 1 1 488.627 3.376 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CCC(C)C)C[C@H]2C)CC1 ZINC001301764112 1066704851 /nfs/dbraw/zinc/70/48/51/1066704851.db2.gz ILDSVOOMJVPSJK-UZLBHIALSA-N 1 1 492.466 3.071 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCc3ccc(F)cc3C)C[C@@H]2C)CC1 ZINC001301764810 1066705948 /nfs/dbraw/zinc/70/59/48/1066705948.db2.gz LBWDKBUIRWPAOU-CVDCTZTESA-N 1 1 456.610 3.081 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3ccccc3)C[C@@H]2C)CC1 ZINC001301765947 1066707199 /nfs/dbraw/zinc/70/71/99/1066707199.db2.gz NQCQWPCOKRYHCI-URXFXBBRSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001301766064 1066707231 /nfs/dbraw/zinc/70/72/31/1066707231.db2.gz BLPRLQSMDOGEIO-XLIONFOSSA-N 1 1 460.026 3.173 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3ccccc3)C[C@@H]2C)CC1 ZINC001301765948 1066707252 /nfs/dbraw/zinc/70/72/52/1066707252.db2.gz NQCQWPCOKRYHCI-XUZZJYLKSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCCO[C@@H]3C(C)(C)C)C[C@@H]2C)CC1 ZINC001301767159 1066708475 /nfs/dbraw/zinc/70/84/75/1066708475.db2.gz PMMDCBNKMLTBEH-ITAIVJFTSA-N 1 1 488.721 3.307 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC(F)(F)C3)C[C@H]2C)CC1 ZINC001301767562 1066709721 /nfs/dbraw/zinc/70/97/21/1066709721.db2.gz QVHRZOXHLNISBP-YZGWKJHDSA-N 1 1 466.621 3.291 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCSCC(F)(F)F)C[C@H]2C)CC1 ZINC001301767508 1066709857 /nfs/dbraw/zinc/70/98/57/1066709857.db2.gz QKEYWMOBAGWKKP-SJLPKXTDSA-N 1 1 490.640 3.151 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccccc3C)C[C@H]2C)CC1 ZINC001301767817 1066710428 /nfs/dbraw/zinc/71/04/28/1066710428.db2.gz RNCPJPMFWBVXOM-NFBKMPQASA-N 1 1 452.647 3.116 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccccc4F)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301768223 1066711019 /nfs/dbraw/zinc/71/10/19/1066711019.db2.gz ULQBCSBRWAJELL-DYESRHJHSA-N 1 1 496.553 3.339 20 0 JGADMO CC(C)=CCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301768344 1066711189 /nfs/dbraw/zinc/71/11/89/1066711189.db2.gz UTTNCLIJYHTGGR-NZQKXSOJSA-N 1 1 484.620 3.341 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3c(C)cc(C)cc3C)C[C@@H]2C)CC1 ZINC001301768595 1066711791 /nfs/dbraw/zinc/71/17/91/1066711791.db2.gz XPMLKUYREXJDOB-URXFXBBRSA-N 1 1 452.647 3.364 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccccc4C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301768606 1066711868 /nfs/dbraw/zinc/71/18/68/1066711868.db2.gz XQERNBOYQXITHS-BVAGGSTKSA-N 1 1 496.700 3.229 20 0 JGADMO COCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001302220216 1066724257 /nfs/dbraw/zinc/72/42/57/1066724257.db2.gz MOTWNEDFBSFZDV-DLBZAZTESA-N 1 1 494.434 3.052 20 0 JGADMO COCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001302220217 1066724265 /nfs/dbraw/zinc/72/42/65/1066724265.db2.gz MOTWNEDFBSFZDV-IAGOWNOFSA-N 1 1 494.434 3.052 20 0 JGADMO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)cc1 ZINC001301801327 1066752733 /nfs/dbraw/zinc/75/27/33/1066752733.db2.gz DOLRQACOEQYVLR-HSZRJFAPSA-N 1 1 457.596 3.132 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001301802520 1066753632 /nfs/dbraw/zinc/75/36/32/1066753632.db2.gz HVPBYCADQANCFU-PBPGXSGUSA-N 1 1 493.027 3.342 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001301802520 1066753640 /nfs/dbraw/zinc/75/36/40/1066753640.db2.gz HVPBYCADQANCFU-PBPGXSGUSA-N 1 1 493.027 3.342 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CCCCn2cc[nH+]c2C)CC1 ZINC001301807181 1066760052 /nfs/dbraw/zinc/76/00/52/1066760052.db2.gz HOWIZUPNBYHHKD-UHFFFAOYSA-N 1 1 481.649 3.009 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301808869 1066763637 /nfs/dbraw/zinc/76/36/37/1066763637.db2.gz RTDFXFFWQQPYDB-JABWIYMSSA-N 1 1 460.667 3.320 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001302241914 1066767945 /nfs/dbraw/zinc/76/79/45/1066767945.db2.gz CUMSVXZAUBAQDC-CZYKHXBRSA-N 1 1 463.667 3.233 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301812932 1066768059 /nfs/dbraw/zinc/76/80/59/1066768059.db2.gz IIZZRZPRZODDEB-WYZYGFAWSA-N 1 1 460.667 3.381 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001301817630 1066776347 /nfs/dbraw/zinc/77/63/47/1066776347.db2.gz FVISHZZONJZRQX-OAQYLSRUSA-N 1 1 485.995 3.370 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301818471 1066778494 /nfs/dbraw/zinc/77/84/94/1066778494.db2.gz MNDPDMUFGNSVLD-CRAIPNDOSA-N 1 1 481.428 3.078 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302247888 1066779007 /nfs/dbraw/zinc/77/90/07/1066779007.db2.gz HUHYGEGJLQIPIC-CFFRYYMNSA-N 1 1 473.666 3.109 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001302249753 1066784435 /nfs/dbraw/zinc/78/44/35/1066784435.db2.gz HKFXDPQWVFMRPD-LIRXAKOGSA-N 1 1 489.686 3.108 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301826326 1066790285 /nfs/dbraw/zinc/79/02/85/1066790285.db2.gz YGBYYAFSQXJYAP-WOIUINJBSA-N 1 1 475.037 3.233 20 0 JGADMO COCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001301827397 1066792389 /nfs/dbraw/zinc/79/23/89/1066792389.db2.gz HFTKJFZNSLWCRR-CALCHBBNSA-N 1 1 497.507 3.410 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302253343 1066793464 /nfs/dbraw/zinc/79/34/64/1066793464.db2.gz WUKKQHKDSFLQCV-HXUWFJFHSA-N 1 1 476.666 3.225 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302253343 1066793478 /nfs/dbraw/zinc/79/34/78/1066793478.db2.gz WUKKQHKDSFLQCV-HXUWFJFHSA-N 1 1 476.666 3.225 20 0 JGADMO CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001302255714 1066799004 /nfs/dbraw/zinc/79/90/04/1066799004.db2.gz GYMXUKHOEZNEEI-UHFFFAOYSA-N 1 1 499.660 3.192 20 0 JGADMO CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001302255714 1066799009 /nfs/dbraw/zinc/79/90/09/1066799009.db2.gz GYMXUKHOEZNEEI-UHFFFAOYSA-N 1 1 499.660 3.192 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301837021 1066808979 /nfs/dbraw/zinc/80/89/79/1066808979.db2.gz XDSBVLQKTUMKEJ-INIZCTEOSA-N 1 1 492.466 3.405 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301844125 1066816516 /nfs/dbraw/zinc/81/65/16/1066816516.db2.gz FHCILGWWPQDVLT-KDURUIRLSA-N 1 1 489.064 3.127 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301843868 1066816551 /nfs/dbraw/zinc/81/65/51/1066816551.db2.gz CGCDYFKUPVZXRQ-FQEVSTJZSA-N 1 1 473.691 3.107 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301844212 1066816948 /nfs/dbraw/zinc/81/69/48/1066816948.db2.gz GVRWUCGYRLEPSS-HXUWFJFHSA-N 1 1 456.610 3.233 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301846335 1066820056 /nfs/dbraw/zinc/82/00/56/1066820056.db2.gz GAYLXBOMWKCOIA-FQEVSTJZSA-N 1 1 454.619 3.002 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001301847232 1066821203 /nfs/dbraw/zinc/82/12/03/1066821203.db2.gz MVLZMMGBVGTMDR-FQEVSTJZSA-N 1 1 454.619 3.063 20 0 JGADMO COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001301847113 1066821271 /nfs/dbraw/zinc/82/12/71/1066821271.db2.gz DSACCJYUCFZRDQ-FGZHOGPDSA-N 1 1 457.619 3.044 20 0 JGADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2c(C)[nH]c(=O)[nH]c2=S)cc1 ZINC001302268426 1066826472 /nfs/dbraw/zinc/82/64/72/1066826472.db2.gz DCHZZZCLNRWVRF-VQTJNVASSA-N 1 1 450.564 3.186 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCC3(O)CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC001302270840 1066829106 /nfs/dbraw/zinc/82/91/06/1066829106.db2.gz WXLXOEICUODSMM-SZPZYZBQSA-N 1 1 451.611 3.447 20 0 JGADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCC3(O)CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC001302270840 1066829111 /nfs/dbraw/zinc/82/91/11/1066829111.db2.gz WXLXOEICUODSMM-SZPZYZBQSA-N 1 1 451.611 3.447 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302274248 1066835966 /nfs/dbraw/zinc/83/59/66/1066835966.db2.gz USEUVEWNEOCQPV-YHDCXSKOSA-N 1 1 489.583 3.279 20 0 JGADMO CC(C)(C)OC(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302274796 1066837857 /nfs/dbraw/zinc/83/78/57/1066837857.db2.gz GWIBDGWVEJATOQ-SFHVURJKSA-N 1 1 450.628 3.355 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301864659 1066854297 /nfs/dbraw/zinc/85/42/97/1066854297.db2.gz LDXQMGGGTLOOHW-MQFRRQCYSA-N 1 1 460.667 3.240 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301866053 1066856750 /nfs/dbraw/zinc/85/67/50/1066856750.db2.gz JMPQUQMGDWIWEA-ZDXQCDESSA-N 1 1 482.673 3.029 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H](C)SC ZINC001302285918 1066856892 /nfs/dbraw/zinc/85/68/92/1066856892.db2.gz BDHXXHKOMBDYCL-ZDFPQIBNSA-N 1 1 459.660 3.464 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301870810 1066863481 /nfs/dbraw/zinc/86/34/81/1066863481.db2.gz BIZLLSURMZDDNC-UPVQGACJSA-N 1 1 498.672 3.019 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001301871630 1066865431 /nfs/dbraw/zinc/86/54/31/1066865431.db2.gz HKQLQWIHWHGRDY-JTHBVZDNSA-N 1 1 468.646 3.311 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301872806 1066869460 /nfs/dbraw/zinc/86/94/60/1066869460.db2.gz OYBJKNOUYVJHTD-ZEQRLZLVSA-N 1 1 482.673 3.373 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC001301874327 1066874792 /nfs/dbraw/zinc/87/47/92/1066874792.db2.gz JAKOWOWSVVVSQM-UHFFFAOYSA-N 1 1 459.635 3.339 20 0 JGADMO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301875143 1066876329 /nfs/dbraw/zinc/87/63/29/1066876329.db2.gz RZRODVKNQFHNCK-OFNKIYASSA-N 1 1 497.688 3.036 20 0 JGADMO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301875145 1066876631 /nfs/dbraw/zinc/87/66/31/1066876631.db2.gz RZRODVKNQFHNCK-REWPJTCUSA-N 1 1 497.688 3.036 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@@H]1C ZINC001301875322 1066876703 /nfs/dbraw/zinc/87/67/03/1066876703.db2.gz SZSOWWTVVKKDBZ-QNWVGRARSA-N 1 1 484.645 3.119 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@@H]1C ZINC001301875322 1066876713 /nfs/dbraw/zinc/87/67/13/1066876713.db2.gz SZSOWWTVVKKDBZ-QNWVGRARSA-N 1 1 484.645 3.119 20 0 JGADMO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301876328 1066877396 /nfs/dbraw/zinc/87/73/96/1066877396.db2.gz ZXWBPRNWKOTNGN-QHCPKHFHSA-N 1 1 497.688 3.036 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)C2CC2)CC1 ZINC001301876643 1066878011 /nfs/dbraw/zinc/87/80/11/1066878011.db2.gz GIEOYDHQMGLXIP-HXOBKFHXSA-N 1 1 464.010 3.001 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CCCCC2)CC1 ZINC001301876720 1066878182 /nfs/dbraw/zinc/87/81/82/1066878182.db2.gz GTJWQPAAGQZSDB-QFIPXVFZSA-N 1 1 471.646 3.499 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001301876379 1066878265 /nfs/dbraw/zinc/87/82/65/1066878265.db2.gz UZSLEUPSAUCRPT-LJQANCHMSA-N 1 1 457.623 3.137 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(F)(F)Br)CC1 ZINC001301877881 1066880222 /nfs/dbraw/zinc/88/02/22/1066880222.db2.gz RTFOICXPORCOKD-CQSZACIVSA-N 1 1 492.340 3.313 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001301879261 1066883400 /nfs/dbraw/zinc/88/34/00/1066883400.db2.gz BRUNAWDCAGAJBT-FQEVSTJZSA-N 1 1 482.673 3.316 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCCCC2)C[C@@H]1C ZINC001301881111 1066887324 /nfs/dbraw/zinc/88/73/24/1066887324.db2.gz CBIPZJTXUMHYJR-FQEVSTJZSA-N 1 1 487.645 3.205 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC001301881334 1066887934 /nfs/dbraw/zinc/88/79/34/1066887934.db2.gz DIJJKDBJDTWBPV-AUMHUTNHSA-N 1 1 468.067 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC001301881334 1066887941 /nfs/dbraw/zinc/88/79/41/1066887941.db2.gz DIJJKDBJDTWBPV-AUMHUTNHSA-N 1 1 468.067 3.303 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2OCCC2(C)C)CC1 ZINC001301882000 1066889073 /nfs/dbraw/zinc/88/90/73/1066889073.db2.gz KERXTZPWTZVJEZ-LJQANCHMSA-N 1 1 496.425 3.430 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cc(F)cc(F)c2)CC1 ZINC001301882016 1066889273 /nfs/dbraw/zinc/88/92/73/1066889273.db2.gz KIJADBFMJINTFM-UHFFFAOYSA-N 1 1 495.372 3.325 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)Oc1cccc(OC)c1 ZINC001302303167 1066889744 /nfs/dbraw/zinc/88/97/44/1066889744.db2.gz AGWYGESIVJZNQF-HFMPRLQTSA-N 1 1 487.645 3.399 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(C)s2)CC1 ZINC001301882629 1066890529 /nfs/dbraw/zinc/89/05/29/1066890529.db2.gz QJCAENHMLRTEDD-UHFFFAOYSA-N 1 1 487.626 3.158 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCO[C@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302303766 1066891100 /nfs/dbraw/zinc/89/11/00/1066891100.db2.gz LLAWYNFITTWDOF-TWGBQZSLSA-N 1 1 463.667 3.374 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccc2F)CC1 ZINC001301882775 1066891093 /nfs/dbraw/zinc/89/10/93/1066891093.db2.gz TZUZHKHFMWAUNL-UHFFFAOYSA-N 1 1 477.382 3.186 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCCCC2)CC1 ZINC001301885316 1066894084 /nfs/dbraw/zinc/89/40/84/1066894084.db2.gz IUBIIBKPVQOQKO-UHFFFAOYSA-N 1 1 478.435 3.171 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(SC)c2)C[C@H]1C ZINC001301885648 1066894747 /nfs/dbraw/zinc/89/47/47/1066894747.db2.gz LCDJNLOXVVEONT-GOSISDBHSA-N 1 1 468.627 3.276 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2occc2C)CC1 ZINC001301885653 1066894801 /nfs/dbraw/zinc/89/48/01/1066894801.db2.gz LHGWVGLDFNMHNI-UHFFFAOYSA-N 1 1 466.405 3.487 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001301885661 1066894950 /nfs/dbraw/zinc/89/49/50/1066894950.db2.gz LLXKDLIAMZMRCF-GOSISDBHSA-N 1 1 498.516 3.325 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001301886150 1066895856 /nfs/dbraw/zinc/89/58/56/1066895856.db2.gz FZROFURMQMCIRN-QGZVFWFLSA-N 1 1 459.038 3.358 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001301887016 1066899186 /nfs/dbraw/zinc/89/91/86/1066899186.db2.gz FYSDCMNKRURJNC-HZPDHXFCSA-N 1 1 455.434 3.359 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301887134 1066899452 /nfs/dbraw/zinc/89/94/52/1066899452.db2.gz NTGRMHFEHRYGMB-YKSBVNFPSA-N 1 1 468.646 3.393 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NC2CCCCC2)CC1 ZINC001301887042 1066899509 /nfs/dbraw/zinc/89/95/09/1066899509.db2.gz CTIHROVKXXPGEM-UHFFFAOYSA-N 1 1 482.673 3.460 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccnc2OCC(F)F)C[C@H]1C ZINC001301887087 1066899658 /nfs/dbraw/zinc/89/96/58/1066899658.db2.gz FRKWSEKONGWDEG-MRXNPFEDSA-N 1 1 476.528 3.091 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001301887289 1066900113 /nfs/dbraw/zinc/90/01/13/1066900113.db2.gz ICIDJHWMLRLXMV-OPAMFIHVSA-N 1 1 486.444 3.196 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001301887463 1066900773 /nfs/dbraw/zinc/90/07/73/1066900773.db2.gz HNLOINHVBVGDQC-KRWDZBQOSA-N 1 1 456.978 3.207 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)C)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001302309001 1066901059 /nfs/dbraw/zinc/90/10/59/1066901059.db2.gz QMRHAQFNBQNCTM-VJBWXMMDSA-N 1 1 462.683 3.187 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)C)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001302309001 1066901068 /nfs/dbraw/zinc/90/10/68/1066901068.db2.gz QMRHAQFNBQNCTM-VJBWXMMDSA-N 1 1 462.683 3.187 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@](C)(O)C(C)C ZINC001302309004 1066901106 /nfs/dbraw/zinc/90/11/06/1066901106.db2.gz QPIFNRMOZGDDOZ-OEEHMVQOSA-N 1 1 477.675 3.354 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(OC)CCOC2)C[C@@H]1C ZINC001301887772 1066901466 /nfs/dbraw/zinc/90/14/66/1066901466.db2.gz KZKPVOIHZFGRMA-AOMKIAJQSA-N 1 1 484.428 3.214 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)c3ccccc3C2)n1CCC[N@@H+](C)C(C)C ZINC001302309094 1066901477 /nfs/dbraw/zinc/90/14/77/1066901477.db2.gz RJTGWQJQKHIMIM-GMAHTHKFSA-N 1 1 456.635 3.189 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001301888089 1066902643 /nfs/dbraw/zinc/90/26/43/1066902643.db2.gz LWQMFSFETUGQCI-MZNJEOGPSA-N 1 1 488.995 3.197 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001301888196 1066903086 /nfs/dbraw/zinc/90/30/86/1066903086.db2.gz OATNGHAVIIIQLU-OXQOHEQNSA-N 1 1 496.425 3.430 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](COC)OC)C[C@@H]1C ZINC001301888441 1066903780 /nfs/dbraw/zinc/90/37/80/1066903780.db2.gz PEULBHDPRZEXIU-RDJZCZTQSA-N 1 1 472.417 3.070 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001301888425 1066904235 /nfs/dbraw/zinc/90/42/35/1066904235.db2.gz ONAGEYFVBIGFTF-MRXNPFEDSA-N 1 1 460.966 3.131 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCSC ZINC001302310974 1066904477 /nfs/dbraw/zinc/90/44/77/1066904477.db2.gz GWBVVNKMAOWQCM-OALUTQOASA-N 1 1 451.662 3.139 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001301889164 1066906283 /nfs/dbraw/zinc/90/62/83/1066906283.db2.gz VZIZRMNJDMPXFR-UHFFFAOYSA-N 1 1 477.396 3.494 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(N(C)C)c2)C[C@@H]1C ZINC001301889270 1066906816 /nfs/dbraw/zinc/90/68/16/1066906816.db2.gz YXYYOFKVRNRFRE-SFHVURJKSA-N 1 1 470.021 3.265 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2c(C)noc2C)CC1 ZINC001301889333 1066907184 /nfs/dbraw/zinc/90/71/84/1066907184.db2.gz ZZJCEFWAQSRJLU-UHFFFAOYSA-N 1 1 462.957 3.354 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSCC(C)C)C[C@@H]1C ZINC001301889582 1066907932 /nfs/dbraw/zinc/90/79/32/1066907932.db2.gz BZPLMTRRUVHJHQ-SFHVURJKSA-N 1 1 461.632 3.220 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2cccc(C)n2)C[C@@H]1C ZINC001301889559 1066907947 /nfs/dbraw/zinc/90/79/47/1066907947.db2.gz BGSXTFGAHISTSI-FQEVSTJZSA-N 1 1 480.613 3.065 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@@](C)(O)C(C)C)C[C@H]1C ZINC001301889815 1066909060 /nfs/dbraw/zinc/90/90/60/1066909060.db2.gz CZIKEZOFGHFCSK-KBMIEXCESA-N 1 1 452.603 3.057 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)c2cccs2)C[C@H]1C ZINC001301890092 1066909672 /nfs/dbraw/zinc/90/96/72/1066909672.db2.gz GTKJTWDWQFEHBV-HOYKHHGWSA-N 1 1 471.627 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001301890917 1066910775 /nfs/dbraw/zinc/91/07/75/1066910775.db2.gz MGPOTSMWZXQNTL-PMACEKPBSA-N 1 1 472.634 3.263 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301891885 1066912822 /nfs/dbraw/zinc/91/28/22/1066912822.db2.gz RQKQHWNJSXEJER-FGZHOGPDSA-N 1 1 470.662 3.233 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302315759 1066913108 /nfs/dbraw/zinc/91/31/08/1066913108.db2.gz NNAJJKNHWZZFJJ-OYSWMMLKSA-N 1 1 493.693 3.000 20 0 JGADMO CC(C)(C)S(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001302316432 1066913831 /nfs/dbraw/zinc/91/38/31/1066913831.db2.gz SCUJBTHUWLEBJY-UHFFFAOYSA-N 1 1 463.623 3.362 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](OC)C2CC2)C[C@@H]1C ZINC001301892899 1066913863 /nfs/dbraw/zinc/91/38/63/1066913863.db2.gz XCFFMJDGBOTEBI-OXJNMPFZSA-N 1 1 478.435 3.290 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)C2CC2)C[C@H]1C ZINC001301892904 1066914365 /nfs/dbraw/zinc/91/43/65/1066914365.db2.gz XCFFMJDGBOTEBI-UZLBHIALSA-N 1 1 478.435 3.290 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)COC)C[C@H]1C ZINC001301893064 1066914748 /nfs/dbraw/zinc/91/47/48/1066914748.db2.gz ZYLIOCVMZCGDBI-LJQANCHMSA-N 1 1 452.603 3.323 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(CSC)cc2)C[C@@H]1C ZINC001301895141 1066915788 /nfs/dbraw/zinc/91/57/88/1066915788.db2.gz AWSLJWSZFGAXAI-IBGZPJMESA-N 1 1 452.628 3.408 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001301895743 1066916915 /nfs/dbraw/zinc/91/69/15/1066916915.db2.gz HWEJNZBGKAQNLC-CQSZACIVSA-N 1 1 466.483 3.045 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC001301896005 1066917161 /nfs/dbraw/zinc/91/71/61/1066917161.db2.gz MXXWKPHKPSOUEF-QGZVFWFLSA-N 1 1 456.978 3.207 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(Cl)cc2)C[C@H]1C ZINC001301895927 1066917305 /nfs/dbraw/zinc/91/73/05/1066917305.db2.gz KHIGFHJKDYMZIU-GOSISDBHSA-N 1 1 458.994 3.173 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(Cl)c(OC)c2)C[C@@H]1C ZINC001301896004 1066917405 /nfs/dbraw/zinc/91/74/05/1066917405.db2.gz MXXWKPHKPSOUEF-KRWDZBQOSA-N 1 1 456.978 3.207 20 0 JGADMO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001302320576 1066918136 /nfs/dbraw/zinc/91/81/36/1066918136.db2.gz JVQIDPCKGKAMJG-UHFFFAOYSA-N 1 1 496.681 3.190 20 0 JGADMO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001302320576 1066918143 /nfs/dbraw/zinc/91/81/43/1066918143.db2.gz JVQIDPCKGKAMJG-UHFFFAOYSA-N 1 1 496.681 3.190 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(O)c2ccsc2)C[C@@H]1C ZINC001301896279 1066918860 /nfs/dbraw/zinc/91/88/60/1066918860.db2.gz IAJJLNPGHOJODN-MHECFPHRSA-N 1 1 471.627 3.080 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001301896436 1066919210 /nfs/dbraw/zinc/91/92/10/1066919210.db2.gz JVFGKMCPIOFSOB-IRLDBZIGSA-N 1 1 452.603 3.306 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC001301896541 1066919992 /nfs/dbraw/zinc/91/99/92/1066919992.db2.gz UMAJQKBPPJLFJC-QGZVFWFLSA-N 1 1 456.978 3.207 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2csc([C@@H](C)OC)n2)C[C@@H]1C ZINC001301896651 1066920104 /nfs/dbraw/zinc/92/01/04/1066920104.db2.gz NTDZREZCAUKMIC-DLBZAZTESA-N 1 1 474.606 3.453 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OCC(F)F)C[C@@H]1C ZINC001301896873 1066920814 /nfs/dbraw/zinc/92/08/14/1066920814.db2.gz QCZHDGVUOUPFAV-IBGZPJMESA-N 1 1 486.567 3.498 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001301897184 1066920877 /nfs/dbraw/zinc/92/08/77/1066920877.db2.gz UAZKLTMXLJQMRN-FQEVSTJZSA-N 1 1 459.660 3.323 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)Cc2ccc(OC)cc2)C[C@@H]1C ZINC001301897778 1066921125 /nfs/dbraw/zinc/92/11/25/1066921125.db2.gz ARHXGKBFKSCBPL-UXHICEINSA-N 1 1 452.603 3.318 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301897256 1066921150 /nfs/dbraw/zinc/92/11/50/1066921150.db2.gz VJLVFDSGCXWLSR-NRFANRHFSA-N 1 1 458.626 3.221 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC001301898702 1066923296 /nfs/dbraw/zinc/92/32/96/1066923296.db2.gz NTSVJECRPBHGHM-OAHLLOKOSA-N 1 1 495.962 3.139 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC001301899212 1066923713 /nfs/dbraw/zinc/92/37/13/1066923713.db2.gz QTWDMOUOQUFKDE-UHFFFAOYSA-N 1 1 471.993 3.032 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(OC)OC)c2)C[C@@H]1C ZINC001301899323 1066924132 /nfs/dbraw/zinc/92/41/32/1066924132.db2.gz DBEIIYJYIPOXKC-FQEVSTJZSA-N 1 1 480.613 3.145 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001301899835 1066924931 /nfs/dbraw/zinc/92/49/31/1066924931.db2.gz GXULGUWDWXXDRY-KRWDZBQOSA-N 1 1 486.418 3.011 20 0 JGADMO CC(C)(C)[S@@](=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302325918 1066926233 /nfs/dbraw/zinc/92/62/33/1066926233.db2.gz FJUSAKLTKWCXLQ-YTTGMZPUSA-N 1 1 463.623 3.218 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCSC(F)(F)F)C[C@H]1C ZINC001301902477 1066927723 /nfs/dbraw/zinc/92/77/23/1066927723.db2.gz WXDGODUFOAZRNB-CQSZACIVSA-N 1 1 497.547 3.004 20 0 JGADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[NH+](CCc2ccncc2)CC1)Cc1ccccc1 ZINC001301906027 1066930734 /nfs/dbraw/zinc/93/07/34/1066930734.db2.gz OGNWENDXTIHWHB-QHCPKHFHSA-N 1 1 452.599 3.294 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301906724 1066931167 /nfs/dbraw/zinc/93/11/67/1066931167.db2.gz FNHWGYRVHJTITA-RBUKOAKNSA-N 1 1 464.655 3.206 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001301907481 1066931609 /nfs/dbraw/zinc/93/16/09/1066931609.db2.gz NLXUGMOWJFDZQE-DYESRHJHSA-N 1 1 462.589 3.284 20 0 JGADMO CON(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001302333071 1066932371 /nfs/dbraw/zinc/93/23/71/1066932371.db2.gz KHDXOOUNEOAIEV-QGZVFWFLSA-N 1 1 463.652 3.199 20 0 JGADMO COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909370 1066932924 /nfs/dbraw/zinc/93/29/24/1066932924.db2.gz AHUYDQBKLTZLBQ-WMZHIEFXSA-N 1 1 490.643 3.424 20 0 JGADMO COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909370 1066932928 /nfs/dbraw/zinc/93/29/28/1066932928.db2.gz AHUYDQBKLTZLBQ-WMZHIEFXSA-N 1 1 490.643 3.424 20 0 JGADMO CC(C)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001302334410 1066933619 /nfs/dbraw/zinc/93/36/19/1066933619.db2.gz GZMYDOMKJQBNAT-INIZCTEOSA-N 1 1 495.455 3.455 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCCOC(F)(F)F ZINC001302335022 1066934398 /nfs/dbraw/zinc/93/43/98/1066934398.db2.gz OVLFSYYZLCVELL-IPMKNSEASA-N 1 1 489.583 3.424 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCc2ccccc2F)C[C@@H]1C ZINC001301910450 1066934701 /nfs/dbraw/zinc/93/47/01/1066934701.db2.gz CHTWTUXQZYNQBS-VQTJNVASSA-N 1 1 477.650 3.402 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001302335571 1066935516 /nfs/dbraw/zinc/93/55/16/1066935516.db2.gz WFQZHFUZIWQUPL-ONTKHRELSA-N 1 1 465.708 3.418 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001301911148 1066935807 /nfs/dbraw/zinc/93/58/07/1066935807.db2.gz HGFCLGKKMQHEGW-RDGATRHJSA-N 1 1 498.672 3.080 20 0 JGADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001302336083 1066935778 /nfs/dbraw/zinc/93/57/78/1066935778.db2.gz GPECJDLVNJAJOZ-GOSISDBHSA-N 1 1 455.607 3.318 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001301911607 1066937397 /nfs/dbraw/zinc/93/73/97/1066937397.db2.gz IBNKJQCHMIFKKL-SFHVURJKSA-N 1 1 462.664 3.285 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cc(C)ccc2OC)C[C@@H]1C ZINC001301911619 1066937608 /nfs/dbraw/zinc/93/76/08/1066937608.db2.gz IEDQHIVKSYMEQJ-REWPJTCUSA-N 1 1 457.619 3.236 20 0 JGADMO CC(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301912298 1066938500 /nfs/dbraw/zinc/93/85/00/1066938500.db2.gz CWWSJZABPNERPC-RBUKOAKNSA-N 1 1 472.609 3.394 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC001301912495 1066939367 /nfs/dbraw/zinc/93/93/67/1066939367.db2.gz RWZVNQLWJQWJBY-QGZVFWFLSA-N 1 1 464.010 3.106 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCCC3)nc2)C[C@@H]1C ZINC001301913200 1066940861 /nfs/dbraw/zinc/94/08/61/1066940861.db2.gz VAQCLTOLYVXGTH-NRFANRHFSA-N 1 1 455.651 3.067 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2ccc(C)cc2)C[C@@H]1C ZINC001301915635 1066945347 /nfs/dbraw/zinc/94/53/47/1066945347.db2.gz SXNSFECPSASIKI-FUDKSRODSA-N 1 1 457.619 3.453 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001301916519 1066946822 /nfs/dbraw/zinc/94/68/22/1066946822.db2.gz XTEKRIHVGSKULK-PXNSSMCTSA-N 1 1 494.036 3.396 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001301918447 1066949015 /nfs/dbraw/zinc/94/90/15/1066949015.db2.gz CEKAARVMSAYAFS-ILBGXUMGSA-N 1 1 468.690 3.455 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2cccs2)CC1 ZINC001301918675 1066949635 /nfs/dbraw/zinc/94/96/35/1066949635.db2.gz JGCZOWWLZSTHLM-UHFFFAOYSA-N 1 1 460.673 3.442 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccnc(SC)c2)C[C@@H]1C ZINC001301918777 1066949669 /nfs/dbraw/zinc/94/96/69/1066949669.db2.gz CRDHXSSIKISZEP-SFHVURJKSA-N 1 1 470.618 3.330 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C[C@H]1C ZINC001301919818 1066952989 /nfs/dbraw/zinc/95/29/89/1066952989.db2.gz VJGSBAYVZKFWDM-SFLYRZDNSA-N 1 1 470.662 3.262 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCCS2)C[C@H]1C ZINC001301920044 1066953081 /nfs/dbraw/zinc/95/30/81/1066953081.db2.gz MQDABUJNRHUNTE-TZIWHRDSSA-N 1 1 459.660 3.320 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(Cl)cc2F)C[C@@H]1C ZINC001301920470 1066953588 /nfs/dbraw/zinc/95/35/88/1066953588.db2.gz YFDJOZRISSUDFL-KRWDZBQOSA-N 1 1 458.969 3.262 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301921253 1066954494 /nfs/dbraw/zinc/95/44/94/1066954494.db2.gz RXUBCMMHMSCKPV-VXKWHMMOSA-N 1 1 472.653 3.287 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001302365112 1066955004 /nfs/dbraw/zinc/95/50/04/1066955004.db2.gz ZERREZBVPIGBKO-OAQYLSRUSA-N 1 1 478.588 3.045 20 0 JGADMO CO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001302364688 1066955081 /nfs/dbraw/zinc/95/50/81/1066955081.db2.gz AEBAXAWCBDQEFI-RBDMOPTHSA-N 1 1 454.619 3.493 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302366761 1066955780 /nfs/dbraw/zinc/95/57/80/1066955780.db2.gz SAYMCTIMWMKQCN-BWAGFHJFSA-N 1 1 461.582 3.139 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001302367401 1066956778 /nfs/dbraw/zinc/95/67/78/1066956778.db2.gz PCRFYYRSJFEHLV-GOSISDBHSA-N 1 1 464.408 3.044 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001302367401 1066956786 /nfs/dbraw/zinc/95/67/86/1066956786.db2.gz PCRFYYRSJFEHLV-GOSISDBHSA-N 1 1 464.408 3.044 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[C@](C)(O)c2ccccc2)C[C@@H]1C ZINC001301923005 1066957282 /nfs/dbraw/zinc/95/72/82/1066957282.db2.gz PCGJZFFWJNUMHJ-CPJSRVTESA-N 1 1 469.655 3.385 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001301923561 1066957655 /nfs/dbraw/zinc/95/76/55/1066957655.db2.gz QDCMLDHOTBUWCA-IFMALSPDSA-N 1 1 490.693 3.425 20 0 JGADMO CC(C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001302370342 1066958507 /nfs/dbraw/zinc/95/85/07/1066958507.db2.gz MKQBMQNKWGGVNY-SANMLTNESA-N 1 1 471.646 3.227 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(Cl)s2)C[C@@H]1C ZINC001301926364 1066959345 /nfs/dbraw/zinc/95/93/45/1066959345.db2.gz CXGRTWZCNCJLGO-SFHVURJKSA-N 1 1 478.066 3.254 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001301926474 1066960070 /nfs/dbraw/zinc/96/00/70/1066960070.db2.gz GBDXOPBKPGJIKU-HXUWFJFHSA-N 1 1 463.573 3.494 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOC(C)(C)C)C[C@H]1C ZINC001301927182 1066960446 /nfs/dbraw/zinc/96/04/46/1066960446.db2.gz XXGZZJYDEVQRLP-HXUWFJFHSA-N 1 1 454.619 3.253 20 0 JGADMO COCCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301927000 1066960584 /nfs/dbraw/zinc/96/05/84/1066960584.db2.gz RSHFHUFUBQVVCC-VWNXMTODSA-N 1 1 484.689 3.177 20 0 JGADMO COCCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301927000 1066960589 /nfs/dbraw/zinc/96/05/89/1066960589.db2.gz RSHFHUFUBQVVCC-VWNXMTODSA-N 1 1 484.689 3.177 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2OCCC2(C)C)C[C@@H]1C ZINC001301927302 1066961611 /nfs/dbraw/zinc/96/16/11/1066961611.db2.gz BHJQAUOVXOIBPA-UNMCSNQZSA-N 1 1 457.619 3.138 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCS2)CC1 ZINC001301927458 1066962740 /nfs/dbraw/zinc/96/27/40/1066962740.db2.gz GGQACXRISVASQN-LJQANCHMSA-N 1 1 496.475 3.284 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001301927562 1066962808 /nfs/dbraw/zinc/96/28/08/1066962808.db2.gz JJUFJFUDEYPCML-RCZVLFRGSA-N 1 1 471.646 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H]2CCOC2)C[C@@H]1C ZINC001301927596 1066963060 /nfs/dbraw/zinc/96/30/60/1066963060.db2.gz KDYOASACKIHPHN-VXKWHMMOSA-N 1 1 457.619 3.057 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301927572 1066963127 /nfs/dbraw/zinc/96/31/27/1066963127.db2.gz JRMDIYGHJIPHQE-DHIUTWEWSA-N 1 1 470.662 3.054 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301927572 1066963138 /nfs/dbraw/zinc/96/31/38/1066963138.db2.gz JRMDIYGHJIPHQE-DHIUTWEWSA-N 1 1 470.662 3.054 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302380277 1066964158 /nfs/dbraw/zinc/96/41/58/1066964158.db2.gz JFSZAPDNYFMESG-QGZVFWFLSA-N 1 1 484.428 3.500 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302380277 1066964163 /nfs/dbraw/zinc/96/41/63/1066964163.db2.gz JFSZAPDNYFMESG-QGZVFWFLSA-N 1 1 484.428 3.500 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(Cl)nc2)C[C@@H]1C ZINC001301927948 1066964377 /nfs/dbraw/zinc/96/43/77/1066964377.db2.gz PUORXRASZCPSDO-IBGZPJMESA-N 1 1 471.005 3.419 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(SC)CCOCC2)CC1 ZINC001301927886 1066964668 /nfs/dbraw/zinc/96/46/68/1066964668.db2.gz OYGCLNZKMOGBDV-UHFFFAOYSA-N 1 1 489.686 3.155 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccncc2Cl)CC1 ZINC001301928065 1066965395 /nfs/dbraw/zinc/96/53/95/1066965395.db2.gz SDACZZKWNGQLHD-UHFFFAOYSA-N 1 1 456.978 3.031 20 0 JGADMO CC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001301929551 1066967203 /nfs/dbraw/zinc/96/72/03/1066967203.db2.gz COMDBVPQGMMLQO-UHFFFAOYSA-N 1 1 473.046 3.432 20 0 JGADMO CC(C)=CCCn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001302386396 1066968929 /nfs/dbraw/zinc/96/89/29/1066968929.db2.gz ZBCHVISYIKYHAN-UHFFFAOYSA-N 1 1 468.621 3.499 20 0 JGADMO CC(C)=CCCn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001302386396 1066968938 /nfs/dbraw/zinc/96/89/38/1066968938.db2.gz ZBCHVISYIKYHAN-UHFFFAOYSA-N 1 1 468.621 3.499 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001301931610 1066969611 /nfs/dbraw/zinc/96/96/11/1066969611.db2.gz GZTYGFWWHCKFSZ-MXEMCNAFSA-N 1 1 465.683 3.415 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001301931605 1066969771 /nfs/dbraw/zinc/96/97/71/1066969771.db2.gz GRYCRVZHMNYTAU-KRWDZBQOSA-N 1 1 488.004 3.416 20 0 JGADMO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001301932062 1066970238 /nfs/dbraw/zinc/97/02/38/1066970238.db2.gz VOKIHFNJTFCKQW-ICSRJNTNSA-N 1 1 488.702 3.063 20 0 JGADMO CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001302390506 1066970523 /nfs/dbraw/zinc/97/05/23/1066970523.db2.gz OBCUKMRUCQGMJL-VXKWHMMOSA-N 1 1 470.662 3.286 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2C[C@H](F)C2)C[C@@H]1C ZINC001301932275 1066970671 /nfs/dbraw/zinc/97/06/71/1066970671.db2.gz XFFFUPTWFAJVSJ-ALGQRKQJSA-N 1 1 451.631 3.492 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2occc2C)C[C@H]1C ZINC001301932767 1066971721 /nfs/dbraw/zinc/97/17/21/1066971721.db2.gz JNAAPZIBPOVXAQ-UXHICEINSA-N 1 1 488.633 3.457 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)C[C@@H]1C ZINC001301933113 1066972055 /nfs/dbraw/zinc/97/20/55/1066972055.db2.gz LAZGKIJGSHEYFX-OALUTQOASA-N 1 1 462.639 3.307 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H](O)C2)C[C@H]1C ZINC001301933449 1066972592 /nfs/dbraw/zinc/97/25/92/1066972592.db2.gz NEBODIZENVLSMM-NJDAHSKKSA-N 1 1 489.686 3.287 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001301934051 1066974216 /nfs/dbraw/zinc/97/42/16/1066974216.db2.gz UDGPATJQGHUDFI-LJQANCHMSA-N 1 1 469.659 3.126 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2c(C)noc2C)CC1 ZINC001301934182 1066974293 /nfs/dbraw/zinc/97/42/93/1066974293.db2.gz VIWGDINGZPESTJ-UHFFFAOYSA-N 1 1 474.993 3.126 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001301934185 1066974409 /nfs/dbraw/zinc/97/44/09/1066974409.db2.gz VJSNESUAQAQFBM-XUVXKRRUSA-N 1 1 465.708 3.497 20 0 JGADMO CO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001302401381 1066981166 /nfs/dbraw/zinc/98/11/66/1066981166.db2.gz KEBWIIOXTFSCEI-BEFAXECRSA-N 1 1 464.408 3.327 20 0 JGADMO CO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001302402100 1066982273 /nfs/dbraw/zinc/98/22/73/1066982273.db2.gz WIRNWLCTTJLBCU-ACRUOGEOSA-N 1 1 492.665 3.076 20 0 JGADMO CO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001302402694 1066983086 /nfs/dbraw/zinc/98/30/86/1066983086.db2.gz SWKMBXBJFNTPRT-OALUTQOASA-N 1 1 460.648 3.007 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001301943054 1066992696 /nfs/dbraw/zinc/99/26/96/1066992696.db2.gz ANGOXKXXNXSAIX-TUACAJSNSA-N 1 1 482.673 3.434 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1OC ZINC001302421068 1067006527 /nfs/dbraw/zinc/00/65/27/1067006527.db2.gz XEYOUUFHSOAYAP-GXSHZHGVSA-N 1 1 471.646 3.384 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001302421902 1067007920 /nfs/dbraw/zinc/00/79/20/1067007920.db2.gz DNZVGSOLAWTBFO-JOCHJYFZSA-N 1 1 468.646 3.045 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302422065 1067008364 /nfs/dbraw/zinc/00/83/64/1067008364.db2.gz FZTYRTVXVHIYHW-RTWAWAEBSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001302422522 1067009262 /nfs/dbraw/zinc/00/92/62/1067009262.db2.gz OHXIAXSLJZUTEO-SFTDATJTSA-N 1 1 460.667 3.381 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001302422521 1067009442 /nfs/dbraw/zinc/00/94/42/1067009442.db2.gz OHXIAXSLJZUTEO-RTWAWAEBSA-N 1 1 460.667 3.381 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001303959295 1067013832 /nfs/dbraw/zinc/01/38/32/1067013832.db2.gz KFIMDIKQTSTVER-HNNXBMFYSA-N 1 1 493.425 3.280 20 0 JGADMO CS(=O)(=O)c1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@H+]2CC=CCC2)c1 ZINC001302428368 1067014049 /nfs/dbraw/zinc/01/40/49/1067014049.db2.gz QBBSLMSNOBBXHP-UHFFFAOYSA-N 1 1 481.544 3.309 20 0 JGADMO CS(=O)(=O)c1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001302428368 1067014056 /nfs/dbraw/zinc/01/40/56/1067014056.db2.gz QBBSLMSNOBBXHP-UHFFFAOYSA-N 1 1 481.544 3.309 20 0 JGADMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCNc2cccc(C)[nH+]2)cc1 ZINC001303959789 1067014320 /nfs/dbraw/zinc/01/43/20/1067014320.db2.gz OMYGMTCDZMBWLY-UHFFFAOYSA-N 1 1 454.552 3.066 20 0 JGADMO CC1(C)CCC[N@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303960773 1067015022 /nfs/dbraw/zinc/01/50/22/1067015022.db2.gz XBHBBIXLSCRUPY-IAGOWNOFSA-N 1 1 477.597 3.081 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303960773 1067015036 /nfs/dbraw/zinc/01/50/36/1067015036.db2.gz XBHBBIXLSCRUPY-IAGOWNOFSA-N 1 1 477.597 3.081 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001302431532 1067019369 /nfs/dbraw/zinc/01/93/69/1067019369.db2.gz KYKKRPDDXUZBME-QHCPKHFHSA-N 1 1 477.657 3.404 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001302432851 1067022797 /nfs/dbraw/zinc/02/27/97/1067022797.db2.gz FQRPQSYMLMKDDL-ZEQRLZLVSA-N 1 1 481.689 3.373 20 0 JGADMO CC1(C)CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC(C)(C)O1 ZINC001303978986 1067026429 /nfs/dbraw/zinc/02/64/29/1067026429.db2.gz YIVAFFISEGLQFI-FQEVSTJZSA-N 1 1 475.609 3.237 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C)CCOCC2)CC1 ZINC001303992631 1067036026 /nfs/dbraw/zinc/03/60/26/1067036026.db2.gz MARMTIVLKOTBTE-UHFFFAOYSA-N 1 1 474.675 3.397 20 0 JGADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCn2ncc(I)c2C1 ZINC001303997078 1067038608 /nfs/dbraw/zinc/03/86/08/1067038608.db2.gz QQKDUIBDDIMDEZ-QZTJIDSGSA-N 1 1 478.378 3.378 20 0 JGADMO CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001303996983 1067038641 /nfs/dbraw/zinc/03/86/41/1067038641.db2.gz PQPFNIDYGCAAHX-FQEVSTJZSA-N 1 1 476.666 3.276 20 0 JGADMO Cc1sc(C)c(Cn2c(C)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1Br ZINC001304000015 1067043669 /nfs/dbraw/zinc/04/36/69/1067043669.db2.gz VPOXRMSOTIYNGV-SJCJKPOMSA-N 1 1 454.438 3.233 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001304010855 1067053180 /nfs/dbraw/zinc/05/31/80/1067053180.db2.gz MTTDPINEZVQZBX-UHFFFAOYSA-N 1 1 475.601 3.356 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001304012521 1067055778 /nfs/dbraw/zinc/05/57/78/1067055778.db2.gz FRXSDRKJHAWYMH-CTNGQTDRSA-N 1 1 454.619 3.348 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CCn3cccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC001304017026 1067060659 /nfs/dbraw/zinc/06/06/59/1067060659.db2.gz CPOATZSYVIPJGE-HSZRJFAPSA-N 1 1 494.688 3.394 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304021203 1067065033 /nfs/dbraw/zinc/06/50/33/1067065033.db2.gz RGZHXYOFLRBYCB-LOYIFYEOSA-N 1 1 498.672 3.093 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001304022493 1067066319 /nfs/dbraw/zinc/06/63/19/1067066319.db2.gz WCRHSTITRBEHCS-NHCUHLMSSA-N 1 1 468.646 3.469 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001304023345 1067068453 /nfs/dbraw/zinc/06/84/53/1067068453.db2.gz LZBNCOBKVKOONM-RLWLMLJZSA-N 1 1 468.646 3.482 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC001304023323 1067068577 /nfs/dbraw/zinc/06/85/77/1067068577.db2.gz LOBRFVUFUCAHFN-YMPZKCBVSA-N 1 1 498.672 3.238 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001304023545 1067069040 /nfs/dbraw/zinc/06/90/40/1067069040.db2.gz NSWIQIYFWLTBGT-FPOVZHCZSA-N 1 1 465.602 3.332 20 0 JGADMO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001302467357 1067071045 /nfs/dbraw/zinc/07/10/45/1067071045.db2.gz ACELGKXIVUQKFC-FXAWDEMLSA-N 1 1 452.382 3.499 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)c1C ZINC001304027748 1067074975 /nfs/dbraw/zinc/07/49/75/1067074975.db2.gz ZRMYECADOVIZKU-LVXARBLLSA-N 1 1 471.646 3.497 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCOC2)c1C ZINC001304027749 1067075023 /nfs/dbraw/zinc/07/50/23/1067075023.db2.gz ZRMYECADOVIZKU-QFQXNSOFSA-N 1 1 471.646 3.497 20 0 JGADMO CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001302471182 1067075297 /nfs/dbraw/zinc/07/52/97/1067075297.db2.gz VPNHGKUOPOBLSV-QUCCMNQESA-N 1 1 460.648 3.237 20 0 JGADMO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001302471375 1067075756 /nfs/dbraw/zinc/07/57/56/1067075756.db2.gz QXNTWBBOXHEMDI-FYYLOGMGSA-N 1 1 467.662 3.127 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001304028881 1067076657 /nfs/dbraw/zinc/07/66/57/1067076657.db2.gz ISVZGEWKMDXEQS-VWPQPMDRSA-N 1 1 498.672 3.249 20 0 JGADMO CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001302477406 1067078839 /nfs/dbraw/zinc/07/88/39/1067078839.db2.gz APGNLOBKSZQURE-AKIFATBCSA-N 1 1 468.646 3.391 20 0 JGADMO CC(C)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001302478924 1067079758 /nfs/dbraw/zinc/07/97/58/1067079758.db2.gz NMPYADCXKCWIGS-RUZDIDTESA-N 1 1 489.686 3.332 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCNC(=O)C(C)C)c1C ZINC001304031698 1067080507 /nfs/dbraw/zinc/08/05/07/1067080507.db2.gz WXBFAMRELIKGCD-XZOQPEGZSA-N 1 1 498.672 3.108 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CC(=O)NC(C)C)c1C ZINC001304031971 1067081020 /nfs/dbraw/zinc/08/10/20/1067081020.db2.gz YQFRYQRDWLKJBX-IFMALSPDSA-N 1 1 498.672 3.249 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001304032143 1067081585 /nfs/dbraw/zinc/08/15/85/1067081585.db2.gz ZZIHMNUEJVDJSZ-KNQAVFIVSA-N 1 1 468.646 3.483 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001302484810 1067084264 /nfs/dbraw/zinc/08/42/64/1067084264.db2.gz BWELPCAJCAMLAY-OPAMFIHVSA-N 1 1 495.466 3.132 20 0 JGADMO Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCC[C@H]3C)C2)sc1C ZINC001304045430 1067088006 /nfs/dbraw/zinc/08/80/06/1067088006.db2.gz PQVKQYSPPUZADG-APWZRJJASA-N 1 1 459.664 3.358 20 0 JGADMO Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCC[C@@H]3C)C2)sc1C ZINC001304045432 1067088082 /nfs/dbraw/zinc/08/80/82/1067088082.db2.gz PQVKQYSPPUZADG-QFBILLFUSA-N 1 1 459.664 3.358 20 0 JGADMO Cc1nc(N2CCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)sc1C ZINC001304055214 1067095655 /nfs/dbraw/zinc/09/56/55/1067095655.db2.gz DSKGEKFIZDCWER-GOSISDBHSA-N 1 1 461.680 3.302 20 0 JGADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCS(C)(=O)=O ZINC001304060401 1067104469 /nfs/dbraw/zinc/10/44/69/1067104469.db2.gz ZYYOBGSDIUORKV-UHFFFAOYSA-N 1 1 488.683 3.200 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001302514809 1067132221 /nfs/dbraw/zinc/13/22/21/1067132221.db2.gz SXXRAPFYJBJGQO-HZPDHXFCSA-N 1 1 484.464 3.351 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001302517703 1067136916 /nfs/dbraw/zinc/13/69/16/1067136916.db2.gz AYSJXUCJIRROPD-QFQXNSOFSA-N 1 1 499.660 3.190 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304092884 1067137020 /nfs/dbraw/zinc/13/70/20/1067137020.db2.gz CSNHFNGUWGGPFD-UHFFFAOYSA-N 1 1 471.650 3.435 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304092884 1067137023 /nfs/dbraw/zinc/13/70/23/1067137023.db2.gz CSNHFNGUWGGPFD-UHFFFAOYSA-N 1 1 471.650 3.435 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304092884 1067137026 /nfs/dbraw/zinc/13/70/26/1067137026.db2.gz CSNHFNGUWGGPFD-UHFFFAOYSA-N 1 1 471.650 3.435 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001302519384 1067139618 /nfs/dbraw/zinc/13/96/18/1067139618.db2.gz NEAZLDNFPGRPNT-NSHGMRRFSA-N 1 1 457.623 3.495 20 0 JGADMO CSC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001302520162 1067140030 /nfs/dbraw/zinc/14/00/30/1067140030.db2.gz DGONIYZNCSIZLZ-UHFFFAOYSA-N 1 1 479.720 3.300 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)cnn1C ZINC001304098684 1067141697 /nfs/dbraw/zinc/14/16/97/1067141697.db2.gz SAIRFZCMZKCOKQ-IBGZPJMESA-N 1 1 485.608 3.175 20 0 JGADMO Cc1nnsc1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304104504 1067145957 /nfs/dbraw/zinc/14/59/57/1067145957.db2.gz JVLANJAIUMMJEO-GASCZTMLSA-N 1 1 462.023 3.352 20 0 JGADMO Cc1nnsc1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304104504 1067145970 /nfs/dbraw/zinc/14/59/70/1067145970.db2.gz JVLANJAIUMMJEO-GASCZTMLSA-N 1 1 462.023 3.352 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302525191 1067147231 /nfs/dbraw/zinc/14/72/31/1067147231.db2.gz LPISIWFSPIJPQP-LEWJYISDSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](C(C)C)CC1)N1CCOCC1 ZINC001302525606 1067148633 /nfs/dbraw/zinc/14/86/33/1067148633.db2.gz ONGLUGQWTMSKSO-XMMPIXPASA-N 1 1 472.653 3.285 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C)[NH+]1CCOCC1 ZINC001302525903 1067149097 /nfs/dbraw/zinc/14/90/97/1067149097.db2.gz PVOFJALWQRQWLW-FQEVSTJZSA-N 1 1 490.027 3.388 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccnn2C)CC1)[NH+]1CCOCC1 ZINC001302527534 1067154082 /nfs/dbraw/zinc/15/40/82/1067154082.db2.gz YHOZTBJCFRTNHQ-QFIPXVFZSA-N 1 1 457.667 3.341 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCOCC1 ZINC001302527798 1067154903 /nfs/dbraw/zinc/15/49/03/1067154903.db2.gz ZHHWRQMWEMMRSG-UNMCSNQZSA-N 1 1 475.609 3.183 20 0 JGADMO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccco1)[NH+]1CCOCC1 ZINC001302528638 1067156477 /nfs/dbraw/zinc/15/64/77/1067156477.db2.gz KPBJRSMQYPCNGA-OALUTQOASA-N 1 1 486.642 3.417 20 0 JGADMO CC(C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1Nc1cnn(C)c1)[NH+]1CCOCC1 ZINC001302528503 1067156638 /nfs/dbraw/zinc/15/66/38/1067156638.db2.gz JMNCHIXWOMGLQG-FQEVSTJZSA-N 1 1 459.982 3.344 20 0 JGADMO Cc1nnsc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304119330 1067158896 /nfs/dbraw/zinc/15/88/96/1067158896.db2.gz AISAITYHDXZVPY-UHFFFAOYSA-N 1 1 476.050 3.278 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001302529504 1067158996 /nfs/dbraw/zinc/15/89/96/1067158996.db2.gz YQQMLAXOZIEWNE-PZJWPPBQSA-N 1 1 476.666 3.033 20 0 JGADMO CSC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001302533257 1067162395 /nfs/dbraw/zinc/16/23/95/1067162395.db2.gz IARVKBSKOWTBBJ-NRFANRHFSA-N 1 1 492.759 3.303 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304135671 1067174051 /nfs/dbraw/zinc/17/40/51/1067174051.db2.gz HUQPIGIHVYYVEN-BGYRXZFFSA-N 1 1 454.619 3.347 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304136458 1067175531 /nfs/dbraw/zinc/17/55/31/1067175531.db2.gz OJLTYENZHDPFSJ-XPWALMASSA-N 1 1 498.672 3.363 20 0 JGADMO CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302545234 1067179428 /nfs/dbraw/zinc/17/94/28/1067179428.db2.gz HMIRPIRUIPHNGV-WOIUINJBSA-N 1 1 456.660 3.076 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC001302551723 1067188264 /nfs/dbraw/zinc/18/82/64/1067188264.db2.gz KEBFSTOUGVUQMU-KRWDZBQOSA-N 1 1 471.009 3.264 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@@H]2C)cn1 ZINC001302551723 1067188269 /nfs/dbraw/zinc/18/82/69/1067188269.db2.gz KEBFSTOUGVUQMU-KRWDZBQOSA-N 1 1 471.009 3.264 20 0 JGADMO Cc1cc(C(=O)N2CCN(c3nnc(CC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)c(C)o1 ZINC001304145949 1067188738 /nfs/dbraw/zinc/18/87/38/1067188738.db2.gz LMPIBORKBUVMOS-JOCHJYFZSA-N 1 1 486.661 3.006 20 0 JGADMO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c(C)o1 ZINC001304147186 1067191920 /nfs/dbraw/zinc/19/19/20/1067191920.db2.gz ONSNAHJIWPNKQI-AJTFRIOCSA-N 1 1 497.640 3.081 20 0 JGADMO Cc1cc([C@@](C)(O)Cn2c([C@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304151718 1067197601 /nfs/dbraw/zinc/19/76/01/1067197601.db2.gz IMWXPCZKTMNQBS-GJZUVCINSA-N 1 1 489.661 3.432 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(CCCc3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC001302558278 1067198148 /nfs/dbraw/zinc/19/81/48/1067198148.db2.gz ZEUZCJWQTCCROJ-SANMLTNESA-N 1 1 463.630 3.070 20 0 JGADMO Cc1cccc([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304153893 1067202122 /nfs/dbraw/zinc/20/21/22/1067202122.db2.gz BDNDHSDBQPFKBZ-NJYVYQBISA-N 1 1 451.619 3.336 20 0 JGADMO Cc1cccc([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304153893 1067202126 /nfs/dbraw/zinc/20/21/26/1067202126.db2.gz BDNDHSDBQPFKBZ-NJYVYQBISA-N 1 1 451.619 3.336 20 0 JGADMO CS[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302565835 1067205476 /nfs/dbraw/zinc/20/54/76/1067205476.db2.gz IMIVLZCYCSZVHW-SFTDATJTSA-N 1 1 459.660 3.384 20 0 JGADMO CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)NC[C@H]3CCCC[N@H+]3Cc3ccccc3)c2C1 ZINC001302569776 1067208690 /nfs/dbraw/zinc/20/86/90/1067208690.db2.gz LDDJRSQVVKCTCI-LJQANCHMSA-N 1 1 453.587 3.487 20 0 JGADMO CC(C)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302570686 1067209677 /nfs/dbraw/zinc/20/96/77/1067209677.db2.gz MHTBWIJXVWJSCV-XMMPIXPASA-N 1 1 482.673 3.499 20 0 JGADMO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302571309 1067210716 /nfs/dbraw/zinc/21/07/16/1067210716.db2.gz MVLYNXQAWNPAHB-FQEVSTJZSA-N 1 1 483.082 3.218 20 0 JGADMO CC(C)c1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302571783 1067211755 /nfs/dbraw/zinc/21/17/55/1067211755.db2.gz GOHZSJMCHQVGNQ-NRFANRHFSA-N 1 1 469.678 3.083 20 0 JGADMO CC(C)c1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302571783 1067211759 /nfs/dbraw/zinc/21/17/59/1067211759.db2.gz GOHZSJMCHQVGNQ-NRFANRHFSA-N 1 1 469.678 3.083 20 0 JGADMO CC(C)c1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302571783 1067211760 /nfs/dbraw/zinc/21/17/60/1067211760.db2.gz GOHZSJMCHQVGNQ-NRFANRHFSA-N 1 1 469.678 3.083 20 0 JGADMO CS[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC001302577389 1067215102 /nfs/dbraw/zinc/21/51/02/1067215102.db2.gz BIOMJJQUVWWGKK-YRPNKDGESA-N 1 1 453.697 3.495 20 0 JGADMO CS[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC001302577389 1067215110 /nfs/dbraw/zinc/21/51/10/1067215110.db2.gz BIOMJJQUVWWGKK-YRPNKDGESA-N 1 1 453.697 3.495 20 0 JGADMO CS[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)C(C)(C)C ZINC001302580283 1067218157 /nfs/dbraw/zinc/21/81/57/1067218157.db2.gz MPFIXQPXUNVFTB-IBGZPJMESA-N 1 1 480.723 3.086 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CC(F)(F)F)c1 ZINC001304170474 1067218161 /nfs/dbraw/zinc/21/81/61/1067218161.db2.gz LYDUVFLJEFZRFA-IEBWSBKVSA-N 1 1 453.509 3.193 20 0 JGADMO CS[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)C(C)(C)C ZINC001302580527 1067218627 /nfs/dbraw/zinc/21/86/27/1067218627.db2.gz XDTUYUMMHJUJJQ-XLIONFOSSA-N 1 1 461.680 3.146 20 0 JGADMO CS[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001302580626 1067218699 /nfs/dbraw/zinc/21/86/99/1067218699.db2.gz NWJUBEGQAOGYIM-HSALFYBXSA-N 1 1 451.681 3.456 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304175621 1067224637 /nfs/dbraw/zinc/22/46/37/1067224637.db2.gz WJPOOKQEQFLMBG-JOCHJYFZSA-N 1 1 468.646 3.405 20 0 JGADMO C[S@@](=O)C1(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001304177689 1067226419 /nfs/dbraw/zinc/22/64/19/1067226419.db2.gz YXCGOWUTEGOZAZ-WJOKGBTCSA-N 1 1 450.605 3.159 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304178404 1067227845 /nfs/dbraw/zinc/22/78/45/1067227845.db2.gz IMDZHXLZNWOGIY-GGAORHGYSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)N2CCOCC2)c1 ZINC001304179578 1067228773 /nfs/dbraw/zinc/22/87/73/1067228773.db2.gz WSUSFMRKWFKCJF-QHCPKHFHSA-N 1 1 470.662 3.115 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCc2ccn(C)n2)c1 ZINC001304179391 1067228868 /nfs/dbraw/zinc/22/88/68/1067228868.db2.gz VTJMXFNJAZZUGY-UHFFFAOYSA-N 1 1 451.619 3.371 20 0 JGADMO CC(C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302593272 1067231705 /nfs/dbraw/zinc/23/17/05/1067231705.db2.gz MAPWBLAZTIPELW-XMMPIXPASA-N 1 1 484.689 3.240 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001304182550 1067232554 /nfs/dbraw/zinc/23/25/54/1067232554.db2.gz PZFHRSTZEOAYJA-UHFFFAOYSA-N 1 1 491.640 3.172 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001302595228 1067232847 /nfs/dbraw/zinc/23/28/47/1067232847.db2.gz PONHOMCUMSZWNW-KDURUIRLSA-N 1 1 455.582 3.320 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001302595228 1067232853 /nfs/dbraw/zinc/23/28/53/1067232853.db2.gz PONHOMCUMSZWNW-KDURUIRLSA-N 1 1 455.582 3.320 20 0 JGADMO CC(C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302607014 1067241462 /nfs/dbraw/zinc/24/14/62/1067241462.db2.gz NRXVYSSVPGVNGI-QAPCUYQASA-N 1 1 453.509 3.347 20 0 JGADMO CSC1(Cn2c(CC(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCOCC1 ZINC001302609625 1067243256 /nfs/dbraw/zinc/24/32/56/1067243256.db2.gz ADCUBYNESGEUSS-UHFFFAOYSA-N 1 1 453.697 3.183 20 0 JGADMO Cc1cc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H]2C)no1 ZINC001304198943 1067248720 /nfs/dbraw/zinc/24/87/20/1067248720.db2.gz ZVMPLXNOCBPKIJ-INIZCTEOSA-N 1 1 471.993 3.279 20 0 JGADMO Cc1cccc(CN(C)c2nnc(Cc3cccnc3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001304211259 1067255148 /nfs/dbraw/zinc/25/51/48/1067255148.db2.gz QUFQQAIODNIRFE-UHFFFAOYSA-N 1 1 461.658 3.482 20 0 JGADMO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302629322 1067259565 /nfs/dbraw/zinc/25/95/65/1067259565.db2.gz XEVLBUQSBHTPGZ-FQEVSTJZSA-N 1 1 476.691 3.172 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001302629752 1067260150 /nfs/dbraw/zinc/26/01/50/1067260150.db2.gz XBGJWKHIPMFOKJ-AWEZNQCLSA-N 1 1 475.947 3.014 20 0 JGADMO C[C@@]1(NC(=O)c2cc(S(C)(=O)=O)ccc2N)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304219338 1067260798 /nfs/dbraw/zinc/26/07/98/1067260798.db2.gz XHIFDRQCXXIOOK-JYFHCDHNSA-N 1 1 463.603 3.460 20 0 JGADMO C[C@@]1(NC(=O)c2cc(S(C)(=O)=O)ccc2N)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304219338 1067260805 /nfs/dbraw/zinc/26/08/05/1067260805.db2.gz XHIFDRQCXXIOOK-JYFHCDHNSA-N 1 1 463.603 3.460 20 0 JGADMO Cc1cc(Cn2c(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 ZINC001304226364 1067265013 /nfs/dbraw/zinc/26/50/13/1067265013.db2.gz ZTDGAEJWLVJVDB-YDIMBITNSA-N 1 1 477.675 3.282 20 0 JGADMO Cc1cc(Cn2c(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 ZINC001304226364 1067265029 /nfs/dbraw/zinc/26/50/29/1067265029.db2.gz ZTDGAEJWLVJVDB-YDIMBITNSA-N 1 1 477.675 3.282 20 0 JGADMO CC(C)c1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302638708 1067268337 /nfs/dbraw/zinc/26/83/37/1067268337.db2.gz PNKDACZFKCIDPV-HSZRJFAPSA-N 1 1 473.637 3.352 20 0 JGADMO CSc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001302645270 1067274233 /nfs/dbraw/zinc/27/42/33/1067274233.db2.gz ITZKHUXFJPOIGU-NRFANRHFSA-N 1 1 459.660 3.294 20 0 JGADMO CSc1ccc(F)cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302652568 1067278932 /nfs/dbraw/zinc/27/89/32/1067278932.db2.gz CSIGUUVPQUWKOQ-GOSISDBHSA-N 1 1 460.623 3.449 20 0 JGADMO Cc1cc(N2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3CCOCC3)CC2)nc(C(C)C)n1 ZINC001304245888 1067281235 /nfs/dbraw/zinc/28/12/35/1067281235.db2.gz RHYDSHZKPMEZSG-UHFFFAOYSA-N 1 1 470.666 3.061 20 0 JGADMO Cc1cc(N2CCN(c3nnc(-c4cnccn4)n3CCC[N@H+](C)C(C)C)CC2)nc(C(C)C)n1 ZINC001304246167 1067281648 /nfs/dbraw/zinc/28/16/48/1067281648.db2.gz VCONFJDEOJXLBE-UHFFFAOYSA-N 1 1 478.649 3.014 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304249213 1067284438 /nfs/dbraw/zinc/28/44/38/1067284438.db2.gz DWXAMQKQZHBXRF-FGZHOGPDSA-N 1 1 468.646 3.458 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001304250222 1067285304 /nfs/dbraw/zinc/28/53/04/1067285304.db2.gz OYKMGJCDGZMOLO-VXKWHMMOSA-N 1 1 498.672 3.226 20 0 JGADMO CC(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302661091 1067287965 /nfs/dbraw/zinc/28/79/65/1067287965.db2.gz BMMNHVJTOFEADF-UHFFFAOYSA-N 1 1 487.718 3.089 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001302660792 1067288019 /nfs/dbraw/zinc/28/80/19/1067288019.db2.gz ZVVFFHKSUSFKIA-KRWDZBQOSA-N 1 1 453.616 3.234 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302661207 1067288509 /nfs/dbraw/zinc/28/85/09/1067288509.db2.gz SFRPMCVTHPTBFV-SFTDATJTSA-N 1 1 480.723 3.353 20 0 JGADMO CC(C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302664389 1067291551 /nfs/dbraw/zinc/29/15/51/1067291551.db2.gz IZBCYUPMUBTDRM-QHCPKHFHSA-N 1 1 481.689 3.057 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001302668808 1067295717 /nfs/dbraw/zinc/29/57/17/1067295717.db2.gz NKODMDCJWPJUAT-OAQYLSRUSA-N 1 1 477.078 3.485 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(-c3ccccn3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001302668138 1067295824 /nfs/dbraw/zinc/29/58/24/1067295824.db2.gz IYZBBJAYLHGHDQ-OAQYLSRUSA-N 1 1 457.692 3.336 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302670746 1067296743 /nfs/dbraw/zinc/29/67/43/1067296743.db2.gz BGNIYMHFKRPCDT-UXHICEINSA-N 1 1 460.623 3.222 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001304268175 1067301616 /nfs/dbraw/zinc/30/16/16/1067301616.db2.gz GORGFHFFKCODHX-MOPGFXCFSA-N 1 1 454.619 3.083 20 0 JGADMO CS[C@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302676193 1067301679 /nfs/dbraw/zinc/30/16/79/1067301679.db2.gz BJNRREBVDUGBMT-AXHZCLLHSA-N 1 1 494.706 3.139 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001304276460 1067314599 /nfs/dbraw/zinc/31/45/99/1067314599.db2.gz YUICJBMLINRVNL-IBGZPJMESA-N 1 1 465.602 3.161 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCCS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC001304276855 1067315732 /nfs/dbraw/zinc/31/57/32/1067315732.db2.gz ALGNXNISKJDBFI-GOTSBHOMSA-N 1 1 489.686 3.189 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)S[C@@H](C)C2)[NH+](C)C)cc1 ZINC001304278505 1067317934 /nfs/dbraw/zinc/31/79/34/1067317934.db2.gz MBYBLIUVAIYKTK-JYRKZWEQSA-N 1 1 477.700 3.122 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001304279687 1067320114 /nfs/dbraw/zinc/32/01/14/1067320114.db2.gz DHNZBKOUJFULFF-XMMPIXPASA-N 1 1 471.005 3.225 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304281293 1067321667 /nfs/dbraw/zinc/32/16/67/1067321667.db2.gz FHHREYHXVHQDOH-PBDKAQRYSA-N 1 1 498.672 3.063 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001304283195 1067323867 /nfs/dbraw/zinc/32/38/67/1067323867.db2.gz RGYZLOSVBBQRAB-VXKWHMMOSA-N 1 1 468.646 3.154 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCC(=O)NC(C)C)c1 ZINC001304283303 1067324062 /nfs/dbraw/zinc/32/40/62/1067324062.db2.gz UGEDMCFRSAYKFQ-NHCUHLMSSA-N 1 1 454.619 3.062 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304284198 1067325360 /nfs/dbraw/zinc/32/53/60/1067325360.db2.gz ORMQKKNLGPNBFE-YADHBBJMSA-N 1 1 457.619 3.056 20 0 JGADMO CC(C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001302701677 1067325634 /nfs/dbraw/zinc/32/56/34/1067325634.db2.gz WEASXNADFDQNNG-ZWKOTPCHSA-N 1 1 452.372 3.396 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001302701677 1067325645 /nfs/dbraw/zinc/32/56/45/1067325645.db2.gz WEASXNADFDQNNG-ZWKOTPCHSA-N 1 1 452.372 3.396 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCC[NH+]1CCOCC1 ZINC001302703979 1067326620 /nfs/dbraw/zinc/32/66/20/1067326620.db2.gz DMZLBCDSAOZRTF-FQEVSTJZSA-N 1 1 451.974 3.494 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302704767 1067327029 /nfs/dbraw/zinc/32/70/29/1067327029.db2.gz NNRBRLJARANMMM-WIYYLYMNSA-N 1 1 454.402 3.353 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001304286736 1067328911 /nfs/dbraw/zinc/32/89/11/1067328911.db2.gz QICUBKJLLOMLLF-HXUWFJFHSA-N 1 1 454.619 3.015 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCCOC(C)C)c1 ZINC001304287889 1067330795 /nfs/dbraw/zinc/33/07/95/1067330795.db2.gz ALGWSNRRCAYCFN-HSZRJFAPSA-N 1 1 498.672 3.032 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001304287931 1067331446 /nfs/dbraw/zinc/33/14/46/1067331446.db2.gz BOOCKENYIFGSQT-YADHBBJMSA-N 1 1 468.646 3.296 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304288549 1067332487 /nfs/dbraw/zinc/33/24/87/1067332487.db2.gz PNHIEHGYXQJMAX-VWLOTQADSA-N 1 1 454.619 3.063 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@@H+]1CCOCC1(C)C ZINC001302720033 1067336430 /nfs/dbraw/zinc/33/64/30/1067336430.db2.gz RHFPCGKDFXVUBR-GOSISDBHSA-N 1 1 475.659 3.405 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@H+]1CCOCC1(C)C ZINC001302720033 1067336440 /nfs/dbraw/zinc/33/64/40/1067336440.db2.gz RHFPCGKDFXVUBR-GOSISDBHSA-N 1 1 475.659 3.405 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304290509 1067337463 /nfs/dbraw/zinc/33/74/63/1067337463.db2.gz GNGDXSSTTIZYRZ-FCHUYYIVSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304290510 1067337662 /nfs/dbraw/zinc/33/76/62/1067337662.db2.gz GNGDXSSTTIZYRZ-FGZHOGPDSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(CCOc4ccccc4Cl)C3)C2)cc1 ZINC001302723894 1067339096 /nfs/dbraw/zinc/33/90/96/1067339096.db2.gz NTQCFJYEICEKBX-LEWJYISDSA-N 1 1 455.986 3.266 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302724021 1067339435 /nfs/dbraw/zinc/33/94/35/1067339435.db2.gz OBFOCTJHJIOUEF-MSOLQXFVSA-N 1 1 478.663 3.085 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302724114 1067339478 /nfs/dbraw/zinc/33/94/78/1067339478.db2.gz PDXPTAXDLRVDLF-GCJKJVERSA-N 1 1 462.689 3.126 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001304294841 1067344083 /nfs/dbraw/zinc/34/40/83/1067344083.db2.gz XPKJZWGBEYXYGY-PZJWPPBQSA-N 1 1 459.660 3.384 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302731287 1067345746 /nfs/dbraw/zinc/34/57/46/1067345746.db2.gz NYDCZBORHRZKIW-YPCDYVTLSA-N 1 1 490.693 3.332 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302731286 1067345808 /nfs/dbraw/zinc/34/58/08/1067345808.db2.gz NYDCZBORHRZKIW-SWYRRKHMSA-N 1 1 490.693 3.332 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001302732511 1067346520 /nfs/dbraw/zinc/34/65/20/1067346520.db2.gz VXZFMWIZFUBCJJ-HBMCJLEFSA-N 1 1 451.681 3.317 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302743238 1067352453 /nfs/dbraw/zinc/35/24/53/1067352453.db2.gz JYWFZUZWTXKPQH-NHCUHLMSSA-N 1 1 458.676 3.498 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCNC(=O)C(C)C)cc1Br ZINC001304305803 1067353957 /nfs/dbraw/zinc/35/39/57/1067353957.db2.gz AFKWTZJBLBXYOM-MJGOQNOKSA-N 1 1 489.462 3.461 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001304311359 1067359053 /nfs/dbraw/zinc/35/90/53/1067359053.db2.gz LCVDLIKKNZGWOS-AVRWGWEMSA-N 1 1 488.633 3.403 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304311422 1067359096 /nfs/dbraw/zinc/35/90/96/1067359096.db2.gz LQQNWBNJOWUGNE-BVZFJXPGSA-N 1 1 450.587 3.459 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304313872 1067360783 /nfs/dbraw/zinc/36/07/83/1067360783.db2.gz BGUZGZDIWHVATD-BGYRXZFFSA-N 1 1 472.634 3.087 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC001304314364 1067361754 /nfs/dbraw/zinc/36/17/54/1067361754.db2.gz BCRFCGKEDZZLMS-NRFANRHFSA-N 1 1 472.634 3.183 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304317970 1067365493 /nfs/dbraw/zinc/36/54/93/1067365493.db2.gz UIQIGBASLBJACW-WIYYLYMNSA-N 1 1 471.627 3.380 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001304319244 1067366618 /nfs/dbraw/zinc/36/66/18/1067366618.db2.gz XYHFPNXLSAZVAI-UHFFFAOYSA-N 1 1 451.637 3.370 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@@H](C(F)F)N2CCOCC2)o1 ZINC001304319249 1067366869 /nfs/dbraw/zinc/36/68/69/1067366869.db2.gz YDGCJQUKYKBQIR-IBGZPJMESA-N 1 1 466.577 3.123 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)o1 ZINC001304319661 1067367125 /nfs/dbraw/zinc/36/71/25/1067367125.db2.gz FPMNDIMYKPKUHA-LEWJYISDSA-N 1 1 486.661 3.072 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CC=CCC2)CCS1 ZINC001302772042 1067369893 /nfs/dbraw/zinc/36/98/93/1067369893.db2.gz ITENHJSTHSPSNX-OAQYLSRUSA-N 1 1 475.684 3.188 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001302772042 1067369899 /nfs/dbraw/zinc/36/98/99/1067369899.db2.gz ITENHJSTHSPSNX-OAQYLSRUSA-N 1 1 475.684 3.188 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001304322904 1067370812 /nfs/dbraw/zinc/37/08/12/1067370812.db2.gz NZJDMCIQDIZTMH-SFHVURJKSA-N 1 1 486.418 3.313 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CCCOCC(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H]2C)o1 ZINC001304324716 1067373304 /nfs/dbraw/zinc/37/33/04/1067373304.db2.gz QWHNHAWPKVBGBG-SFHVURJKSA-N 1 1 484.567 3.422 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CCCOCC(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H]2C)o1 ZINC001304324716 1067373316 /nfs/dbraw/zinc/37/33/16/1067373316.db2.gz QWHNHAWPKVBGBG-SFHVURJKSA-N 1 1 484.567 3.422 20 0 JGADMO CSCCCN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302782565 1067376342 /nfs/dbraw/zinc/37/63/42/1067376342.db2.gz CKWQLJJJEVOWOZ-NRFANRHFSA-N 1 1 452.628 3.144 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001302782270 1067376366 /nfs/dbraw/zinc/37/63/66/1067376366.db2.gz UPRJMQBIZHJJGQ-HSZRJFAPSA-N 1 1 469.678 3.335 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001302787484 1067379337 /nfs/dbraw/zinc/37/93/37/1067379337.db2.gz HSLOPEVKOLZTDQ-DEOSSOPVSA-N 1 1 488.652 3.131 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001302789046 1067380535 /nfs/dbraw/zinc/38/05/35/1067380535.db2.gz OLKDMUKLMFLKPO-UGKGYDQZSA-N 1 1 484.428 3.092 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001304338650 1067384069 /nfs/dbraw/zinc/38/40/69/1067384069.db2.gz QNUWKTMWBAUNJO-RCZVLFRGSA-N 1 1 475.634 3.213 20 0 JGADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302794665 1067384966 /nfs/dbraw/zinc/38/49/66/1067384966.db2.gz BKELWWYWGXWVIR-IRLDBZIGSA-N 1 1 458.651 3.282 20 0 JGADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302794665 1067384976 /nfs/dbraw/zinc/38/49/76/1067384976.db2.gz BKELWWYWGXWVIR-IRLDBZIGSA-N 1 1 458.651 3.282 20 0 JGADMO CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302794661 1067385007 /nfs/dbraw/zinc/38/50/07/1067385007.db2.gz BKELWWYWGXWVIR-IFMALSPDSA-N 1 1 458.651 3.282 20 0 JGADMO CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302794661 1067385015 /nfs/dbraw/zinc/38/50/15/1067385015.db2.gz BKELWWYWGXWVIR-IFMALSPDSA-N 1 1 458.651 3.282 20 0 JGADMO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001302799898 1067388927 /nfs/dbraw/zinc/38/89/27/1067388927.db2.gz WNXMMRJLGZUJEK-ZBFHGGJFSA-N 1 1 453.454 3.472 20 0 JGADMO CSCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001302799840 1067389018 /nfs/dbraw/zinc/38/90/18/1067389018.db2.gz UVISYSUBDGMDQK-UHFFFAOYSA-N 1 1 479.720 3.220 20 0 JGADMO CC(C)[C@H]1OCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001302805271 1067393068 /nfs/dbraw/zinc/39/30/68/1067393068.db2.gz HFQPGQPBKYVUDI-WIOPSUGQSA-N 1 1 474.694 3.408 20 0 JGADMO CC(C)C[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)C)CC1)[NH+](C)C ZINC001302811694 1067399432 /nfs/dbraw/zinc/39/94/32/1067399432.db2.gz LAMHAOLMCKCOHQ-NRFANRHFSA-N 1 1 456.635 3.223 20 0 JGADMO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001304362057 1067400195 /nfs/dbraw/zinc/40/01/95/1067400195.db2.gz KUPFFJNLJHKCGG-UHFFFAOYSA-N 1 1 488.683 3.235 20 0 JGADMO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001304362057 1067400198 /nfs/dbraw/zinc/40/01/98/1067400198.db2.gz KUPFFJNLJHKCGG-UHFFFAOYSA-N 1 1 488.683 3.235 20 0 JGADMO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC001302813484 1067400845 /nfs/dbraw/zinc/40/08/45/1067400845.db2.gz YDMRJBDATCBSGH-UKILVPOCSA-N 1 1 479.673 3.116 20 0 JGADMO CC(C)C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001302823791 1067412544 /nfs/dbraw/zinc/41/25/44/1067412544.db2.gz VANMNJMDQDXBEX-HSZRJFAPSA-N 1 1 489.659 3.465 20 0 JGADMO CSCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302825190 1067414803 /nfs/dbraw/zinc/41/48/03/1067414803.db2.gz GBDBGXBGISINAY-NRFANRHFSA-N 1 1 459.660 3.386 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@@H+]2CC=CCC2)cc1C ZINC001304376431 1067417610 /nfs/dbraw/zinc/41/76/10/1067417610.db2.gz YQUHZBIVCWNSLL-OAQYLSRUSA-N 1 1 452.603 3.272 20 0 JGADMO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001302827840 1067418124 /nfs/dbraw/zinc/41/81/24/1067418124.db2.gz WKTMIRIIVBNENI-YRXWBPOGSA-N 1 1 464.680 3.475 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001304376715 1067418549 /nfs/dbraw/zinc/41/85/49/1067418549.db2.gz AGEUURHULHSEHE-IEIRFRATSA-N 1 1 495.672 3.325 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001304376641 1067418628 /nfs/dbraw/zinc/41/86/28/1067418628.db2.gz BSLIMLVGEQGNRA-JOCHJYFZSA-N 1 1 481.645 3.125 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCOC(C)(C)C)cc1C ZINC001304377710 1067420833 /nfs/dbraw/zinc/42/08/33/1067420833.db2.gz LNMBHDVFDAZODD-AREMUKBSSA-N 1 1 484.645 3.263 20 0 JGADMO CC(C)Cc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302838415 1067424361 /nfs/dbraw/zinc/42/43/61/1067424361.db2.gz VBAHZILQKHVRHL-UHFFFAOYSA-N 1 1 482.673 3.328 20 0 JGADMO CC(C)Cc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302838415 1067424369 /nfs/dbraw/zinc/42/43/69/1067424369.db2.gz VBAHZILQKHVRHL-UHFFFAOYSA-N 1 1 482.673 3.328 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001304382726 1067431462 /nfs/dbraw/zinc/43/14/62/1067431462.db2.gz LQKCTXKLACKTGJ-FPOVZHCZSA-N 1 1 493.612 3.135 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCO[C@@H](C)C1 ZINC001304383231 1067432465 /nfs/dbraw/zinc/43/24/65/1067432465.db2.gz JJRAUBHDTJFTJL-IBGZPJMESA-N 1 1 451.575 3.358 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302851144 1067435502 /nfs/dbraw/zinc/43/55/02/1067435502.db2.gz ZGAUKOQNOSUZQY-GOSISDBHSA-N 1 1 472.588 3.416 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2CCC[N@H+](C)C2CCCCC2)cc1C ZINC001304386875 1067441735 /nfs/dbraw/zinc/44/17/35/1067441735.db2.gz QNJLXLTWVZJSJP-UHFFFAOYSA-N 1 1 486.686 3.371 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CCC[N@H+](C)C(C)C)C2)nc1 ZINC001304386992 1067441774 /nfs/dbraw/zinc/44/17/74/1067441774.db2.gz MYKLRHUFVPULIO-NHCUHLMSSA-N 1 1 469.634 3.071 20 0 JGADMO CC(C)Cc1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302859070 1067442006 /nfs/dbraw/zinc/44/20/06/1067442006.db2.gz PLBJXVPUEWDNRC-XMMPIXPASA-N 1 1 477.650 3.339 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001304388609 1067446614 /nfs/dbraw/zinc/44/66/14/1067446614.db2.gz QMCQLBJXEVPQMC-QFIPXVFZSA-N 1 1 481.645 3.267 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(-c2cnccn2)n1CCCOCC(F)F ZINC001302866352 1067447358 /nfs/dbraw/zinc/44/73/58/1067447358.db2.gz LNKPTKWSJYGFCI-GOSISDBHSA-N 1 1 457.529 3.118 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001304389421 1067448486 /nfs/dbraw/zinc/44/84/86/1067448486.db2.gz MPLNCKCQTLFAFJ-QFIPXVFZSA-N 1 1 495.672 3.152 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001304393117 1067453216 /nfs/dbraw/zinc/45/32/16/1067453216.db2.gz NXOPMYIFMRFXIX-PZJWPPBQSA-N 1 1 454.619 3.316 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304394500 1067455575 /nfs/dbraw/zinc/45/55/75/1067455575.db2.gz FILICQRAGFNZLB-OTWHNJEPSA-N 1 1 479.572 3.286 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304394500 1067455582 /nfs/dbraw/zinc/45/55/82/1067455582.db2.gz FILICQRAGFNZLB-OTWHNJEPSA-N 1 1 479.572 3.286 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302877152 1067459737 /nfs/dbraw/zinc/45/97/37/1067459737.db2.gz SRGKLLYJCSVCAW-UHFFFAOYSA-N 1 1 472.600 3.494 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001302882620 1067464430 /nfs/dbraw/zinc/46/44/30/1067464430.db2.gz KUWRFXZGUHVIPB-XDHUDOTRSA-N 1 1 491.036 3.111 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304402921 1067464655 /nfs/dbraw/zinc/46/46/55/1067464655.db2.gz BNMIDRWGPDZLEX-DHIUTWEWSA-N 1 1 457.619 3.138 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCC(C)(C)O)cc1C ZINC001304405163 1067468298 /nfs/dbraw/zinc/46/82/98/1067468298.db2.gz WGTKTMAEEZJFGG-UHFFFAOYSA-N 1 1 459.635 3.182 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCC(C)(C)O)cc1C ZINC001304405163 1067468304 /nfs/dbraw/zinc/46/83/04/1067468304.db2.gz WGTKTMAEEZJFGG-UHFFFAOYSA-N 1 1 459.635 3.182 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2CCOCC2)cc1 ZINC001304405165 1067468325 /nfs/dbraw/zinc/46/83/25/1067468325.db2.gz WIBIYMPFAUQBOS-OYRHEFFESA-N 1 1 457.619 3.138 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2CCOCC2)cc1 ZINC001304405165 1067468328 /nfs/dbraw/zinc/46/83/28/1067468328.db2.gz WIBIYMPFAUQBOS-OYRHEFFESA-N 1 1 457.619 3.138 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001304406984 1067471158 /nfs/dbraw/zinc/47/11/58/1067471158.db2.gz LGEKZCWSIFBWHX-QHAWAJNXSA-N 1 1 459.660 3.343 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001304408732 1067473903 /nfs/dbraw/zinc/47/39/03/1067473903.db2.gz WPJPPDBTFFFKRF-FDFHNCONSA-N 1 1 457.619 3.016 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001304409245 1067474334 /nfs/dbraw/zinc/47/43/34/1067474334.db2.gz ZFAVAJOPUFOKKT-SIKLNZKXSA-N 1 1 468.646 3.298 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCC(=O)N2)cc1C ZINC001304410581 1067477168 /nfs/dbraw/zinc/47/71/68/1067477168.db2.gz UAFAPCSUKNQYJN-JOCHJYFZSA-N 1 1 468.646 3.309 20 0 JGADMO C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001302896375 1067477422 /nfs/dbraw/zinc/47/74/22/1067477422.db2.gz BVLBXLOVTJSXNS-QFIPXVFZSA-N 1 1 498.672 3.231 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001304411582 1067479579 /nfs/dbraw/zinc/47/95/79/1067479579.db2.gz DLQHAVOYPXDLFP-VWLOTQADSA-N 1 1 489.686 3.219 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)C2CC2)C[C@H](C)O1 ZINC001302901036 1067484081 /nfs/dbraw/zinc/48/40/81/1067484081.db2.gz CRJDTCBRXLQYBC-BGYRXZFFSA-N 1 1 482.673 3.314 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)C2CC2)C[C@H](C)O1 ZINC001302901036 1067484085 /nfs/dbraw/zinc/48/40/85/1067484085.db2.gz CRJDTCBRXLQYBC-BGYRXZFFSA-N 1 1 482.673 3.314 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)O)C[C@H](C)O1 ZINC001302901193 1067484457 /nfs/dbraw/zinc/48/44/57/1067484457.db2.gz FRZQOZZWJRFKGS-GASCZTMLSA-N 1 1 484.414 3.163 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)O)C[C@H](C)O1 ZINC001302901193 1067484458 /nfs/dbraw/zinc/48/44/58/1067484458.db2.gz FRZQOZZWJRFKGS-GASCZTMLSA-N 1 1 484.414 3.163 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(C)(C)C)n3CCCOC3CCOCC3)CC2)C[C@H](C)O1 ZINC001302901044 1067484549 /nfs/dbraw/zinc/48/45/49/1067484549.db2.gz DAPBKAMWSFLBRT-OYRHEFFESA-N 1 1 477.694 3.487 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001304414695 1067484776 /nfs/dbraw/zinc/48/47/76/1067484776.db2.gz IUXNMVSEGBKUCX-JOCHJYFZSA-N 1 1 468.646 3.263 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CCCCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001302901761 1067485328 /nfs/dbraw/zinc/48/53/28/1067485328.db2.gz OEJYSUZOBNGBMR-OYRHEFFESA-N 1 1 497.750 3.407 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001304416103 1067487690 /nfs/dbraw/zinc/48/76/90/1067487690.db2.gz WCTQOICVUMRTQS-UHFFFAOYSA-N 1 1 481.601 3.428 20 0 JGADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCCS(=O)(=O)c1ccccc1 ZINC001302902795 1067488082 /nfs/dbraw/zinc/48/80/82/1067488082.db2.gz PJGYFKMPCNJYCY-FQEVSTJZSA-N 1 1 489.686 3.129 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCCS(=O)(=O)c1ccccc1 ZINC001302902795 1067488083 /nfs/dbraw/zinc/48/80/83/1067488083.db2.gz PJGYFKMPCNJYCY-FQEVSTJZSA-N 1 1 489.686 3.129 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302904868 1067489108 /nfs/dbraw/zinc/48/91/08/1067489108.db2.gz BLBWWLQYWHVFNE-HHJKRLRDSA-N 1 1 485.032 3.447 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302904868 1067489117 /nfs/dbraw/zinc/48/91/17/1067489117.db2.gz BLBWWLQYWHVFNE-HHJKRLRDSA-N 1 1 485.032 3.447 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCC(=O)N(C)C)cc1C ZINC001304416983 1067489280 /nfs/dbraw/zinc/48/92/80/1067489280.db2.gz RJYCDXXVMWFUEV-UHFFFAOYSA-N 1 1 468.646 3.407 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2CCc2ccccc2OC(F)F)C[C@H](C)O1 ZINC001302905075 1067489648 /nfs/dbraw/zinc/48/96/48/1067489648.db2.gz GDLCXCFTNAEPDE-HDICACEKSA-N 1 1 487.555 3.125 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2CCc2ccccc2OC(F)F)C[C@H](C)O1 ZINC001302905075 1067489652 /nfs/dbraw/zinc/48/96/52/1067489652.db2.gz GDLCXCFTNAEPDE-HDICACEKSA-N 1 1 487.555 3.125 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCCC3)n2CC(=O)N(C)Cc2ccccc2)C[C@H](C)O1 ZINC001302905078 1067489811 /nfs/dbraw/zinc/48/98/11/1067489811.db2.gz GFFZDHXGWBTYOP-OYRHEFFESA-N 1 1 468.646 3.140 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCCC3)n2CC(=O)N(C)Cc2ccccc2)C[C@H](C)O1 ZINC001302905078 1067489814 /nfs/dbraw/zinc/48/98/14/1067489814.db2.gz GFFZDHXGWBTYOP-OYRHEFFESA-N 1 1 468.646 3.140 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302905950 1067490785 /nfs/dbraw/zinc/49/07/85/1067490785.db2.gz WJFXZFNDHFXKTE-BVVSVSJTSA-N 1 1 463.667 3.396 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302905950 1067490789 /nfs/dbraw/zinc/49/07/89/1067490789.db2.gz WJFXZFNDHFXKTE-BVVSVSJTSA-N 1 1 463.667 3.396 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCOCC(F)F)cc1C ZINC001304417791 1067490891 /nfs/dbraw/zinc/49/08/91/1067490891.db2.gz CJZPKNWESOKQHC-FQEVSTJZSA-N 1 1 493.599 3.445 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC001302905707 1067490932 /nfs/dbraw/zinc/49/09/32/1067490932.db2.gz VHCWXOJNPINHCY-KDURUIRLSA-N 1 1 495.594 3.160 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC001302905707 1067490936 /nfs/dbraw/zinc/49/09/36/1067490936.db2.gz VHCWXOJNPINHCY-KDURUIRLSA-N 1 1 495.594 3.160 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC=CCO2)C[C@H](C)O1 ZINC001302906918 1067491783 /nfs/dbraw/zinc/49/17/83/1067491783.db2.gz BVQGAGGOUNVUMD-OTWHNJEPSA-N 1 1 461.557 3.038 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC=CCO2)C[C@H](C)O1 ZINC001302906918 1067491789 /nfs/dbraw/zinc/49/17/89/1067491789.db2.gz BVQGAGGOUNVUMD-OTWHNJEPSA-N 1 1 461.557 3.038 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC3CC3)n2C[C@](C)(O)c2ccccc2Cl)C[C@H](C)O1 ZINC001302907804 1067492486 /nfs/dbraw/zinc/49/24/86/1067492486.db2.gz HXPZGXRGRSITIY-RHGYRFJNSA-N 1 1 462.038 3.337 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC3CC3)n2C[C@](C)(O)c2ccccc2Cl)C[C@H](C)O1 ZINC001302907804 1067492487 /nfs/dbraw/zinc/49/24/87/1067492487.db2.gz HXPZGXRGRSITIY-RHGYRFJNSA-N 1 1 462.038 3.337 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccn3)n2Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC001302909429 1067494565 /nfs/dbraw/zinc/49/45/65/1067494565.db2.gz SNJMZGXMGJTRDX-HDICACEKSA-N 1 1 456.541 3.136 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccn3)n2Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC001302909429 1067494568 /nfs/dbraw/zinc/49/45/68/1067494568.db2.gz SNJMZGXMGJTRDX-HDICACEKSA-N 1 1 456.541 3.136 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001304421725 1067497708 /nfs/dbraw/zinc/49/77/08/1067497708.db2.gz GEWSQNUAWHCTLB-NHCUHLMSSA-N 1 1 459.660 3.262 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302922200 1067502136 /nfs/dbraw/zinc/50/21/36/1067502136.db2.gz BDNGCXKVNPHILD-GGAORHGYSA-N 1 1 488.702 3.001 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304427472 1067504412 /nfs/dbraw/zinc/50/44/12/1067504412.db2.gz FGLOHSWCEBVSBQ-OYRHEFFESA-N 1 1 481.645 3.390 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302928266 1067505945 /nfs/dbraw/zinc/50/59/45/1067505945.db2.gz DNUHEENUUZOXNW-LEWJYISDSA-N 1 1 462.683 3.203 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304428490 1067505963 /nfs/dbraw/zinc/50/59/63/1067505963.db2.gz ISFHKEJPBUIHMT-VWNXMTODSA-N 1 1 471.646 3.353 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302933637 1067508498 /nfs/dbraw/zinc/50/84/98/1067508498.db2.gz OBTPEZSJVSDDDF-QFIPXVFZSA-N 1 1 488.702 3.247 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001302937506 1067510964 /nfs/dbraw/zinc/51/09/64/1067510964.db2.gz MEWGJXDUMXMEMI-UHFFFAOYSA-N 1 1 496.553 3.216 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001302937506 1067510970 /nfs/dbraw/zinc/51/09/70/1067510970.db2.gz MEWGJXDUMXMEMI-UHFFFAOYSA-N 1 1 496.553 3.216 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001302937799 1067511437 /nfs/dbraw/zinc/51/14/37/1067511437.db2.gz CHRJRDPVPOPSJC-RTWAWAEBSA-N 1 1 460.692 3.390 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001304434382 1067513575 /nfs/dbraw/zinc/51/35/75/1067513575.db2.gz MGGHEOROTALFRM-FQEVSTJZSA-N 1 1 477.700 3.377 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC001304434382 1067513582 /nfs/dbraw/zinc/51/35/82/1067513582.db2.gz MGGHEOROTALFRM-FQEVSTJZSA-N 1 1 477.700 3.377 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001304434543 1067513975 /nfs/dbraw/zinc/51/39/75/1067513975.db2.gz WNAOOEDVKHJVAJ-PCCBWWKXSA-N 1 1 459.660 3.339 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302940317 1067514565 /nfs/dbraw/zinc/51/45/65/1067514565.db2.gz ZGFHMBJSOHZJJG-NRFANRHFSA-N 1 1 468.646 3.265 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001304436916 1067515625 /nfs/dbraw/zinc/51/56/25/1067515625.db2.gz JOVOJTGJGBBHPN-UHFFFAOYSA-N 1 1 467.643 3.389 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302943344 1067516261 /nfs/dbraw/zinc/51/62/61/1067516261.db2.gz DYQAEUODGICJJH-XMMPIXPASA-N 1 1 466.674 3.488 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001304437336 1067516529 /nfs/dbraw/zinc/51/65/29/1067516529.db2.gz NOAAAETZSAOQBZ-HXUWFJFHSA-N 1 1 494.656 3.234 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001304437335 1067516573 /nfs/dbraw/zinc/51/65/73/1067516573.db2.gz NOAAAETZSAOQBZ-FQEVSTJZSA-N 1 1 494.656 3.234 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001304437803 1067517184 /nfs/dbraw/zinc/51/71/84/1067517184.db2.gz UDHOYXLWQTWVKD-NRFANRHFSA-N 1 1 486.686 3.095 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001302945533 1067518541 /nfs/dbraw/zinc/51/85/41/1067518541.db2.gz HKOKAGRBWPMYLG-RBUKOAKNSA-N 1 1 457.623 3.381 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302947787 1067520948 /nfs/dbraw/zinc/52/09/48/1067520948.db2.gz VQJITNJOSOWZPZ-LEWJYISDSA-N 1 1 478.682 3.279 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCOC[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304440632 1067521559 /nfs/dbraw/zinc/52/15/59/1067521559.db2.gz KPPJXJRKIYUEKY-IRLDBZIGSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001304441441 1067522240 /nfs/dbraw/zinc/52/22/40/1067522240.db2.gz VFTTYGVZVLXIAK-NRFANRHFSA-N 1 1 469.659 3.321 20 0 JGADMO FC(F)COCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302948772 1067522325 /nfs/dbraw/zinc/52/23/25/1067522325.db2.gz RBKYWXVKCXJMQY-OAHLLOKOSA-N 1 1 476.355 3.445 20 0 JGADMO FC(F)COCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302948772 1067522329 /nfs/dbraw/zinc/52/23/29/1067522329.db2.gz RBKYWXVKCXJMQY-OAHLLOKOSA-N 1 1 476.355 3.445 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001302948897 1067522354 /nfs/dbraw/zinc/52/23/54/1067522354.db2.gz VRBPWXFUWBUAGB-FYYLOGMGSA-N 1 1 452.647 3.446 20 0 JGADMO FC(F)COCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302948770 1067522413 /nfs/dbraw/zinc/52/24/13/1067522413.db2.gz RBKYWXVKCXJMQY-HNNXBMFYSA-N 1 1 476.355 3.445 20 0 JGADMO FC(F)COCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302948770 1067522419 /nfs/dbraw/zinc/52/24/19/1067522419.db2.gz RBKYWXVKCXJMQY-HNNXBMFYSA-N 1 1 476.355 3.445 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302948987 1067522731 /nfs/dbraw/zinc/52/27/31/1067522731.db2.gz WMALDLNCSVLJEO-CEXWTWQISA-N 1 1 460.589 3.049 20 0 JGADMO Cc1cccc(C(=O)NCCn2c(Cc3ccsc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001304442433 1067523767 /nfs/dbraw/zinc/52/37/67/1067523767.db2.gz KAJOQVHYIAETRS-UHFFFAOYSA-N 1 1 496.681 3.216 20 0 JGADMO Cc1cccc(C(=O)NCCn2c(Cc3ccsc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001304442433 1067523774 /nfs/dbraw/zinc/52/37/74/1067523774.db2.gz KAJOQVHYIAETRS-UHFFFAOYSA-N 1 1 496.681 3.216 20 0 JGADMO FC(F)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302952389 1067524858 /nfs/dbraw/zinc/52/48/58/1067524858.db2.gz CGLBPSNEDRWYTN-INIZCTEOSA-N 1 1 455.937 3.039 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302955334 1067527505 /nfs/dbraw/zinc/52/75/05/1067527505.db2.gz NYZYFHAHJBLLCV-HXUWFJFHSA-N 1 1 458.626 3.442 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302955334 1067527512 /nfs/dbraw/zinc/52/75/12/1067527512.db2.gz NYZYFHAHJBLLCV-HXUWFJFHSA-N 1 1 458.626 3.442 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302958777 1067530453 /nfs/dbraw/zinc/53/04/53/1067530453.db2.gz JCGYISVDURBFIG-HSZRJFAPSA-N 1 1 487.737 3.122 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001304452779 1067534043 /nfs/dbraw/zinc/53/40/43/1067534043.db2.gz GQXFFQVRAYFZFX-UHFFFAOYSA-N 1 1 467.524 3.264 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[C@H]1CCCCO1 ZINC001302965347 1067535367 /nfs/dbraw/zinc/53/53/67/1067535367.db2.gz RHGPQJQNRGKXOY-DNQXCXABSA-N 1 1 476.710 3.057 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001302965725 1067535793 /nfs/dbraw/zinc/53/57/93/1067535793.db2.gz ULTDBTYIBUCBHA-JOCHJYFZSA-N 1 1 476.616 3.034 20 0 JGADMO Fc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001302970715 1067539072 /nfs/dbraw/zinc/53/90/72/1067539072.db2.gz WNANRTNYHKERIX-UHFFFAOYSA-N 1 1 471.499 3.497 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@]2(O)CCCC2(C)C)n1 ZINC001304460303 1067539727 /nfs/dbraw/zinc/53/97/27/1067539727.db2.gz RNUWELJNJGMTDM-RUZDIDTESA-N 1 1 456.635 3.137 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@]2(O)CCCC2(C)C)n1 ZINC001304460303 1067539735 /nfs/dbraw/zinc/53/97/35/1067539735.db2.gz RNUWELJNJGMTDM-RUZDIDTESA-N 1 1 456.635 3.137 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302973167 1067540123 /nfs/dbraw/zinc/54/01/23/1067540123.db2.gz XNZQRBYVHZNXOT-XMMPIXPASA-N 1 1 454.663 3.156 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302972542 1067540316 /nfs/dbraw/zinc/54/03/16/1067540316.db2.gz POANNPBLCZSFHF-NLFFAJNJSA-N 1 1 457.667 3.473 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001304462629 1067541093 /nfs/dbraw/zinc/54/10/93/1067541093.db2.gz YJDLFDIWMAWWNX-IBGZPJMESA-N 1 1 454.550 3.024 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001304463701 1067541869 /nfs/dbraw/zinc/54/18/69/1067541869.db2.gz GYJRNHUCZFWWDZ-GHTZIAJQSA-N 1 1 499.660 3.109 20 0 JGADMO Cc1cccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304464105 1067542262 /nfs/dbraw/zinc/54/22/62/1067542262.db2.gz JAXPRUKJWJLKGG-LEWJYISDSA-N 1 1 461.614 3.226 20 0 JGADMO Cc1cccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304464109 1067542459 /nfs/dbraw/zinc/54/24/59/1067542459.db2.gz JAXPRUKJWJLKGG-RTWAWAEBSA-N 1 1 461.614 3.226 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001304468485 1067547217 /nfs/dbraw/zinc/54/72/17/1067547217.db2.gz FPFQMXVLIZXLQY-UHFFFAOYSA-N 1 1 450.591 3.116 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001304472712 1067550958 /nfs/dbraw/zinc/55/09/58/1067550958.db2.gz PGBFNBAXDYOMSU-HXUWFJFHSA-N 1 1 464.618 3.232 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001302990448 1067552026 /nfs/dbraw/zinc/55/20/26/1067552026.db2.gz FFXXPSCATPLMPE-NJYVYQBISA-N 1 1 488.702 3.208 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304475792 1067554065 /nfs/dbraw/zinc/55/40/65/1067554065.db2.gz RFJOQNJBQBLQLV-HXUWFJFHSA-N 1 1 482.654 3.182 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304478230 1067556760 /nfs/dbraw/zinc/55/67/60/1067556760.db2.gz XZWIHRWKZCIKJB-SVFBPWRDSA-N 1 1 453.635 3.074 20 0 JGADMO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304478353 1067556976 /nfs/dbraw/zinc/55/69/76/1067556976.db2.gz CMGHWDGMPRULHH-GOSISDBHSA-N 1 1 465.568 3.455 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001304478806 1067557607 /nfs/dbraw/zinc/55/76/07/1067557607.db2.gz LWBNIJFRPKWHKB-UNMCSNQZSA-N 1 1 467.662 3.462 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001304479215 1067558405 /nfs/dbraw/zinc/55/84/05/1067558405.db2.gz UEMJKHYSYYYWQU-FQEVSTJZSA-N 1 1 499.660 3.205 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCNC(=O)OC(C)(C)C)n1 ZINC001304479396 1067558634 /nfs/dbraw/zinc/55/86/34/1067558634.db2.gz SYQMYZDVLHICCR-UHFFFAOYSA-N 1 1 457.623 3.484 20 0 JGADMO Cc1cccc(CC2(O)CCN(c3nnc([C@@H]4CCOC4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001304483876 1067563333 /nfs/dbraw/zinc/56/33/33/1067563333.db2.gz YAHCVAJAYOLUAH-HSZRJFAPSA-N 1 1 455.647 3.395 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303009775 1067564476 /nfs/dbraw/zinc/56/44/76/1067564476.db2.gz RWUGOGANJAQQIR-SANMLTNESA-N 1 1 495.676 3.419 20 0 JGADMO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC001304489094 1067567457 /nfs/dbraw/zinc/56/74/57/1067567457.db2.gz CFJHYRTYAKNVJR-FCHUYYIVSA-N 1 1 467.662 3.453 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2cccc(C)n2)cs1 ZINC001304493735 1067570750 /nfs/dbraw/zinc/57/07/50/1067570750.db2.gz RPYICKFCCMUIAT-KDURUIRLSA-N 1 1 469.659 3.125 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2cccc(C)n2)cs1 ZINC001304493735 1067570752 /nfs/dbraw/zinc/57/07/52/1067570752.db2.gz RPYICKFCCMUIAT-KDURUIRLSA-N 1 1 469.659 3.125 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)CC2)c1 ZINC001304497012 1067572822 /nfs/dbraw/zinc/57/28/22/1067572822.db2.gz AKYHVUJODMXPDO-UHFFFAOYSA-N 1 1 467.706 3.133 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CC2)c1 ZINC001304497012 1067572829 /nfs/dbraw/zinc/57/28/29/1067572829.db2.gz AKYHVUJODMXPDO-UHFFFAOYSA-N 1 1 467.706 3.133 20 0 JGADMO Cc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)CC2)c1 ZINC001304497992 1067573489 /nfs/dbraw/zinc/57/34/89/1067573489.db2.gz KOCHGRXIVUISSE-UHFFFAOYSA-N 1 1 453.679 3.237 20 0 JGADMO Cc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)CC2)c1 ZINC001304497992 1067573495 /nfs/dbraw/zinc/57/34/95/1067573495.db2.gz KOCHGRXIVUISSE-UHFFFAOYSA-N 1 1 453.679 3.237 20 0 JGADMO Cc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)CC2)c1 ZINC001304497992 1067573501 /nfs/dbraw/zinc/57/35/01/1067573501.db2.gz KOCHGRXIVUISSE-UHFFFAOYSA-N 1 1 453.679 3.237 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303021820 1067573814 /nfs/dbraw/zinc/57/38/14/1067573814.db2.gz MKXOOFQFVAGNQC-IECBHUPTSA-N 1 1 474.675 3.130 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304502711 1067577052 /nfs/dbraw/zinc/57/70/52/1067577052.db2.gz KTRLOFJCRVANAH-IRLDBZIGSA-N 1 1 459.660 3.464 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001304504099 1067578429 /nfs/dbraw/zinc/57/84/29/1067578429.db2.gz RDHKEJVMYBXFOU-HXUWFJFHSA-N 1 1 454.619 3.132 20 0 JGADMO CC(C)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001303039986 1067585192 /nfs/dbraw/zinc/58/51/92/1067585192.db2.gz BJJBXAFUDADPMG-ICSRJNTNSA-N 1 1 454.685 3.168 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001304512458 1067589241 /nfs/dbraw/zinc/58/92/41/1067589241.db2.gz PLIDKNCYJQFGPT-FGZHOGPDSA-N 1 1 468.646 3.343 20 0 JGADMO CC(C)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303049111 1067590352 /nfs/dbraw/zinc/59/03/52/1067590352.db2.gz CQUBNUUSCPAZSJ-FCHUYYIVSA-N 1 1 459.660 3.327 20 0 JGADMO CC(C)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303049111 1067590357 /nfs/dbraw/zinc/59/03/57/1067590357.db2.gz CQUBNUUSCPAZSJ-FCHUYYIVSA-N 1 1 459.660 3.327 20 0 JGADMO CC(C)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303049116 1067590532 /nfs/dbraw/zinc/59/05/32/1067590532.db2.gz CQUBNUUSCPAZSJ-YADHBBJMSA-N 1 1 459.660 3.327 20 0 JGADMO CC(C)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303049116 1067590538 /nfs/dbraw/zinc/59/05/38/1067590538.db2.gz CQUBNUUSCPAZSJ-YADHBBJMSA-N 1 1 459.660 3.327 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001304513808 1067591095 /nfs/dbraw/zinc/59/10/95/1067591095.db2.gz DQXALFCQLJYAFX-LEWJYISDSA-N 1 1 459.660 3.344 20 0 JGADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001303050677 1067591204 /nfs/dbraw/zinc/59/12/04/1067591204.db2.gz XDRUSLWMVLCFJX-QGZVFWFLSA-N 1 1 459.940 3.303 20 0 JGADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001304516551 1067592631 /nfs/dbraw/zinc/59/26/31/1067592631.db2.gz ZVDAEOGHOCAGBT-BHIFYINESA-N 1 1 457.619 3.016 20 0 JGADMO CC(=O)c1ccc(Nc2ccccc2C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001303054885 1067594076 /nfs/dbraw/zinc/59/40/76/1067594076.db2.gz XQNRGVFRSNXQKL-HSZRJFAPSA-N 1 1 450.583 3.159 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304528690 1067600766 /nfs/dbraw/zinc/60/07/66/1067600766.db2.gz NRWLEVVUTHLMSG-NRFANRHFSA-N 1 1 468.646 3.057 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304528690 1067600767 /nfs/dbraw/zinc/60/07/67/1067600767.db2.gz NRWLEVVUTHLMSG-NRFANRHFSA-N 1 1 468.646 3.057 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304532916 1067604001 /nfs/dbraw/zinc/60/40/01/1067604001.db2.gz AHKDANKBFTUWCP-FCHUYYIVSA-N 1 1 482.673 3.353 20 0 JGADMO CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303069811 1067604572 /nfs/dbraw/zinc/60/45/72/1067604572.db2.gz UNWCNVJYCQIKLX-VQIMIIECSA-N 1 1 465.440 3.249 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001304547599 1067616812 /nfs/dbraw/zinc/61/68/12/1067616812.db2.gz IWXGDEJDIGVVRT-LVXARBLLSA-N 1 1 455.647 3.275 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001304547599 1067616817 /nfs/dbraw/zinc/61/68/17/1067616817.db2.gz IWXGDEJDIGVVRT-LVXARBLLSA-N 1 1 455.647 3.275 20 0 JGADMO Cc1ccccc1Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001304548999 1067618142 /nfs/dbraw/zinc/61/81/42/1067618142.db2.gz AYLPTSRDKRZNJZ-QZNHQXDQSA-N 1 1 498.672 3.247 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCC[N@H+](C)C(C)C ZINC001304551003 1067620346 /nfs/dbraw/zinc/62/03/46/1067620346.db2.gz MOEGZHUTYUMOLW-AREMUKBSSA-N 1 1 454.663 3.209 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304551014 1067620505 /nfs/dbraw/zinc/62/05/05/1067620505.db2.gz NSULYPPXYQNCRE-QHCPKHFHSA-N 1 1 496.700 3.373 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001304552921 1067622541 /nfs/dbraw/zinc/62/25/41/1067622541.db2.gz MCWLVDTURZCVAO-RUZDIDTESA-N 1 1 496.700 3.107 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001304556875 1067625629 /nfs/dbraw/zinc/62/56/29/1067625629.db2.gz NNVUKJQPMVMAEU-LSWJPFSZSA-N 1 1 473.687 3.311 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556775 1067625664 /nfs/dbraw/zinc/62/56/64/1067625664.db2.gz NUXKCQTYTMZACL-VXKWHMMOSA-N 1 1 473.687 3.313 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556773 1067625681 /nfs/dbraw/zinc/62/56/81/1067625681.db2.gz NUXKCQTYTMZACL-FGZHOGPDSA-N 1 1 473.687 3.313 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556771 1067625712 /nfs/dbraw/zinc/62/57/12/1067625712.db2.gz NUXKCQTYTMZACL-FCHUYYIVSA-N 1 1 473.687 3.313 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001304558215 1067626801 /nfs/dbraw/zinc/62/68/01/1067626801.db2.gz XKQSFGOHEQJPOV-OAQYLSRUSA-N 1 1 452.647 3.391 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001303090822 1067627455 /nfs/dbraw/zinc/62/74/55/1067627455.db2.gz FAVBZFNRPRIRKI-SANMLTNESA-N 1 1 464.614 3.468 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001303090821 1067627470 /nfs/dbraw/zinc/62/74/70/1067627470.db2.gz FAVBZFNRPRIRKI-AREMUKBSSA-N 1 1 464.614 3.468 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCNC(=O)C(C)C ZINC001304559349 1067628378 /nfs/dbraw/zinc/62/83/78/1067628378.db2.gz JUFOJDCHVONJAX-HXUWFJFHSA-N 1 1 452.647 3.260 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CC(=O)N(C)C)cc1 ZINC001303094763 1067631348 /nfs/dbraw/zinc/63/13/48/1067631348.db2.gz JDGVSRKAOZILIT-PZJWPPBQSA-N 1 1 454.619 3.131 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CC(=O)N(C)C)cc1 ZINC001303094764 1067631474 /nfs/dbraw/zinc/63/14/74/1067631474.db2.gz JDGVSRKAOZILIT-TZIWHRDSSA-N 1 1 454.619 3.131 20 0 JGADMO Cc1ccccc1CCn1c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001304565012 1067634861 /nfs/dbraw/zinc/63/48/61/1067634861.db2.gz XTORXQYLPJWODN-UHFFFAOYSA-N 1 1 452.647 3.261 20 0 JGADMO Cc1ccccc1CCn1c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001304565012 1067634865 /nfs/dbraw/zinc/63/48/65/1067634865.db2.gz XTORXQYLPJWODN-UHFFFAOYSA-N 1 1 452.647 3.261 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001303099847 1067637902 /nfs/dbraw/zinc/63/79/02/1067637902.db2.gz BEGGZKNJGBVXAY-LEWJYISDSA-N 1 1 468.646 3.427 20 0 JGADMO CC(C)CCOC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCSCC2)CC1 ZINC001303101257 1067639525 /nfs/dbraw/zinc/63/95/25/1067639525.db2.gz XOCVSPSMXJCIIE-UHFFFAOYSA-N 1 1 487.674 3.006 20 0 JGADMO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001304571338 1067639567 /nfs/dbraw/zinc/63/95/67/1067639567.db2.gz ZCZJCBSVTPJTKG-HSZRJFAPSA-N 1 1 495.697 3.411 20 0 JGADMO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001304572436 1067641150 /nfs/dbraw/zinc/64/11/50/1067641150.db2.gz GXJYCHKYIOWVGF-FCHUYYIVSA-N 1 1 482.673 3.385 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001303102552 1067641358 /nfs/dbraw/zinc/64/13/58/1067641358.db2.gz SSMFXZKPFZAVSV-FCHUYYIVSA-N 1 1 463.667 3.172 20 0 JGADMO CC(C)CCOC1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001303109168 1067646955 /nfs/dbraw/zinc/64/69/55/1067646955.db2.gz DLVFSYFHRZWDBC-UHFFFAOYSA-N 1 1 470.662 3.406 20 0 JGADMO CC(C)CCOC1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001303109168 1067646958 /nfs/dbraw/zinc/64/69/58/1067646958.db2.gz DLVFSYFHRZWDBC-UHFFFAOYSA-N 1 1 470.662 3.406 20 0 JGADMO CC(C)CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001303109854 1067647794 /nfs/dbraw/zinc/64/77/94/1067647794.db2.gz NRLWIYQYIPQYOS-UHFFFAOYSA-N 1 1 460.667 3.422 20 0 JGADMO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303110379 1067648535 /nfs/dbraw/zinc/64/85/35/1067648535.db2.gz UMJLNMRQWRUHJN-UXHICEINSA-N 1 1 455.607 3.051 20 0 JGADMO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303110380 1067648612 /nfs/dbraw/zinc/64/86/12/1067648612.db2.gz UMJLNMRQWRUHJN-VQTJNVASSA-N 1 1 455.607 3.051 20 0 JGADMO CC(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303117316 1067654476 /nfs/dbraw/zinc/65/44/76/1067654476.db2.gz CEGLPDOBTGMVTB-AZUAARDMSA-N 1 1 463.026 3.213 20 0 JGADMO Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC001304600601 1067664528 /nfs/dbraw/zinc/66/45/28/1067664528.db2.gz PHAXLEHYFUQPFS-OAQYLSRUSA-N 1 1 456.683 3.239 20 0 JGADMO Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)C2)c1 ZINC001304600601 1067664533 /nfs/dbraw/zinc/66/45/33/1067664533.db2.gz PHAXLEHYFUQPFS-OAQYLSRUSA-N 1 1 456.683 3.239 20 0 JGADMO Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)C2)c1 ZINC001304600601 1067664538 /nfs/dbraw/zinc/66/45/38/1067664538.db2.gz PHAXLEHYFUQPFS-OAQYLSRUSA-N 1 1 456.683 3.239 20 0 JGADMO CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303138384 1067678999 /nfs/dbraw/zinc/67/89/99/1067678999.db2.gz BYRGIEYAQZKKEK-NRFANRHFSA-N 1 1 478.682 3.332 20 0 JGADMO Cc1cnc(C2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+](C)C3CCCC3)CC2)s1 ZINC001304611646 1067679121 /nfs/dbraw/zinc/67/91/21/1067679121.db2.gz PXBQFRRJHWGGIG-UHFFFAOYSA-N 1 1 459.664 3.440 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(C2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001303144705 1067683883 /nfs/dbraw/zinc/68/38/83/1067683883.db2.gz UFWDMYOETHZHKJ-FQEVSTJZSA-N 1 1 472.600 3.247 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303144977 1067684263 /nfs/dbraw/zinc/68/42/63/1067684263.db2.gz XBULAWWQWAHFLS-GOSISDBHSA-N 1 1 484.542 3.005 20 0 JGADMO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C(C)C ZINC001303146566 1067684833 /nfs/dbraw/zinc/68/48/33/1067684833.db2.gz KZYWLHMCWYXZIB-XMMPIXPASA-N 1 1 482.673 3.390 20 0 JGADMO CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC001303146929 1067685300 /nfs/dbraw/zinc/68/53/00/1067685300.db2.gz ZLDWYTHRHDWQTA-FQEVSTJZSA-N 1 1 469.634 3.299 20 0 JGADMO Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+](C)C3CCCC3)C2)n1 ZINC001304621329 1067690161 /nfs/dbraw/zinc/69/01/61/1067690161.db2.gz UKIPKKWLOYABMS-SFHVURJKSA-N 1 1 459.664 3.440 20 0 JGADMO Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)C2)n1 ZINC001304621137 1067690180 /nfs/dbraw/zinc/69/01/80/1067690180.db2.gz SJERWHJQCWRMPL-WOJBJXKFSA-N 1 1 489.690 3.066 20 0 JGADMO CC(C)CN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001303154529 1067691975 /nfs/dbraw/zinc/69/19/75/1067691975.db2.gz SNKMFGRUMQMBPC-FQEVSTJZSA-N 1 1 481.645 3.031 20 0 JGADMO CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001303167696 1067702891 /nfs/dbraw/zinc/70/28/91/1067702891.db2.gz NVHHMPPMHDUDEG-HBMCJLEFSA-N 1 1 476.666 3.206 20 0 JGADMO Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001304635451 1067704328 /nfs/dbraw/zinc/70/43/28/1067704328.db2.gz URQDXLWYIKTUFW-LJQANCHMSA-N 1 1 461.680 3.024 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)C1 ZINC001303172159 1067704810 /nfs/dbraw/zinc/70/48/10/1067704810.db2.gz BAOBZXZJVHFGAQ-UXHICEINSA-N 1 1 466.696 3.027 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001303172419 1067705452 /nfs/dbraw/zinc/70/54/52/1067705452.db2.gz GEPDTRYZHMLYJK-RTBURBONSA-N 1 1 465.639 3.322 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001303172417 1067705609 /nfs/dbraw/zinc/70/56/09/1067705609.db2.gz GEPDTRYZHMLYJK-OALUTQOASA-N 1 1 465.639 3.322 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303172598 1067705940 /nfs/dbraw/zinc/70/59/40/1067705940.db2.gz JUOYQFMZGSWJRG-GOSISDBHSA-N 1 1 476.572 3.193 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303172538 1067706016 /nfs/dbraw/zinc/70/60/16/1067706016.db2.gz ISWSIUNDYXDGKD-MOPGFXCFSA-N 1 1 495.594 3.156 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001303172758 1067706618 /nfs/dbraw/zinc/70/66/18/1067706618.db2.gz MTYIHQZJUAXSGC-IBGZPJMESA-N 1 1 474.053 3.453 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001303172759 1067706637 /nfs/dbraw/zinc/70/66/37/1067706637.db2.gz MTYIHQZJUAXSGC-LJQANCHMSA-N 1 1 474.053 3.453 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@H](C)C2)C1 ZINC001303173544 1067707484 /nfs/dbraw/zinc/70/74/84/1067707484.db2.gz RZNDTWABFRWKNR-RTWAWAEBSA-N 1 1 488.702 3.410 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001303174292 1067707950 /nfs/dbraw/zinc/70/79/50/1067707950.db2.gz XFTCZTIFSQRWGE-OALUTQOASA-N 1 1 457.648 3.235 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(F)(F)F)C1 ZINC001303174649 1067708015 /nfs/dbraw/zinc/70/80/15/1067708015.db2.gz ZZDUXRDIGPPMQT-INIZCTEOSA-N 1 1 453.513 3.292 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCCC3)C2)C1 ZINC001303174362 1067708113 /nfs/dbraw/zinc/70/81/13/1067708113.db2.gz XTOHRPFNGXIUMK-LEWJYISDSA-N 1 1 480.723 3.417 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001303176711 1067709680 /nfs/dbraw/zinc/70/96/80/1067709680.db2.gz FGPVSJAFRHVXLK-URVUXULASA-N 1 1 489.686 3.451 20 0 JGADMO CC(C)CN1C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CCN2C1=O ZINC001303177029 1067709817 /nfs/dbraw/zinc/70/98/17/1067709817.db2.gz TZDSLOYNACPHHZ-SFTDATJTSA-N 1 1 459.683 3.278 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001303178503 1067711389 /nfs/dbraw/zinc/71/13/89/1067711389.db2.gz MBPPOCRZRIAMFP-QHCPKHFHSA-N 1 1 483.705 3.179 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001303178512 1067711470 /nfs/dbraw/zinc/71/14/70/1067711470.db2.gz MFJPPDZICPJVKD-GQNXPXPTSA-N 1 1 474.694 3.266 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001303178502 1067711619 /nfs/dbraw/zinc/71/16/19/1067711619.db2.gz MBPPOCRZRIAMFP-HSZRJFAPSA-N 1 1 483.705 3.179 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303178839 1067712471 /nfs/dbraw/zinc/71/24/71/1067712471.db2.gz OFJAOZGGBCMUQH-JTHBVZDNSA-N 1 1 488.702 3.035 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001303179377 1067713197 /nfs/dbraw/zinc/71/31/97/1067713197.db2.gz UWGMXTJGHBTUEB-ZZLPTCMGSA-N 1 1 474.694 3.232 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001303179446 1067713252 /nfs/dbraw/zinc/71/32/52/1067713252.db2.gz WBIRAULTEMACPG-RPWUZVMVSA-N 1 1 470.662 3.262 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001303179457 1067713708 /nfs/dbraw/zinc/71/37/08/1067713708.db2.gz WFSZEVMIJMGIAX-GOTSBHOMSA-N 1 1 473.687 3.055 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)[C@H](C)C1=O ZINC001303182613 1067714769 /nfs/dbraw/zinc/71/47/69/1067714769.db2.gz CMMALEUHNAUGMX-QZTJIDSGSA-N 1 1 493.027 3.151 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)[C@H](C)C1=O ZINC001303182613 1067714778 /nfs/dbraw/zinc/71/47/78/1067714778.db2.gz CMMALEUHNAUGMX-QZTJIDSGSA-N 1 1 493.027 3.151 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001303184385 1067717576 /nfs/dbraw/zinc/71/75/76/1067717576.db2.gz LWYHFZWSSVMQRG-UHFFFAOYSA-N 1 1 466.051 3.344 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1=O ZINC001303185223 1067719659 /nfs/dbraw/zinc/71/96/59/1067719659.db2.gz WJOGXFSNGUFWSQ-HXUWFJFHSA-N 1 1 489.064 3.404 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304656045 1067724185 /nfs/dbraw/zinc/72/41/85/1067724185.db2.gz FLJUNFUDKGETOD-VQTJNVASSA-N 1 1 489.734 3.301 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCN(C)c2ccccc2)cs1 ZINC001304656337 1067724685 /nfs/dbraw/zinc/72/46/85/1067724685.db2.gz ILOWFUFCBKDOMI-BGYRXZFFSA-N 1 1 483.686 3.316 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCN(C)c2ccccc2)cs1 ZINC001304656337 1067724691 /nfs/dbraw/zinc/72/46/91/1067724691.db2.gz ILOWFUFCBKDOMI-BGYRXZFFSA-N 1 1 483.686 3.316 20 0 JGADMO CC(C)CN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1=O ZINC001303190887 1067724905 /nfs/dbraw/zinc/72/49/05/1067724905.db2.gz PTPFKWLZQMHGOH-HSALFYBXSA-N 1 1 460.667 3.127 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2(O)CCCCCC2)cs1 ZINC001304657196 1067725488 /nfs/dbraw/zinc/72/54/88/1067725488.db2.gz SSHGMCOZIFCYSI-UHFFFAOYSA-N 1 1 476.691 3.266 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2(O)CCCCCC2)cs1 ZINC001304657196 1067725494 /nfs/dbraw/zinc/72/54/94/1067725494.db2.gz SSHGMCOZIFCYSI-UHFFFAOYSA-N 1 1 476.691 3.266 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1=O ZINC001303192041 1067726465 /nfs/dbraw/zinc/72/64/65/1067726465.db2.gz LXUXJPONWZRGPQ-LNRXMEIDSA-N 1 1 474.694 3.232 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1=O ZINC001303194718 1067727739 /nfs/dbraw/zinc/72/77/39/1067727739.db2.gz AOYSEWQOLYHFFE-PKTZIBPZSA-N 1 1 482.673 3.325 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)[C@@H](C)C1=O ZINC001303195697 1067728832 /nfs/dbraw/zinc/72/88/32/1067728832.db2.gz JOZWETWENSBQEH-ZEQRLZLVSA-N 1 1 496.700 3.257 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001303196937 1067731193 /nfs/dbraw/zinc/73/11/93/1067731193.db2.gz QFWUKDSGBIHOGW-ZRZAMGCNSA-N 1 1 481.689 3.327 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC001304666913 1067734440 /nfs/dbraw/zinc/73/44/40/1067734440.db2.gz VJBHUDCENWQJQB-UHFFFAOYSA-N 1 1 489.734 3.444 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304666913 1067734456 /nfs/dbraw/zinc/73/44/56/1067734456.db2.gz VJBHUDCENWQJQB-UHFFFAOYSA-N 1 1 489.734 3.444 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cs1 ZINC001304668588 1067736713 /nfs/dbraw/zinc/73/67/13/1067736713.db2.gz DZRWIXLTRMEVKH-IEBWSBKVSA-N 1 1 473.691 3.105 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccc(NC(N)=O)cc2)cs1 ZINC001304668533 1067736768 /nfs/dbraw/zinc/73/67/68/1067736768.db2.gz SBCREMXPBCCQBA-UHFFFAOYSA-N 1 1 482.658 3.483 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C)C2)C1 ZINC001303201879 1067737700 /nfs/dbraw/zinc/73/77/00/1067737700.db2.gz QWSDSGFJYNXOSR-AABGKKOBSA-N 1 1 461.582 3.139 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C)C2)C1 ZINC001303201880 1067737944 /nfs/dbraw/zinc/73/79/44/1067737944.db2.gz QWSDSGFJYNXOSR-AQNXPRMDSA-N 1 1 461.582 3.139 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)C1 ZINC001303202379 1067738276 /nfs/dbraw/zinc/73/82/76/1067738276.db2.gz XXXGGJWSYWYMPD-UIFIKXQLSA-N 1 1 493.027 3.013 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)cs1 ZINC001304670082 1067738984 /nfs/dbraw/zinc/73/89/84/1067738984.db2.gz NCVWLATUTWVEKE-MRXNPFEDSA-N 1 1 454.591 3.226 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3C[C@H](C)CC[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303203214 1067739077 /nfs/dbraw/zinc/73/90/77/1067739077.db2.gz COKFDNZYURCARS-HXKBJWFLSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001303203850 1067739329 /nfs/dbraw/zinc/73/93/29/1067739329.db2.gz HKZDRUVJHZGEQS-LJQANCHMSA-N 1 1 499.553 3.258 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001303203978 1067740274 /nfs/dbraw/zinc/74/02/74/1067740274.db2.gz IMOWOPHYKFOFCU-JOCHJYFZSA-N 1 1 482.654 3.023 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001303204202 1067740639 /nfs/dbraw/zinc/74/06/39/1067740639.db2.gz LHIGIILUQJZXLH-RTWAWAEBSA-N 1 1 496.578 3.168 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N(C)Cc3ccc(F)cc3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303204221 1067740783 /nfs/dbraw/zinc/74/07/83/1067740783.db2.gz LPARCQSCNDRJAM-ZEQKJWHPSA-N 1 1 489.636 3.451 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2nccs2)C1 ZINC001303204712 1067741600 /nfs/dbraw/zinc/74/16/00/1067741600.db2.gz LZQRJFXDXFEBIP-GOSISDBHSA-N 1 1 476.050 3.486 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C(C)C)C2)C1 ZINC001303205584 1067742762 /nfs/dbraw/zinc/74/27/62/1067742762.db2.gz RLSAXKHHFPXODN-PKTZIBPZSA-N 1 1 475.609 3.214 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCCn2cc[nH+]c2C)cs1 ZINC001304673175 1067742766 /nfs/dbraw/zinc/74/27/66/1067742766.db2.gz LWHGXNIRNDHAIG-HNNXBMFYSA-N 1 1 482.580 3.302 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccn3C)nnc2N2CCC=C(Br)C2)C1 ZINC001303205778 1067743396 /nfs/dbraw/zinc/74/33/96/1067743396.db2.gz SUMWOKXQGUUQAR-GOSISDBHSA-N 1 1 463.424 3.129 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2C[C@](C)(O)CCC(C)C)cs1 ZINC001304673876 1067743850 /nfs/dbraw/zinc/74/38/50/1067743850.db2.gz FDJIBDWNDBQALU-XUZZJYLKSA-N 1 1 476.691 3.122 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccn3C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001303206655 1067744717 /nfs/dbraw/zinc/74/47/17/1067744717.db2.gz VPFBXAIVLMGDNQ-NLFFAJNJSA-N 1 1 458.651 3.282 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001304674572 1067744896 /nfs/dbraw/zinc/74/48/96/1067744896.db2.gz RUHMNPJRSJYXEI-JOCHJYFZSA-N 1 1 489.734 3.301 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)C1 ZINC001303208054 1067745979 /nfs/dbraw/zinc/74/59/79/1067745979.db2.gz WKMUOMFJVFFITM-SIKLNZKXSA-N 1 1 475.609 3.357 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304676504 1067748346 /nfs/dbraw/zinc/74/83/46/1067748346.db2.gz XOWOJJAZJZLGAF-IPJJNNNSSA-N 1 1 476.691 3.384 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cs1 ZINC001304676542 1067748602 /nfs/dbraw/zinc/74/86/02/1067748602.db2.gz YFRKQTKWKOXDCT-RDPSFJRHSA-N 1 1 476.691 3.122 20 0 JGADMO Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n[nH]1 ZINC001304680263 1067752976 /nfs/dbraw/zinc/75/29/76/1067752976.db2.gz OKDBMRRIHWZWGG-UHFFFAOYSA-N 1 1 476.427 3.016 20 0 JGADMO Cc1n[nH]c(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001304680263 1067752982 /nfs/dbraw/zinc/75/29/82/1067752982.db2.gz OKDBMRRIHWZWGG-UHFFFAOYSA-N 1 1 476.427 3.016 20 0 JGADMO Cc1n[nH]c(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001304680263 1067752986 /nfs/dbraw/zinc/75/29/86/1067752986.db2.gz OKDBMRRIHWZWGG-UHFFFAOYSA-N 1 1 476.427 3.016 20 0 JGADMO Cc1nnc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)[nH]1 ZINC001304680263 1067752992 /nfs/dbraw/zinc/75/29/92/1067752992.db2.gz OKDBMRRIHWZWGG-UHFFFAOYSA-N 1 1 476.427 3.016 20 0 JGADMO Cc1nnc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)[nH]1 ZINC001304680263 1067753000 /nfs/dbraw/zinc/75/30/00/1067753000.db2.gz OKDBMRRIHWZWGG-UHFFFAOYSA-N 1 1 476.427 3.016 20 0 JGADMO CC(C)COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303220445 1067757863 /nfs/dbraw/zinc/75/78/63/1067757863.db2.gz AJASPOUXMCBRSK-NRFANRHFSA-N 1 1 454.619 3.174 20 0 JGADMO Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001304686557 1067759467 /nfs/dbraw/zinc/75/94/67/1067759467.db2.gz YHDIVUMXVXUJDH-IYBDPMFKSA-N 1 1 475.688 3.187 20 0 JGADMO Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001304686557 1067759474 /nfs/dbraw/zinc/75/94/74/1067759474.db2.gz YHDIVUMXVXUJDH-IYBDPMFKSA-N 1 1 475.688 3.187 20 0 JGADMO Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)cs1 ZINC001304689051 1067762021 /nfs/dbraw/zinc/76/20/21/1067762021.db2.gz ZARUNVQXVXIVAV-OAQYLSRUSA-N 1 1 475.707 3.020 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001304691358 1067764873 /nfs/dbraw/zinc/76/48/73/1067764873.db2.gz WRIHKGMWXXQBCX-QRQCRPRQSA-N 1 1 460.579 3.025 20 0 JGADMO Cc1ncc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H]2CCC[N@H+]2CCCO)s1 ZINC001304692307 1067765537 /nfs/dbraw/zinc/76/55/37/1067765537.db2.gz OSBNJCCJOOKHKR-OAQYLSRUSA-N 1 1 454.644 3.425 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC001304692839 1067765793 /nfs/dbraw/zinc/76/57/93/1067765793.db2.gz HKMLDHDPRIAVFL-FXAWDEMLSA-N 1 1 488.683 3.102 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC001304692839 1067765799 /nfs/dbraw/zinc/76/57/99/1067765799.db2.gz HKMLDHDPRIAVFL-FXAWDEMLSA-N 1 1 488.683 3.102 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCOCC2)s1 ZINC001304693509 1067766753 /nfs/dbraw/zinc/76/67/53/1067766753.db2.gz KUFZQTZQQSVLIC-WOJBJXKFSA-N 1 1 462.664 3.320 20 0 JGADMO CC(C)COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001303234787 1067766965 /nfs/dbraw/zinc/76/69/65/1067766965.db2.gz GUTIEUCTVYPVHI-QUCCMNQESA-N 1 1 460.648 3.237 20 0 JGADMO CC(C)COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001303234785 1067767043 /nfs/dbraw/zinc/76/70/43/1067767043.db2.gz GUTIEUCTVYPVHI-ICSRJNTNSA-N 1 1 460.648 3.237 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001303236046 1067767874 /nfs/dbraw/zinc/76/78/74/1067767874.db2.gz ODJSQAOFAMPPSJ-SSGKUCQKSA-N 1 1 477.694 3.416 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC001304701368 1067772224 /nfs/dbraw/zinc/77/22/24/1067772224.db2.gz HXEZSLMMOMMFLS-LJQANCHMSA-N 1 1 474.606 3.487 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001304702498 1067773986 /nfs/dbraw/zinc/77/39/86/1067773986.db2.gz YLSZDDSBGRGWSI-KRWDZBQOSA-N 1 1 453.513 3.278 20 0 JGADMO CC(C)CSCCn1c(CC(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001303249072 1067775428 /nfs/dbraw/zinc/77/54/28/1067775428.db2.gz KESXTSMCTFSSQN-UHFFFAOYSA-N 1 1 450.697 3.000 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001304702958 1067775474 /nfs/dbraw/zinc/77/54/74/1067775474.db2.gz ACZVCWQDBJDNAD-LJQANCHMSA-N 1 1 450.591 3.019 20 0 JGADMO CC(C)CSCCn1c(CC(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001303249072 1067775435 /nfs/dbraw/zinc/77/54/35/1067775435.db2.gz KESXTSMCTFSSQN-UHFFFAOYSA-N 1 1 450.697 3.000 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001304703209 1067775588 /nfs/dbraw/zinc/77/55/88/1067775588.db2.gz OMKGQOAGJVKKHU-NRFANRHFSA-N 1 1 451.575 3.240 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001304703647 1067775872 /nfs/dbraw/zinc/77/58/72/1067775872.db2.gz SIPNUDUGCAXNLY-GOSISDBHSA-N 1 1 476.551 3.322 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001304703408 1067775985 /nfs/dbraw/zinc/77/59/85/1067775985.db2.gz GHAUODPVXJJXGM-PKOBYXMFSA-N 1 1 490.605 3.166 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001304704016 1067776512 /nfs/dbraw/zinc/77/65/12/1067776512.db2.gz WGNHVAYBODDWNF-NQIIRXRSSA-N 1 1 456.616 3.363 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCCO2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001304704027 1067776591 /nfs/dbraw/zinc/77/65/91/1067776591.db2.gz WRAKJFZFDYOVKM-RZUBCFFCSA-N 1 1 459.639 3.050 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001304704172 1067776962 /nfs/dbraw/zinc/77/69/62/1067776962.db2.gz KMKWTBZFIYMWDL-MRXNPFEDSA-N 1 1 473.528 3.199 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001304704910 1067777340 /nfs/dbraw/zinc/77/73/40/1067777340.db2.gz RVRCEAAIRZJDTO-MJGOQNOKSA-N 1 1 469.565 3.244 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001304704450 1067777469 /nfs/dbraw/zinc/77/74/69/1067777469.db2.gz ZJTATFVHDMMPGT-QFIPXVFZSA-N 1 1 470.643 3.062 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304705204 1067777777 /nfs/dbraw/zinc/77/77/77/1067777777.db2.gz PKTQWUZLZTYNFE-FXAWDEMLSA-N 1 1 466.590 3.285 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001304705378 1067778099 /nfs/dbraw/zinc/77/80/99/1067778099.db2.gz TWZISQCKLVFFIU-SFHVURJKSA-N 1 1 494.625 3.321 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001304705694 1067778200 /nfs/dbraw/zinc/77/82/00/1067778200.db2.gz WJZMCLIJCIMPKH-LJQANCHMSA-N 1 1 475.519 3.435 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001304705640 1067778228 /nfs/dbraw/zinc/77/82/28/1067778228.db2.gz SJFQQWLWRIPZSJ-KRWDZBQOSA-N 1 1 472.391 3.005 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001304706100 1067778971 /nfs/dbraw/zinc/77/89/71/1067778971.db2.gz YLZCONQTDKACEO-OAHLLOKOSA-N 1 1 495.447 3.172 20 0 JGADMO COC1(c2nccn2C)CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001303254529 1067779524 /nfs/dbraw/zinc/77/95/24/1067779524.db2.gz ZUMOGEQEWOJZJW-OAQYLSRUSA-N 1 1 450.505 3.339 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)(F)F ZINC001304708908 1067780193 /nfs/dbraw/zinc/78/01/93/1067780193.db2.gz HWFCZRRMQVVLOV-UHFFFAOYSA-N 1 1 484.552 3.222 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001304708795 1067780228 /nfs/dbraw/zinc/78/02/28/1067780228.db2.gz FIHKSKKPBUNDKI-UHFFFAOYSA-N 1 1 465.602 3.130 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cn2)CC1 ZINC001303254945 1067780411 /nfs/dbraw/zinc/78/04/11/1067780411.db2.gz QHNHCWGNEGPSTF-UHFFFAOYSA-N 1 1 466.565 3.064 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1nccs1 ZINC001304709925 1067780730 /nfs/dbraw/zinc/78/07/30/1067780730.db2.gz AYFCPBAPHADGJD-UHFFFAOYSA-N 1 1 475.420 3.387 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccccn2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001304709907 1067780744 /nfs/dbraw/zinc/78/07/44/1067780744.db2.gz ALPOOLXMOFVGOZ-ICSRJNTNSA-N 1 1 480.617 3.209 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C ZINC001303255107 1067780807 /nfs/dbraw/zinc/78/08/07/1067780807.db2.gz VSUXYBLGEROFJK-UHFFFAOYSA-N 1 1 499.063 3.312 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001304710157 1067781164 /nfs/dbraw/zinc/78/11/64/1067781164.db2.gz FHPYTXXPVFPSSL-PIJWYQRNSA-N 1 1 463.611 3.404 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(=O)NC(C)C ZINC001304710045 1067781233 /nfs/dbraw/zinc/78/12/33/1067781233.db2.gz BWMCBBTUFQSLAA-MRXNPFEDSA-N 1 1 455.632 3.297 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001303255222 1067781278 /nfs/dbraw/zinc/78/12/78/1067781278.db2.gz ZQGMROQKGJUATB-QFIPXVFZSA-N 1 1 467.662 3.311 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001304710531 1067781489 /nfs/dbraw/zinc/78/14/89/1067781489.db2.gz LYWOTUNVQZZVQB-UHFFFAOYSA-N 1 1 455.994 3.498 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001304711128 1067782041 /nfs/dbraw/zinc/78/20/41/1067782041.db2.gz ODWZGENBVMXVJD-AWEZNQCLSA-N 1 1 451.394 3.448 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001304711131 1067782072 /nfs/dbraw/zinc/78/20/72/1067782072.db2.gz ODWZGENBVMXVJD-CQSZACIVSA-N 1 1 451.394 3.448 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ncccc2Cl)CC1 ZINC001303255883 1067782471 /nfs/dbraw/zinc/78/24/71/1067782471.db2.gz DQXKTAAHWIYLAU-UHFFFAOYSA-N 1 1 473.025 3.363 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001303256445 1067783199 /nfs/dbraw/zinc/78/31/99/1067783199.db2.gz KSUUBCVVXYWWLG-IBGZPJMESA-N 1 1 482.599 3.119 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303256656 1067783647 /nfs/dbraw/zinc/78/36/47/1067783647.db2.gz OAILTQBUTWGMGL-OAQYLSRUSA-N 1 1 497.610 3.483 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N(C)C)CC1 ZINC001303256635 1067783692 /nfs/dbraw/zinc/78/36/92/1067783692.db2.gz NLEZXOAESOSFTK-UHFFFAOYSA-N 1 1 494.482 3.081 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCCC2=O)CC1 ZINC001303256768 1067783787 /nfs/dbraw/zinc/78/37/87/1067783787.db2.gz BUNUEJASJADYQG-UHFFFAOYSA-N 1 1 467.662 3.223 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001303257150 1067784081 /nfs/dbraw/zinc/78/40/81/1067784081.db2.gz SLRSJFVABNZSIS-UHFFFAOYSA-N 1 1 499.660 3.190 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001303257201 1067784248 /nfs/dbraw/zinc/78/42/48/1067784248.db2.gz UREHHPYWXFYCES-UHFFFAOYSA-N 1 1 466.565 3.070 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001304712947 1067784346 /nfs/dbraw/zinc/78/43/46/1067784346.db2.gz CKSPRQGREWPPEJ-SCTDSRPQSA-N 1 1 459.595 3.169 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001304713312 1067784699 /nfs/dbraw/zinc/78/46/99/1067784699.db2.gz MRUPDEWCFIHBGV-UHFFFAOYSA-N 1 1 471.009 3.434 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ncccc2Cl)CC1 ZINC001303258256 1067784923 /nfs/dbraw/zinc/78/49/23/1067784923.db2.gz KSLHCZSHRMDXLJ-IBGZPJMESA-N 1 1 463.026 3.466 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccn2C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001304714187 1067785494 /nfs/dbraw/zinc/78/54/94/1067785494.db2.gz QZEUPXSYFAAMOM-IBGZPJMESA-N 1 1 460.586 3.145 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccn2C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001304714188 1067785631 /nfs/dbraw/zinc/78/56/31/1067785631.db2.gz QZEUPXSYFAAMOM-LJQANCHMSA-N 1 1 460.586 3.145 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001303259435 1067786036 /nfs/dbraw/zinc/78/60/36/1067786036.db2.gz VUJGINOQVYGYNL-PKHCJMHPSA-N 1 1 451.681 3.378 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2CCCc2cnn(C)c2)CC1 ZINC001303259713 1067786473 /nfs/dbraw/zinc/78/64/73/1067786473.db2.gz WSXLHZOKUCXWSF-UHFFFAOYSA-N 1 1 450.635 3.187 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2ccnn2)CC1 ZINC001303261289 1067786964 /nfs/dbraw/zinc/78/69/64/1067786964.db2.gz DCBQMAMRTKFNBM-FGZHOGPDSA-N 1 1 472.682 3.435 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 ZINC001303261489 1067787353 /nfs/dbraw/zinc/78/73/53/1067787353.db2.gz KFRJCJVONAGBFI-NRFANRHFSA-N 1 1 488.652 3.274 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001303261685 1067788420 /nfs/dbraw/zinc/78/84/20/1067788420.db2.gz RQTGWOMBJXFITF-JOCHJYFZSA-N 1 1 499.685 3.326 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001303263722 1067791220 /nfs/dbraw/zinc/79/12/20/1067791220.db2.gz RHNMQRCDLPCFGJ-IBGZPJMESA-N 1 1 460.026 3.315 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001303264607 1067791512 /nfs/dbraw/zinc/79/15/12/1067791512.db2.gz VQWVKPZRNHOZJO-UHFFFAOYSA-N 1 1 497.047 3.149 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001303264472 1067791985 /nfs/dbraw/zinc/79/19/85/1067791985.db2.gz BVKBECQSMMSACU-INIZCTEOSA-N 1 1 459.620 3.249 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001304721137 1067792031 /nfs/dbraw/zinc/79/20/31/1067792031.db2.gz BCDVVXHGZGERGW-BGYRXZFFSA-N 1 1 488.681 3.376 20 0 JGADMO CC(C)[N@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001303266212 1067793195 /nfs/dbraw/zinc/79/31/95/1067793195.db2.gz NXEJSPCKAOXHBT-DEOSSOPVSA-N 1 1 454.663 3.267 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001303266212 1067793199 /nfs/dbraw/zinc/79/31/99/1067793199.db2.gz NXEJSPCKAOXHBT-DEOSSOPVSA-N 1 1 454.663 3.267 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCC1CCOCC1 ZINC001303266278 1067793230 /nfs/dbraw/zinc/79/32/30/1067793230.db2.gz XZEMEYJKEWZRKJ-UHFFFAOYSA-N 1 1 481.645 3.175 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1F)C1CC1 ZINC001303266349 1067793301 /nfs/dbraw/zinc/79/33/01/1067793301.db2.gz PFXUIDNCTQXADI-SFHVURJKSA-N 1 1 481.613 3.358 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC001303266515 1067793646 /nfs/dbraw/zinc/79/36/46/1067793646.db2.gz RAQRNEINIMFFPP-VXKWHMMOSA-N 1 1 459.660 3.122 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001303266603 1067793657 /nfs/dbraw/zinc/79/36/57/1067793657.db2.gz RVEFLAUHXSIJBP-UHFFFAOYSA-N 1 1 469.634 3.208 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001303267001 1067794088 /nfs/dbraw/zinc/79/40/88/1067794088.db2.gz XJMBVLBJEMMUHI-NQIIRXRSSA-N 1 1 478.663 3.095 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001303267535 1067794331 /nfs/dbraw/zinc/79/43/31/1067794331.db2.gz CLJSLDHOWNUHAE-UHFFFAOYSA-N 1 1 467.643 3.018 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303267565 1067794895 /nfs/dbraw/zinc/79/48/95/1067794895.db2.gz DNCGIMNQDIHIIR-FQEVSTJZSA-N 1 1 492.690 3.391 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001303267717 1067794937 /nfs/dbraw/zinc/79/49/37/1067794937.db2.gz GMUIUFUNZHGHIQ-RUZDIDTESA-N 1 1 452.578 3.231 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001303267924 1067795263 /nfs/dbraw/zinc/79/52/63/1067795263.db2.gz KKNKGTWLDOZFLN-UHFFFAOYSA-N 1 1 467.662 3.131 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001303268713 1067796718 /nfs/dbraw/zinc/79/67/18/1067796718.db2.gz LDLOQDDDPZVNLR-OAQYLSRUSA-N 1 1 475.037 3.476 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001303268677 1067796731 /nfs/dbraw/zinc/79/67/31/1067796731.db2.gz KTIHQVLFJAEKDC-UHFFFAOYSA-N 1 1 484.464 3.061 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001303268594 1067797058 /nfs/dbraw/zinc/79/70/58/1067797058.db2.gz JTMXNJMFFXBZAX-FQEVSTJZSA-N 1 1 456.570 3.160 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001304725105 1067797250 /nfs/dbraw/zinc/79/72/50/1067797250.db2.gz HQNMMTLIOZOFHD-HSZRJFAPSA-N 1 1 457.648 3.043 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001303269037 1067797341 /nfs/dbraw/zinc/79/73/41/1067797341.db2.gz RBYAIRBALIAXTM-SZPZYZBQSA-N 1 1 489.709 3.311 20 0 JGADMO CC(C)[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(CC2CC2)CC1 ZINC001303269037 1067797351 /nfs/dbraw/zinc/79/73/51/1067797351.db2.gz RBYAIRBALIAXTM-SZPZYZBQSA-N 1 1 489.709 3.311 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(CC2CC2)CC1 ZINC001303269037 1067797362 /nfs/dbraw/zinc/79/73/62/1067797362.db2.gz RBYAIRBALIAXTM-SZPZYZBQSA-N 1 1 489.709 3.311 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(c2ncccn2)CC1 ZINC001303268878 1067797523 /nfs/dbraw/zinc/79/75/23/1067797523.db2.gz OHRQSIQJGLVXNF-UHFFFAOYSA-N 1 1 485.434 3.164 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001303268905 1067797543 /nfs/dbraw/zinc/79/75/43/1067797543.db2.gz SVTYWCQQYCPWLA-JOCHJYFZSA-N 1 1 469.678 3.373 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@](C)(O)C(C)C)CC1 ZINC001304725816 1067797866 /nfs/dbraw/zinc/79/78/66/1067797866.db2.gz KNUTXGLIWANFTO-VWLOTQADSA-N 1 1 451.619 3.025 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001304725815 1067797899 /nfs/dbraw/zinc/79/78/99/1067797899.db2.gz KNUTXGLIWANFTO-RUZDIDTESA-N 1 1 451.619 3.025 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001303270881 1067799658 /nfs/dbraw/zinc/79/96/58/1067799658.db2.gz MIPDVIRCUSWJTC-RBUKOAKNSA-N 1 1 493.425 3.434 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001303271242 1067799968 /nfs/dbraw/zinc/79/99/68/1067799968.db2.gz OZQATNNTXTZMAY-OAHLLOKOSA-N 1 1 460.431 3.215 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001303271351 1067800289 /nfs/dbraw/zinc/80/02/89/1067800289.db2.gz NMMILWXGNZNQJI-FPOVZHCZSA-N 1 1 471.650 3.460 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001303271737 1067800651 /nfs/dbraw/zinc/80/06/51/1067800651.db2.gz TWMMFKAEZJLUNE-IBGZPJMESA-N 1 1 460.026 3.076 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001303272146 1067801117 /nfs/dbraw/zinc/80/11/17/1067801117.db2.gz YKSKJMYXKWJIQJ-DLBZAZTESA-N 1 1 482.354 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303272051 1067801286 /nfs/dbraw/zinc/80/12/86/1067801286.db2.gz YJROTRAMDDHNKM-UHFFFAOYSA-N 1 1 472.590 3.071 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001303274241 1067801840 /nfs/dbraw/zinc/80/18/40/1067801840.db2.gz BDJXKCBQFVFNAO-UHFFFAOYSA-N 1 1 476.551 3.364 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001303275091 1067802437 /nfs/dbraw/zinc/80/24/37/1067802437.db2.gz RXCWXDBRFANWAS-LEWJYISDSA-N 1 1 476.691 3.431 20 0 JGADMO Cc1cc(Cn2c(COc3ccccc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n(C)n1 ZINC001304730379 1067802685 /nfs/dbraw/zinc/80/26/85/1067802685.db2.gz WWPFGQSCDZWCSQ-UHFFFAOYSA-N 1 1 455.582 3.397 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccccn2)CC1 ZINC001303275278 1067802876 /nfs/dbraw/zinc/80/28/76/1067802876.db2.gz AFRZYQWFCUYCQJ-UHFFFAOYSA-N 1 1 455.557 3.209 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275382 1067802952 /nfs/dbraw/zinc/80/29/52/1067802952.db2.gz BMGNDEQWFGEEJQ-RTWAWAEBSA-N 1 1 454.619 3.002 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1 ZINC001303275897 1067803525 /nfs/dbraw/zinc/80/35/25/1067803525.db2.gz BUXDODMKGPNZFQ-UHFFFAOYSA-N 1 1 455.557 3.209 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001303276332 1067804022 /nfs/dbraw/zinc/80/40/22/1067804022.db2.gz GNVUGVJZRQGSNY-UHFFFAOYSA-N 1 1 467.643 3.064 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001303276984 1067804709 /nfs/dbraw/zinc/80/47/09/1067804709.db2.gz QFCAQFNFPVXRJA-LJQANCHMSA-N 1 1 481.519 3.479 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 ZINC001303277937 1067805025 /nfs/dbraw/zinc/80/50/25/1067805025.db2.gz XCBJFAOZTBXDOY-FXAWDEMLSA-N 1 1 478.435 3.463 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001303277916 1067805367 /nfs/dbraw/zinc/80/53/67/1067805367.db2.gz XMBGBXFNTKJELD-UHFFFAOYSA-N 1 1 481.620 3.491 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001303278070 1067805951 /nfs/dbraw/zinc/80/59/51/1067805951.db2.gz YKOYMRVMJXGGIN-QZTJIDSGSA-N 1 1 476.025 3.026 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001303278495 1067807168 /nfs/dbraw/zinc/80/71/68/1067807168.db2.gz GMKFEANNBZIAMH-UHFFFAOYSA-N 1 1 493.450 3.052 20 0 JGADMO CC(C)N(Cc1cccc(F)c1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303281744 1067809324 /nfs/dbraw/zinc/80/93/24/1067809324.db2.gz FUNMRRYAJSYXJB-UHFFFAOYSA-N 1 1 453.566 3.400 20 0 JGADMO CC(C)N(Cc1cccc(F)c1)c1nnc(-c2cnccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001303281744 1067809335 /nfs/dbraw/zinc/80/93/35/1067809335.db2.gz FUNMRRYAJSYXJB-UHFFFAOYSA-N 1 1 453.566 3.400 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001304736508 1067810652 /nfs/dbraw/zinc/81/06/52/1067810652.db2.gz MEXGJKOUWVTIBQ-PMACEKPBSA-N 1 1 499.685 3.223 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304737475 1067812033 /nfs/dbraw/zinc/81/20/33/1067812033.db2.gz QHPVPPHZMHEWCM-OAQYLSRUSA-N 1 1 451.619 3.448 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304737475 1067812042 /nfs/dbraw/zinc/81/20/42/1067812042.db2.gz QHPVPPHZMHEWCM-OAQYLSRUSA-N 1 1 451.619 3.448 20 0 JGADMO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1)C(C)C ZINC001303295885 1067819554 /nfs/dbraw/zinc/81/95/54/1067819554.db2.gz KZMYRXZEVBAERD-VWLOTQADSA-N 1 1 477.657 3.315 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CCC[NH+]2CCOCC2)n1 ZINC001304743494 1067821439 /nfs/dbraw/zinc/82/14/39/1067821439.db2.gz MPAHGZCWVPHCPO-UHFFFAOYSA-N 1 1 476.000 3.291 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2sc(C)nc2C)n1 ZINC001304744722 1067823268 /nfs/dbraw/zinc/82/32/68/1067823268.db2.gz ILWHYWBXQSIRAT-KDURUIRLSA-N 1 1 486.690 3.001 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2sc(C)nc2C)n1 ZINC001304744722 1067823277 /nfs/dbraw/zinc/82/32/77/1067823277.db2.gz ILWHYWBXQSIRAT-KDURUIRLSA-N 1 1 486.690 3.001 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)Oc2ccccc2C)n1 ZINC001304745269 1067824171 /nfs/dbraw/zinc/82/41/71/1067824171.db2.gz NPALXDOSSMDAGY-VXNXHJTFSA-N 1 1 495.672 3.461 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)Oc2ccccc2C)n1 ZINC001304745269 1067824176 /nfs/dbraw/zinc/82/41/76/1067824176.db2.gz NPALXDOSSMDAGY-VXNXHJTFSA-N 1 1 495.672 3.461 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001303302348 1067827288 /nfs/dbraw/zinc/82/72/88/1067827288.db2.gz HZDFJAJCWRBFBU-FQEVSTJZSA-N 1 1 492.615 3.435 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001303302355 1067827347 /nfs/dbraw/zinc/82/73/47/1067827347.db2.gz IAKPIJRDLQMNDA-SFHVURJKSA-N 1 1 495.093 3.237 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001303302652 1067827665 /nfs/dbraw/zinc/82/76/65/1067827665.db2.gz AJSUUGNDRSMMPF-INIZCTEOSA-N 1 1 467.540 3.147 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303302951 1067828197 /nfs/dbraw/zinc/82/81/97/1067828197.db2.gz CXBZTXCMDHPXBN-FHWLQOOXSA-N 1 1 486.583 3.145 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001303303495 1067829373 /nfs/dbraw/zinc/82/93/73/1067829373.db2.gz WOZBOEDVEFHVIW-QZTJIDSGSA-N 1 1 489.462 3.495 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@@H+](C)Cc2ccccc2)n1 ZINC001304749998 1067830051 /nfs/dbraw/zinc/83/00/51/1067830051.db2.gz HHDVLCQZMHPAHX-OAQYLSRUSA-N 1 1 451.619 3.275 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001303304114 1067830439 /nfs/dbraw/zinc/83/04/39/1067830439.db2.gz CFPYRRQUSWKWHS-QUCCMNQESA-N 1 1 496.077 3.254 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303304498 1067831395 /nfs/dbraw/zinc/83/13/95/1067831395.db2.gz HSLWCORINAJKIF-LEWJYISDSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001303305997 1067834501 /nfs/dbraw/zinc/83/45/01/1067834501.db2.gz XSDDASDUXMWBHC-KRWDZBQOSA-N 1 1 471.547 3.416 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001304753726 1067834859 /nfs/dbraw/zinc/83/48/59/1067834859.db2.gz FZDLZUKNWLSEPF-GOSISDBHSA-N 1 1 482.460 3.276 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304753866 1067835252 /nfs/dbraw/zinc/83/52/52/1067835252.db2.gz LWCCCQNBASRYGU-APWZRJJASA-N 1 1 483.583 3.154 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001303306145 1067835283 /nfs/dbraw/zinc/83/52/83/1067835283.db2.gz ZDENWPCQSWGQQX-WOJBJXKFSA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001303308040 1067836416 /nfs/dbraw/zinc/83/64/16/1067836416.db2.gz OPAZHQNICSDGKN-UHFFFAOYSA-N 1 1 488.702 3.199 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304754587 1067836587 /nfs/dbraw/zinc/83/65/87/1067836587.db2.gz JZMHQWKJSOIDNP-SFHVURJKSA-N 1 1 469.556 3.029 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304754587 1067836597 /nfs/dbraw/zinc/83/65/97/1067836597.db2.gz JZMHQWKJSOIDNP-SFHVURJKSA-N 1 1 469.556 3.029 20 0 JGADMO CC(C)n1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCCCO)c2ccccc2c1=O ZINC001303309598 1067837054 /nfs/dbraw/zinc/83/70/54/1067837054.db2.gz FVZLDUFIZRTICV-UHFFFAOYSA-N 1 1 481.645 3.319 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccccc3F)n2CCCO[C@H]2CCOC2)CC1 ZINC001303309966 1067837537 /nfs/dbraw/zinc/83/75/37/1067837537.db2.gz BJIKZZHFUXKMOS-FQEVSTJZSA-N 1 1 461.582 3.112 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001303310381 1067838040 /nfs/dbraw/zinc/83/80/40/1067838040.db2.gz GULJMJBTQSLDPP-MRXNPFEDSA-N 1 1 464.456 3.059 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303310381 1067838052 /nfs/dbraw/zinc/83/80/52/1067838052.db2.gz GULJMJBTQSLDPP-MRXNPFEDSA-N 1 1 464.456 3.059 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCc2ccco2)CC1 ZINC001303310403 1067838146 /nfs/dbraw/zinc/83/81/46/1067838146.db2.gz HHZGPOPOYCAKAZ-IFMALSPDSA-N 1 1 472.634 3.027 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCN(C)CC(F)(F)F)CC1 ZINC001303310149 1067838210 /nfs/dbraw/zinc/83/82/10/1067838210.db2.gz JZCYROPGZGZLTQ-UHFFFAOYSA-N 1 1 492.550 3.009 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303310531 1067838921 /nfs/dbraw/zinc/83/89/21/1067838921.db2.gz NLPYCMXQHFIWPQ-RTWAWAEBSA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2CF)CC1 ZINC001303311246 1067840636 /nfs/dbraw/zinc/84/06/36/1067840636.db2.gz XJPFXBSHQSYSLL-OTWHNJEPSA-N 1 1 466.602 3.038 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(-c4ccccc4Cl)n3CCC(=O)N(C)C)CC2)CC1 ZINC001303316567 1067843965 /nfs/dbraw/zinc/84/39/65/1067843965.db2.gz FBQJEDGTDXXGCH-UHFFFAOYSA-N 1 1 488.080 3.072 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCCOC(F)F)n1 ZINC001304759446 1067844793 /nfs/dbraw/zinc/84/47/93/1067844793.db2.gz MBLMHXXMEXGWQG-UHFFFAOYSA-N 1 1 451.566 3.224 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCSC3)CC2)C1 ZINC001303318062 1067848567 /nfs/dbraw/zinc/84/85/67/1067848567.db2.gz ICRZKIOCMQOVQL-FGZHOGPDSA-N 1 1 478.751 3.241 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(Cc4ccccc4F)n3CCOCC(F)F)CC2)CC1 ZINC001303318393 1067849114 /nfs/dbraw/zinc/84/91/14/1067849114.db2.gz QOQMVXIMIYULMC-UHFFFAOYSA-N 1 1 494.606 3.285 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC4CC4)n3CCCN(C)CC(F)(F)F)CC2)CC1 ZINC001303318523 1067849502 /nfs/dbraw/zinc/84/95/02/1067849502.db2.gz UEAQWAPQESNQAE-UHFFFAOYSA-N 1 1 485.643 3.110 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304764803 1067854218 /nfs/dbraw/zinc/85/42/18/1067854218.db2.gz RXVGXKZMZCAHCC-OAQYLSRUSA-N 1 1 486.615 3.047 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H]1CCCO1 ZINC001303327527 1067855743 /nfs/dbraw/zinc/85/57/43/1067855743.db2.gz KAXBZCOHPXLGSL-CEMLEFRQSA-N 1 1 454.619 3.085 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1(c2ccc(F)cc2)CC1 ZINC001303329830 1067858724 /nfs/dbraw/zinc/85/87/24/1067858724.db2.gz GZTBEVSWTIWWDY-UHFFFAOYSA-N 1 1 486.636 3.082 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303330676 1067860431 /nfs/dbraw/zinc/86/04/31/1067860431.db2.gz BGSHPPOPEPFLPB-UHFFFAOYSA-N 1 1 495.594 3.098 20 0 JGADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001304770012 1067860631 /nfs/dbraw/zinc/86/06/31/1067860631.db2.gz NTOQDLGOICEWSZ-OAQYLSRUSA-N 1 1 455.607 3.296 20 0 JGADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)C)n3CCCCn3cc[nH+]c3C)CCO2)n1 ZINC001304771127 1067862607 /nfs/dbraw/zinc/86/26/07/1067862607.db2.gz ZWLXVSJKXJSJJA-JOCHJYFZSA-N 1 1 454.623 3.181 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001303335764 1067865209 /nfs/dbraw/zinc/86/52/09/1067865209.db2.gz WCUZEKHQYVLSAU-QFIPXVFZSA-N 1 1 478.645 3.089 20 0 JGADMO Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(Br)c4)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001304774771 1067867868 /nfs/dbraw/zinc/86/78/68/1067867868.db2.gz LCIFJICHKVZOEB-SFHVURJKSA-N 1 1 490.406 3.317 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001303340500 1067868707 /nfs/dbraw/zinc/86/87/07/1067868707.db2.gz URQQHRIXHMADDH-QFIPXVFZSA-N 1 1 496.681 3.448 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccccc1)C1CC1 ZINC001303342034 1067870647 /nfs/dbraw/zinc/87/06/47/1067870647.db2.gz LCXBQCTWMAAJQX-MZKRTTBSSA-N 1 1 468.646 3.156 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccccc1)C1CC1 ZINC001303342034 1067870663 /nfs/dbraw/zinc/87/06/63/1067870663.db2.gz LCXBQCTWMAAJQX-MZKRTTBSSA-N 1 1 468.646 3.156 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001303350189 1067877212 /nfs/dbraw/zinc/87/72/12/1067877212.db2.gz QETFSCQZGTTXAE-RBUKOAKNSA-N 1 1 458.607 3.240 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303352710 1067879636 /nfs/dbraw/zinc/87/96/36/1067879636.db2.gz JPSSYWIOEUAGPC-XUZZJYLKSA-N 1 1 481.689 3.072 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001303352968 1067880019 /nfs/dbraw/zinc/88/00/19/1067880019.db2.gz MLXRHXBPQMRONO-KDURUIRLSA-N 1 1 456.660 3.195 20 0 JGADMO CC(C)NC(=O)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303354060 1067881553 /nfs/dbraw/zinc/88/15/53/1067881553.db2.gz QMXLRDNKXHPQFD-IBGZPJMESA-N 1 1 454.619 3.468 20 0 JGADMO Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304792122 1067882920 /nfs/dbraw/zinc/88/29/20/1067882920.db2.gz CBBAOGYUGBFTMF-OAHLLOKOSA-N 1 1 467.517 3.054 20 0 JGADMO Cc1nnc(N(C)Cc2csc(Br)c2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001304795771 1067883718 /nfs/dbraw/zinc/88/37/18/1067883718.db2.gz KLBATZFFWFEZFI-GOSISDBHSA-N 1 1 472.478 3.255 20 0 JGADMO Cc1nnc(N(C)Cc2nc([C@H](C)OCC(C)C)no2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304795591 1067883784 /nfs/dbraw/zinc/88/37/84/1067883784.db2.gz HOABHXYZRLZRTO-KSZLIROESA-N 1 1 463.627 3.227 20 0 JGADMO Cc1nnc(N(C)CCOc2ccc(Cl)cc2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001304798966 1067884176 /nfs/dbraw/zinc/88/41/76/1067884176.db2.gz CQHHDKUWINWPTQ-UHFFFAOYSA-N 1 1 470.021 3.362 20 0 JGADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCCN(C)c1ccccc1 ZINC001304801789 1067885635 /nfs/dbraw/zinc/88/56/35/1067885635.db2.gz GWPYWIKGOJVJBK-XUZZJYLKSA-N 1 1 450.635 3.366 20 0 JGADMO Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001304812627 1067888743 /nfs/dbraw/zinc/88/87/43/1067888743.db2.gz ZUTMSPXFWRQTIM-VJBMBRPKSA-N 1 1 484.645 3.227 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303362347 1067889457 /nfs/dbraw/zinc/88/94/57/1067889457.db2.gz KRJKCMVHBDPXJG-IFMALSPDSA-N 1 1 460.667 3.324 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303364270 1067891191 /nfs/dbraw/zinc/89/11/91/1067891191.db2.gz VUEBXVXZULVJTD-HSZRJFAPSA-N 1 1 468.646 3.191 20 0 JGADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001304820971 1067891572 /nfs/dbraw/zinc/89/15/72/1067891572.db2.gz CQZRFMBJROOAAP-LJQANCHMSA-N 1 1 476.666 3.361 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001303365850 1067893012 /nfs/dbraw/zinc/89/30/12/1067893012.db2.gz GKDSWUQMGJMNEW-UHFFFAOYSA-N 1 1 487.596 3.497 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303365941 1067893794 /nfs/dbraw/zinc/89/37/94/1067893794.db2.gz UBKJHCCMWFFNHO-UHFFFAOYSA-N 1 1 487.718 3.135 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001303366476 1067894901 /nfs/dbraw/zinc/89/49/01/1067894901.db2.gz PIBJLPPLLKQIKI-UHFFFAOYSA-N 1 1 493.697 3.230 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[C@H]1C(F)(F)F ZINC001303371338 1067900797 /nfs/dbraw/zinc/90/07/97/1067900797.db2.gz UVIQRWYDJVVBER-NXHRZFHOSA-N 1 1 456.509 3.208 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[C@H]1C(F)(F)F ZINC001303371338 1067900800 /nfs/dbraw/zinc/90/08/00/1067900800.db2.gz UVIQRWYDJVVBER-NXHRZFHOSA-N 1 1 456.509 3.208 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](OCc3ccccc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303373415 1067904118 /nfs/dbraw/zinc/90/41/18/1067904118.db2.gz QNKVBKBGLQLVES-SFTDATJTSA-N 1 1 466.586 3.108 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304858551 1067908401 /nfs/dbraw/zinc/90/84/01/1067908401.db2.gz AXLCZEKPPCJPEF-KDURUIRLSA-N 1 1 474.616 3.434 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304858551 1067908403 /nfs/dbraw/zinc/90/84/03/1067908403.db2.gz AXLCZEKPPCJPEF-KDURUIRLSA-N 1 1 474.616 3.434 20 0 JGADMO Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304860041 1067909580 /nfs/dbraw/zinc/90/95/80/1067909580.db2.gz GCVSXPKPKNIUOK-NFBKMPQASA-N 1 1 453.635 3.079 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304869743 1067912864 /nfs/dbraw/zinc/91/28/64/1067912864.db2.gz YWSOQKKKAUQAGN-RTWAWAEBSA-N 1 1 465.545 3.123 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304873304 1067915718 /nfs/dbraw/zinc/91/57/18/1067915718.db2.gz HMMHDUIKEXGINV-NQIIRXRSSA-N 1 1 474.650 3.375 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303387763 1067916083 /nfs/dbraw/zinc/91/60/83/1067916083.db2.gz GWLYYXYCBZDTJN-FQEVSTJZSA-N 1 1 491.681 3.126 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303389753 1067918624 /nfs/dbraw/zinc/91/86/24/1067918624.db2.gz WICPNODRUOVPKX-PKTZIBPZSA-N 1 1 468.646 3.191 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(O)cc1 ZINC001303389848 1067919125 /nfs/dbraw/zinc/91/91/25/1067919125.db2.gz XWMQKZNAGAWMJG-IRLDBZIGSA-N 1 1 468.646 3.455 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875733 1067919406 /nfs/dbraw/zinc/91/94/06/1067919406.db2.gz XBDOGHYBNVSXMH-WIRSXHRWSA-N 1 1 460.623 3.126 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875733 1067919413 /nfs/dbraw/zinc/91/94/13/1067919413.db2.gz XBDOGHYBNVSXMH-WIRSXHRWSA-N 1 1 460.623 3.126 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303390643 1067920227 /nfs/dbraw/zinc/92/02/27/1067920227.db2.gz XNVBQHOSJLAQEV-LJQANCHMSA-N 1 1 482.551 3.096 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCCCC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001303393751 1067922421 /nfs/dbraw/zinc/92/24/21/1067922421.db2.gz PENRURJHBMSBKD-HXUWFJFHSA-N 1 1 454.619 3.066 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCCCC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001303393751 1067922428 /nfs/dbraw/zinc/92/24/28/1067922428.db2.gz PENRURJHBMSBKD-HXUWFJFHSA-N 1 1 454.619 3.066 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001303396398 1067923777 /nfs/dbraw/zinc/92/37/77/1067923777.db2.gz CQFJQSSXPJFKEF-UHFFFAOYSA-N 1 1 467.662 3.180 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001303396520 1067923822 /nfs/dbraw/zinc/92/38/22/1067923822.db2.gz JHSMURKALUDZOY-UHFFFAOYSA-N 1 1 468.524 3.284 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001303397220 1067925522 /nfs/dbraw/zinc/92/55/22/1067925522.db2.gz FWAPKUSQOPDXRO-RBUKOAKNSA-N 1 1 496.582 3.156 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCOCC1(C)C ZINC001304881578 1067926394 /nfs/dbraw/zinc/92/63/94/1067926394.db2.gz JFVBSJFYDUXDEG-UHFFFAOYSA-N 1 1 492.422 3.388 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCOCC1(C)C ZINC001304881578 1067926398 /nfs/dbraw/zinc/92/63/98/1067926398.db2.gz JFVBSJFYDUXDEG-UHFFFAOYSA-N 1 1 492.422 3.388 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C(C)C ZINC001304883952 1067928374 /nfs/dbraw/zinc/92/83/74/1067928374.db2.gz HXMDRKRVNBUPQA-FQEVSTJZSA-N 1 1 491.637 3.168 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(CC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001304890179 1067934400 /nfs/dbraw/zinc/93/44/00/1067934400.db2.gz XSCOOIDDKTXAGL-HXUWFJFHSA-N 1 1 459.639 3.083 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001303408371 1067935390 /nfs/dbraw/zinc/93/53/90/1067935390.db2.gz VBTLXCKCZYILFK-OAQYLSRUSA-N 1 1 467.662 3.001 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001303408961 1067935686 /nfs/dbraw/zinc/93/56/86/1067935686.db2.gz BQGPIEFKBNYLSR-UHFFFAOYSA-N 1 1 490.580 3.450 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001303410837 1067937323 /nfs/dbraw/zinc/93/73/23/1067937323.db2.gz ZRPPHSBKYOJSLH-RPWUZVMVSA-N 1 1 498.672 3.131 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303413853 1067939743 /nfs/dbraw/zinc/93/97/43/1067939743.db2.gz FILJEAZRLQOPJX-LVXARBLLSA-N 1 1 468.646 3.433 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303416046 1067943730 /nfs/dbraw/zinc/94/37/30/1067943730.db2.gz ZSSXIGKQZDBYIT-OAQYLSRUSA-N 1 1 490.599 3.394 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303417005 1067944892 /nfs/dbraw/zinc/94/48/92/1067944892.db2.gz RIOISACQDJVJHJ-WMZOPIPTSA-N 1 1 489.690 3.231 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001303417163 1067944908 /nfs/dbraw/zinc/94/49/08/1067944908.db2.gz VTZJYXIIERWBDF-LJQANCHMSA-N 1 1 475.663 3.105 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303419711 1067945928 /nfs/dbraw/zinc/94/59/28/1067945928.db2.gz FOAMLXCCLHDMNN-HXUWFJFHSA-N 1 1 478.707 3.173 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303421872 1067947570 /nfs/dbraw/zinc/94/75/70/1067947570.db2.gz ZRZLUBJOFQQUPD-NHCUHLMSSA-N 1 1 456.610 3.480 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)C1 ZINC001304910765 1067953630 /nfs/dbraw/zinc/95/36/30/1067953630.db2.gz IPQDXFVBAYEKMK-QRBPQYNOSA-N 1 1 469.671 3.121 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304912339 1067956136 /nfs/dbraw/zinc/95/61/36/1067956136.db2.gz NNCKAKYRZZHLFU-DNVJHFABSA-N 1 1 487.737 3.148 20 0 JGADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912920 1067956755 /nfs/dbraw/zinc/95/67/55/1067956755.db2.gz RIFXWGUNFWBIRM-WOZUAGRISA-N 1 1 490.718 3.278 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001303435459 1067958566 /nfs/dbraw/zinc/95/85/66/1067958566.db2.gz RZKUMENQEDNVPQ-QZTJIDSGSA-N 1 1 458.582 3.002 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001303435458 1067958583 /nfs/dbraw/zinc/95/85/83/1067958583.db2.gz RZKUMENQEDNVPQ-MSOLQXFVSA-N 1 1 458.582 3.002 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303435826 1067958737 /nfs/dbraw/zinc/95/87/37/1067958737.db2.gz FGVGAAOLHJDFQQ-IBGZPJMESA-N 1 1 468.602 3.153 20 0 JGADMO CC(C)[N@H+](C)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001304916142 1067959784 /nfs/dbraw/zinc/95/97/84/1067959784.db2.gz DTQFJRJUIWZTRO-DNQXCXABSA-N 1 1 467.706 3.465 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001304916142 1067959789 /nfs/dbraw/zinc/95/97/89/1067959789.db2.gz DTQFJRJUIWZTRO-DNQXCXABSA-N 1 1 467.706 3.465 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001304917607 1067960453 /nfs/dbraw/zinc/96/04/53/1067960453.db2.gz MEIDBXYPSROFAB-AWWSKVOZSA-N 1 1 488.702 3.281 20 0 JGADMO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001304918500 1067961171 /nfs/dbraw/zinc/96/11/71/1067961171.db2.gz HFPOHRFDTLWLHT-PZPWOCDFSA-N 1 1 466.399 3.396 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303438303 1067962485 /nfs/dbraw/zinc/96/24/85/1067962485.db2.gz WDXAEQIYMYPYAT-FQEVSTJZSA-N 1 1 495.628 3.062 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303440960 1067963152 /nfs/dbraw/zinc/96/31/52/1067963152.db2.gz MCQJGIJIPYQUDM-NFBKMPQASA-N 1 1 484.645 3.406 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303441094 1067963664 /nfs/dbraw/zinc/96/36/64/1067963664.db2.gz OOMVAHQQURCFFH-UGKGYDQZSA-N 1 1 470.618 3.016 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001303442206 1067964374 /nfs/dbraw/zinc/96/43/74/1067964374.db2.gz STIJRJTUHBWVJU-JOCHJYFZSA-N 1 1 456.635 3.369 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001303442744 1067964799 /nfs/dbraw/zinc/96/47/99/1067964799.db2.gz CNEMVUDZOBXRCZ-NRFANRHFSA-N 1 1 465.646 3.362 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304923221 1067964811 /nfs/dbraw/zinc/96/48/11/1067964811.db2.gz AJBPRVCMPSTZBC-VWPQPMDRSA-N 1 1 460.667 3.370 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cccnc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001304923523 1067965451 /nfs/dbraw/zinc/96/54/51/1067965451.db2.gz BXIDRFIUJJGNJZ-VWPQPMDRSA-N 1 1 474.675 3.112 20 0 JGADMO CC(C)NC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001303443931 1067966085 /nfs/dbraw/zinc/96/60/85/1067966085.db2.gz HXEHKEIRKMHSSK-GOSISDBHSA-N 1 1 486.617 3.466 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001304924186 1067966528 /nfs/dbraw/zinc/96/65/28/1067966528.db2.gz HXVXTWHNBSDGMI-OYRHEFFESA-N 1 1 467.662 3.403 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(COc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)C1 ZINC001304924518 1067967334 /nfs/dbraw/zinc/96/73/34/1067967334.db2.gz IBMVDAOBGCDCES-KDURUIRLSA-N 1 1 475.037 3.205 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304925195 1067968540 /nfs/dbraw/zinc/96/85/40/1067968540.db2.gz LGOLRTJTQMINEK-VXNXHJTFSA-N 1 1 490.737 3.477 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925310 1067968668 /nfs/dbraw/zinc/96/86/68/1067968668.db2.gz LGMPDFMAOSXMFC-XJUOHMSHSA-N 1 1 474.694 3.427 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925886 1067969448 /nfs/dbraw/zinc/96/94/48/1067969448.db2.gz PGRNQMUHKXCDGJ-OYRHEFFESA-N 1 1 460.667 3.324 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001303448338 1067969691 /nfs/dbraw/zinc/96/96/91/1067969691.db2.gz QIXDCMFKRSPXKS-UHFFFAOYSA-N 1 1 463.424 3.153 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926488 1067970342 /nfs/dbraw/zinc/97/03/42/1067970342.db2.gz PGFGBWCZHPKQMR-ZCNNSNEGSA-N 1 1 498.738 3.040 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2C2CCC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926606 1067970681 /nfs/dbraw/zinc/97/06/81/1067970681.db2.gz SPADVOTZNMYZSG-RCLSDMTESA-N 1 1 466.696 3.025 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001304927283 1067972980 /nfs/dbraw/zinc/97/29/80/1067972980.db2.gz TZPCFLJMJFZDDC-HSALFYBXSA-N 1 1 458.676 3.355 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927223 1067972987 /nfs/dbraw/zinc/97/29/87/1067972987.db2.gz VVGCGNVZFRHSOQ-ZCNNSNEGSA-N 1 1 450.697 3.362 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304927632 1067973817 /nfs/dbraw/zinc/97/38/17/1067973817.db2.gz XCGZDGPZSGRKNC-BHIFYINESA-N 1 1 484.693 3.035 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927881 1067974808 /nfs/dbraw/zinc/97/48/08/1067974808.db2.gz YPOPQAGVLVWYPA-FGTMMUONSA-N 1 1 483.082 3.231 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304929063 1067977051 /nfs/dbraw/zinc/97/70/51/1067977051.db2.gz YUZWKMDACXKCSW-HSALFYBXSA-N 1 1 484.645 3.175 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001304929325 1067977384 /nfs/dbraw/zinc/97/73/84/1067977384.db2.gz VDHLNMGGBRFITH-ATLLOTDBSA-N 1 1 474.600 3.217 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001304929491 1067977891 /nfs/dbraw/zinc/97/78/91/1067977891.db2.gz WRAVSTUNNZYKPS-QHAWAJNXSA-N 1 1 482.739 3.051 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C1 ZINC001304929645 1067978460 /nfs/dbraw/zinc/97/84/60/1067978460.db2.gz XLKNNCQFAFLCBN-OYRHEFFESA-N 1 1 482.673 3.459 20 0 JGADMO C[C@H]1C[C@@H](CCn2c(-c3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC001304938146 1067987101 /nfs/dbraw/zinc/98/71/01/1067987101.db2.gz LYADQMRZFORPFK-SFTDATJTSA-N 1 1 456.635 3.340 20 0 JGADMO C[C@@H]1C[C@@H](CCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001304938690 1067987605 /nfs/dbraw/zinc/98/76/05/1067987605.db2.gz OIFIXRAVQXMHIY-IFMALSPDSA-N 1 1 490.656 3.387 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001304942256 1067993324 /nfs/dbraw/zinc/99/33/24/1067993324.db2.gz XBKGUGJPYRAKQZ-KCZVDYSFSA-N 1 1 484.670 3.443 20 0 JGADMO C[C@H]1C[C@@H](N(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001304947834 1067999163 /nfs/dbraw/zinc/99/91/63/1067999163.db2.gz HHYHTMHYNMBXSA-YSIASYRMSA-N 1 1 494.562 3.297 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC001303480219 1067999915 /nfs/dbraw/zinc/99/99/15/1067999915.db2.gz AQRSRMAAYPHGPS-UMEGOILYSA-N 1 1 475.634 3.436 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001303480226 1067999939 /nfs/dbraw/zinc/99/99/39/1067999939.db2.gz ARSZQNUZTFYVLE-UUOWRZLLSA-N 1 1 494.084 3.462 20 0 JGADMO C[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001304950217 1068000079 /nfs/dbraw/zinc/00/00/79/1068000079.db2.gz MVCGTFXMLJRFID-YMPZKCBVSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2cccs2)CCOC1 ZINC001303480421 1068000308 /nfs/dbraw/zinc/00/03/08/1068000308.db2.gz AWVKPNMFJUFCPL-DEOSSOPVSA-N 1 1 477.675 3.223 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001304951938 1068000482 /nfs/dbraw/zinc/00/04/82/1068000482.db2.gz PGWOIBWBXUDDKE-KNQAVFIVSA-N 1 1 488.702 3.408 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2C[C@H]2C)CC1 ZINC001304951937 1068000520 /nfs/dbraw/zinc/00/05/20/1068000520.db2.gz PGWOIBWBXUDDKE-DENIHFKCSA-N 1 1 488.702 3.408 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001304958470 1068003767 /nfs/dbraw/zinc/00/37/67/1068003767.db2.gz ICIXPCAITQUDAZ-FFHOAYQKSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccccc2F)CCOC1 ZINC001303488129 1068011509 /nfs/dbraw/zinc/01/15/09/1068011509.db2.gz XMNANOVOGBZURN-DFIYOIEZSA-N 1 1 475.609 3.052 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccccc2F)CCOC1 ZINC001303488129 1068011523 /nfs/dbraw/zinc/01/15/23/1068011523.db2.gz XMNANOVOGBZURN-DFIYOIEZSA-N 1 1 475.609 3.052 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304971643 1068011885 /nfs/dbraw/zinc/01/18/85/1068011885.db2.gz ZHOGLQDVARJBEN-VLOYRQLPSA-N 1 1 454.685 3.024 20 0 JGADMO CC1CCC(N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001304973556 1068013538 /nfs/dbraw/zinc/01/35/38/1068013538.db2.gz AEZQYKMHGGHOBI-SIESXHNESA-N 1 1 490.693 3.474 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001304974626 1068014203 /nfs/dbraw/zinc/01/42/03/1068014203.db2.gz KIGQXEROHQBRAZ-RKDVLTNBSA-N 1 1 451.681 3.316 20 0 JGADMO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC001304977682 1068016788 /nfs/dbraw/zinc/01/67/88/1068016788.db2.gz TUAFEUHRDNCWGN-HSALFYBXSA-N 1 1 474.675 3.251 20 0 JGADMO COc1ccc2cc(/C=C\C(=O)N[C@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)ccc2c1 ZINC001303492149 1068017757 /nfs/dbraw/zinc/01/77/57/1068017757.db2.gz LNBULWKXLMRUOC-HJZLBAKVSA-N 1 1 457.574 3.363 20 0 JGADMO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001303492949 1068018005 /nfs/dbraw/zinc/01/80/05/1068018005.db2.gz IGDAAGAYXLGOPU-CJBMVKJXSA-N 1 1 471.461 3.344 20 0 JGADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303493332 1068018715 /nfs/dbraw/zinc/01/87/15/1068018715.db2.gz RNZGGFLRBRVAPK-AVRDEDQJSA-N 1 1 455.986 3.050 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[C@@H]2CCOC2)CCOC1 ZINC001303494286 1068020091 /nfs/dbraw/zinc/02/00/91/1068020091.db2.gz KHHXOHDYSHRYTI-RDGATRHJSA-N 1 1 463.667 3.302 20 0 JGADMO COCCOc1ccc(Cl)cc1C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001303498205 1068026081 /nfs/dbraw/zinc/02/60/81/1068026081.db2.gz QTKIMKGFAUVGEI-UHFFFAOYSA-N 1 1 455.983 3.084 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCCC4(CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303500132 1068027011 /nfs/dbraw/zinc/02/70/11/1068027011.db2.gz GPARDSFJFZPBNF-RUZDIDTESA-N 1 1 463.667 3.446 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCNC(=O)OC(C)(C)C)CCOC1 ZINC001303500185 1068027449 /nfs/dbraw/zinc/02/74/49/1068027449.db2.gz HPWKLIAVAOPKMD-VWLOTQADSA-N 1 1 494.681 3.154 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2cccc(N(C)C)c2)CCOC1 ZINC001303500990 1068028471 /nfs/dbraw/zinc/02/84/71/1068028471.db2.gz KOHPCVAXKXUZHE-SANMLTNESA-N 1 1 470.662 3.354 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001304989154 1068031424 /nfs/dbraw/zinc/03/14/24/1068031424.db2.gz RBTQVJHMQBSXRW-BWKNWUBXSA-N 1 1 457.667 3.331 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304994126 1068036248 /nfs/dbraw/zinc/03/62/48/1068036248.db2.gz BRMZPRVNBNLNKR-XPWALMASSA-N 1 1 487.737 3.339 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303504036 1068036426 /nfs/dbraw/zinc/03/64/26/1068036426.db2.gz UCIRKNBCVAUQJX-YIXXDRMTSA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303504036 1068036436 /nfs/dbraw/zinc/03/64/36/1068036436.db2.gz UCIRKNBCVAUQJX-YIXXDRMTSA-N 1 1 484.689 3.370 20 0 JGADMO C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304995545 1068037717 /nfs/dbraw/zinc/03/77/17/1068037717.db2.gz JVAPONRYDVDKKJ-HOYKHHGWSA-N 1 1 477.053 3.339 20 0 JGADMO C[C@@H]1CCCC[C@H]1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305000805 1068043414 /nfs/dbraw/zinc/04/34/14/1068043414.db2.gz AELNNISVIPHPKE-NJDAHSKKSA-N 1 1 481.707 3.086 20 0 JGADMO C[C@@H]1CCCC[C@@H]1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305002144 1068044457 /nfs/dbraw/zinc/04/44/57/1068044457.db2.gz DWLSYTNWIKFMMO-FSSWDIPSSA-N 1 1 495.734 3.334 20 0 JGADMO C[C@@H]1CCCC[C@@H]1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305002146 1068044512 /nfs/dbraw/zinc/04/45/12/1068044512.db2.gz DWLSYTNWIKFMMO-VSKRKVRLSA-N 1 1 495.734 3.334 20 0 JGADMO C[C@@H]1CCCC[C@H]1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305002149 1068044657 /nfs/dbraw/zinc/04/46/57/1068044657.db2.gz DWLSYTNWIKFMMO-YPAWHYETSA-N 1 1 495.734 3.334 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303510297 1068044949 /nfs/dbraw/zinc/04/49/49/1068044949.db2.gz SJAVABRUEHSPRV-SEDAZVQISA-N 1 1 499.647 3.403 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001303511087 1068046463 /nfs/dbraw/zinc/04/64/63/1068046463.db2.gz RPAMVGCRPGUCBP-LLHPUKMZSA-N 1 1 492.064 3.482 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001305007511 1068049298 /nfs/dbraw/zinc/04/92/98/1068049298.db2.gz FABGQXVQDFHSGI-MOPGFXCFSA-N 1 1 474.675 3.305 20 0 JGADMO C[C@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001305007277 1068049338 /nfs/dbraw/zinc/04/93/38/1068049338.db2.gz DKDVQNLOZWHQTG-FQEVSTJZSA-N 1 1 488.702 3.001 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001305007512 1068049402 /nfs/dbraw/zinc/04/94/02/1068049402.db2.gz FABGQXVQDFHSGI-OALUTQOASA-N 1 1 474.675 3.305 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001305012054 1068052497 /nfs/dbraw/zinc/05/24/97/1068052497.db2.gz IEAYFLLTLWAJIC-VJANTYMQSA-N 1 1 498.694 3.189 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001305012054 1068052513 /nfs/dbraw/zinc/05/25/13/1068052513.db2.gz IEAYFLLTLWAJIC-VJANTYMQSA-N 1 1 498.694 3.189 20 0 JGADMO CNC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001303520579 1068053064 /nfs/dbraw/zinc/05/30/64/1068053064.db2.gz JNGPXNDYCQBRMP-XPWALMASSA-N 1 1 455.002 3.476 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 ZINC001305013492 1068053886 /nfs/dbraw/zinc/05/38/86/1068053886.db2.gz JSJLYRAOAOXVGK-QGZVFWFLSA-N 1 1 452.594 3.093 20 0 JGADMO CC(C)OC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)CC1 ZINC001303524747 1068054816 /nfs/dbraw/zinc/05/48/16/1068054816.db2.gz HNLRPWVHUUNSLV-UHFFFAOYSA-N 1 1 495.466 3.162 20 0 JGADMO CC(C)OC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001303525011 1068055204 /nfs/dbraw/zinc/05/52/04/1068055204.db2.gz WWCUCYAZHDGCHN-UHFFFAOYSA-N 1 1 470.666 3.186 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305014667 1068056036 /nfs/dbraw/zinc/05/60/36/1068056036.db2.gz UKCDRUCQBKOUSY-KSFYIVLOSA-N 1 1 492.466 3.392 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001305015346 1068057246 /nfs/dbraw/zinc/05/72/46/1068057246.db2.gz DNJPGZZSYRVUPK-CZSZKKDXSA-N 1 1 495.734 3.476 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCSCCCO)C1 ZINC001305015277 1068057326 /nfs/dbraw/zinc/05/73/26/1068057326.db2.gz VOEHEFLZACYQSS-FSSWDIPSSA-N 1 1 465.708 3.379 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001303529849 1068057757 /nfs/dbraw/zinc/05/77/57/1068057757.db2.gz DKZKPDZSJLRGCU-HSALFYBXSA-N 1 1 451.656 3.094 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001305018226 1068063047 /nfs/dbraw/zinc/06/30/47/1068063047.db2.gz HNUMSHKZDZWVAX-NHCUHLMSSA-N 1 1 452.647 3.241 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305018527 1068063169 /nfs/dbraw/zinc/06/31/69/1068063169.db2.gz NUTSETKZAYFJJD-UXHICEINSA-N 1 1 456.610 3.330 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001305018653 1068063639 /nfs/dbraw/zinc/06/36/39/1068063639.db2.gz UJIRUFMHQMQFBA-IFMALSPDSA-N 1 1 499.660 3.335 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCO1 ZINC001303535463 1068063670 /nfs/dbraw/zinc/06/36/70/1068063670.db2.gz DSXBHLNHKDGWPP-ZEQRLZLVSA-N 1 1 485.673 3.112 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305018958 1068064781 /nfs/dbraw/zinc/06/47/81/1068064781.db2.gz UZZVSMDVNWZLLI-QHAWAJNXSA-N 1 1 476.666 3.492 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN(C)c1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC001305019602 1068065612 /nfs/dbraw/zinc/06/56/12/1068065612.db2.gz NFUKAIGKLKJSRK-VXKWHMMOSA-N 1 1 467.662 3.207 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305020376 1068068121 /nfs/dbraw/zinc/06/81/21/1068068121.db2.gz PBKLSNBFVFCBJL-QZTJIDSGSA-N 1 1 474.600 3.359 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305020567 1068068921 /nfs/dbraw/zinc/06/89/21/1068068921.db2.gz CHCOOZQHEHWQPY-HKUYNNGSSA-N 1 1 493.578 3.355 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001305020656 1068068974 /nfs/dbraw/zinc/06/89/74/1068068974.db2.gz SCNJGGMDYFFIFZ-RBBKRZOGSA-N 1 1 452.647 3.276 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)CCO1 ZINC001303539408 1068069098 /nfs/dbraw/zinc/06/90/98/1068069098.db2.gz SUZQYCXFLJLNKX-UXHICEINSA-N 1 1 461.582 3.111 20 0 JGADMO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001305021147 1068070267 /nfs/dbraw/zinc/07/02/67/1068070267.db2.gz WVDWEAHCEXUJAX-FGZHOGPDSA-N 1 1 487.737 3.310 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCNC(=O)CC2)C1 ZINC001305021362 1068070511 /nfs/dbraw/zinc/07/05/11/1068070511.db2.gz VJIBQYYIMWLPSK-OAQYLSRUSA-N 1 1 452.647 3.290 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001305021902 1068071982 /nfs/dbraw/zinc/07/19/82/1068071982.db2.gz INTCZNMJKYQDBB-MSOLQXFVSA-N 1 1 482.599 3.262 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001305021907 1068072356 /nfs/dbraw/zinc/07/23/56/1068072356.db2.gz INTCZNMJKYQDBB-QZTJIDSGSA-N 1 1 482.599 3.262 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022368 1068073235 /nfs/dbraw/zinc/07/32/35/1068073235.db2.gz BJHJBPCYXFWFIN-TVFCKZIOSA-N 1 1 498.644 3.484 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305022310 1068073329 /nfs/dbraw/zinc/07/33/29/1068073329.db2.gz AUSVKUHRFCVCCZ-QYZOEREBSA-N 1 1 455.607 3.050 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022728 1068073737 /nfs/dbraw/zinc/07/37/37/1068073737.db2.gz CXWHGWGVPJXRFE-FGTMMUONSA-N 1 1 451.612 3.074 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022733 1068074015 /nfs/dbraw/zinc/07/40/15/1068074015.db2.gz CXWHGWGVPJXRFE-SQNIBIBYSA-N 1 1 451.612 3.074 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305022707 1068074097 /nfs/dbraw/zinc/07/40/97/1068074097.db2.gz MOZDKCCDQPIVPW-ZWKOTPCHSA-N 1 1 493.578 3.355 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022957 1068074463 /nfs/dbraw/zinc/07/44/63/1068074463.db2.gz OIJZKYPRFPWYOJ-MSOLQXFVSA-N 1 1 494.731 3.413 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001305023025 1068074481 /nfs/dbraw/zinc/07/44/81/1068074481.db2.gz PGLDIMIRKNRPID-HHJKRLRDSA-N 1 1 460.667 3.381 20 0 JGADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001305023130 1068075469 /nfs/dbraw/zinc/07/54/69/1068075469.db2.gz ASHFHEURGNWJNV-ZWKOTPCHSA-N 1 1 483.629 3.138 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001305023402 1068075751 /nfs/dbraw/zinc/07/57/51/1068075751.db2.gz RLKXUSBNOGDGIF-ZWKOTPCHSA-N 1 1 457.648 3.378 20 0 JGADMO CC(C)OCCCn1c(-c2ccccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303549121 1068075793 /nfs/dbraw/zinc/07/57/93/1068075793.db2.gz XTBHURPKWODTMK-OYRHEFFESA-N 1 1 456.635 3.481 20 0 JGADMO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023383 1068076101 /nfs/dbraw/zinc/07/61/01/1068076101.db2.gz HDVSYOJWHZRHAX-BZUAXINKSA-N 1 1 493.425 3.279 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001305023400 1068076157 /nfs/dbraw/zinc/07/61/57/1068076157.db2.gz RLKXUSBNOGDGIF-ROUUACIJSA-N 1 1 457.648 3.378 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023385 1068076187 /nfs/dbraw/zinc/07/61/87/1068076187.db2.gz HDVSYOJWHZRHAX-OWCLPIDISA-N 1 1 493.425 3.279 20 0 JGADMO CC(C)OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001303550321 1068076881 /nfs/dbraw/zinc/07/68/81/1068076881.db2.gz NHLQMFWUBUQZGI-GMAHTHKFSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303550321 1068076895 /nfs/dbraw/zinc/07/68/95/1068076895.db2.gz NHLQMFWUBUQZGI-GMAHTHKFSA-N 1 1 489.686 3.096 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024008 1068077469 /nfs/dbraw/zinc/07/74/69/1068077469.db2.gz JZSJEBLADZZSEF-GUDVDZBRSA-N 1 1 467.584 3.477 20 0 JGADMO CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305024249 1068077906 /nfs/dbraw/zinc/07/79/06/1068077906.db2.gz XIXLTILVZHRKMY-IBGZPJMESA-N 1 1 483.661 3.454 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024372 1068078315 /nfs/dbraw/zinc/07/83/15/1068078315.db2.gz LALNRHVKUJTQHN-HKBOAZHASA-N 1 1 489.686 3.332 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024541 1068078956 /nfs/dbraw/zinc/07/89/56/1068078956.db2.gz GYACATFJGVSSFO-RTWAWAEBSA-N 1 1 467.662 3.079 20 0 JGADMO CC(C)OCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303554634 1068079593 /nfs/dbraw/zinc/07/95/93/1068079593.db2.gz AYJDJSHFAHLFRZ-XMMPIXPASA-N 1 1 461.582 3.112 20 0 JGADMO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001303555044 1068080562 /nfs/dbraw/zinc/08/05/62/1068080562.db2.gz WIDZSSKTXAKTAI-JTHBVZDNSA-N 1 1 468.646 3.428 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305026124 1068081702 /nfs/dbraw/zinc/08/17/02/1068081702.db2.gz PVSJTISRLZANNN-YUMYIRISSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026372 1068082257 /nfs/dbraw/zinc/08/22/57/1068082257.db2.gz WPDSAWCKUHETDH-AQNXPRMDSA-N 1 1 464.655 3.252 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305026631 1068082291 /nfs/dbraw/zinc/08/22/91/1068082291.db2.gz XAFDFBCVFGBTDG-ROUUACIJSA-N 1 1 495.093 3.237 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027263 1068083642 /nfs/dbraw/zinc/08/36/42/1068083642.db2.gz UXFJQBIXYGMPBS-CEXWTWQISA-N 1 1 490.590 3.315 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028295 1068084579 /nfs/dbraw/zinc/08/45/79/1068084579.db2.gz YCBHWTVMQLEUAT-FGZHOGPDSA-N 1 1 467.662 3.079 20 0 JGADMO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028358 1068085237 /nfs/dbraw/zinc/08/52/37/1068085237.db2.gz YRNLYBUKKCKLIN-GGPKGHCWSA-N 1 1 459.038 3.344 20 0 JGADMO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028566 1068085746 /nfs/dbraw/zinc/08/57/46/1068085746.db2.gz ZYWSJFUIAJXVGT-CVEARBPZSA-N 1 1 465.524 3.203 20 0 JGADMO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028628 1068086105 /nfs/dbraw/zinc/08/61/05/1068086105.db2.gz HZGBFICOXXFHKE-VSKRKVRLSA-N 1 1 452.647 3.241 20 0 JGADMO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028795 1068086286 /nfs/dbraw/zinc/08/62/86/1068086286.db2.gz KLVJRQPCQAZJJK-HBFSDRIKSA-N 1 1 496.077 3.254 20 0 JGADMO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028796 1068086974 /nfs/dbraw/zinc/08/69/74/1068086974.db2.gz KLVJRQPCQAZJJK-QWFCFKBJSA-N 1 1 496.077 3.254 20 0 JGADMO CC(C)OCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001303564627 1068087418 /nfs/dbraw/zinc/08/74/18/1068087418.db2.gz VROALVLAMZISGD-UHFFFAOYSA-N 1 1 473.572 3.018 20 0 JGADMO C[C@H](Cn1c(CCc2ccccc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305029924 1068087794 /nfs/dbraw/zinc/08/77/94/1068087794.db2.gz TWSJMFSMDFYDRD-CZYKHXBRSA-N 1 1 475.703 3.442 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1 ZINC001305032159 1068089283 /nfs/dbraw/zinc/08/92/83/1068089283.db2.gz FEPUOWALYZUVLA-WOJBJXKFSA-N 1 1 476.691 3.403 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2F)CC1 ZINC001303567210 1068090470 /nfs/dbraw/zinc/09/04/70/1068090470.db2.gz RTPOUYBZLQLWLO-RUZDIDTESA-N 1 1 493.599 3.192 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001303571418 1068095977 /nfs/dbraw/zinc/09/59/77/1068095977.db2.gz KKEHNXSDOMPHMQ-JTHBVZDNSA-N 1 1 459.610 3.106 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001303571449 1068096307 /nfs/dbraw/zinc/09/63/07/1068096307.db2.gz KWCBMSHVXUSLLK-RTWAWAEBSA-N 1 1 475.609 3.326 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cscc2C(F)(F)F)CC1 ZINC001303571213 1068096370 /nfs/dbraw/zinc/09/63/70/1068096370.db2.gz IVTANECXMIBDNJ-MRXNPFEDSA-N 1 1 473.565 3.458 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001303571248 1068096516 /nfs/dbraw/zinc/09/65/16/1068096516.db2.gz JZLUHDVTAKFSEE-XMSQKQJNSA-N 1 1 463.573 3.119 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Nc3cnn(C)c3)nnc2-c2cccc(S(C)(=O)=O)c2)C1 ZINC001305041617 1068096515 /nfs/dbraw/zinc/09/65/15/1068096515.db2.gz FSMZWIWGTJNLMG-GOSISDBHSA-N 1 1 471.631 3.338 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCSCC2)C1 ZINC001305041601 1068096601 /nfs/dbraw/zinc/09/66/01/1068096601.db2.gz FIQQRKPVTWXZIP-KRWDZBQOSA-N 1 1 463.051 3.147 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305041999 1068097045 /nfs/dbraw/zinc/09/70/45/1068097045.db2.gz GYPBCLAITMKLTE-GPQLQYNLSA-N 1 1 462.683 3.409 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCSCC(F)(F)F)CC1 ZINC001303572072 1068097303 /nfs/dbraw/zinc/09/73/03/1068097303.db2.gz VKYMWXJADIUFJU-KRWDZBQOSA-N 1 1 465.586 3.362 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(F)c(F)c2)CC1 ZINC001303572218 1068097528 /nfs/dbraw/zinc/09/75/28/1068097528.db2.gz YZYUIHUESMPKBI-UHFFFAOYSA-N 1 1 470.568 3.332 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001303572409 1068097876 /nfs/dbraw/zinc/09/78/76/1068097876.db2.gz GPMVHTJZNLJNGA-XSDIEEQYSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001303572408 1068097906 /nfs/dbraw/zinc/09/79/06/1068097906.db2.gz GPMVHTJZNLJNGA-UWHLTILDSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001303572513 1068098057 /nfs/dbraw/zinc/09/80/57/1068098057.db2.gz JWUHOFRATAKYHC-SFTDATJTSA-N 1 1 475.609 3.216 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305043136 1068099816 /nfs/dbraw/zinc/09/98/16/1068099816.db2.gz NUZXTEORSFZVPF-TZIWHRDSSA-N 1 1 458.607 3.099 20 0 JGADMO CC(C)SCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303574820 1068100081 /nfs/dbraw/zinc/10/00/81/1068100081.db2.gz QVQRFOYFZUTJTA-HXUWFJFHSA-N 1 1 477.078 3.483 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCOc2ccc(F)cc2)C1 ZINC001305043837 1068100111 /nfs/dbraw/zinc/10/01/11/1068100111.db2.gz TVTJLKYSPUDTJT-IBGZPJMESA-N 1 1 481.576 3.312 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001305043688 1068100327 /nfs/dbraw/zinc/10/03/27/1068100327.db2.gz SKFWKQCFVUIRFN-DLBZAZTESA-N 1 1 465.524 3.436 20 0 JGADMO CC(C)N(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044111 1068100813 /nfs/dbraw/zinc/10/08/13/1068100813.db2.gz WQWSAARZVJKWMF-QZTJIDSGSA-N 1 1 468.693 3.097 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001305044803 1068102009 /nfs/dbraw/zinc/10/20/09/1068102009.db2.gz AKMALFNXKTZTFY-AOIWGVFYSA-N 1 1 452.525 3.152 20 0 JGADMO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044839 1068102047 /nfs/dbraw/zinc/10/20/47/1068102047.db2.gz BCAMPYZEOPGUSV-CTNGQTDRSA-N 1 1 477.650 3.466 20 0 JGADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044830 1068102058 /nfs/dbraw/zinc/10/20/58/1068102058.db2.gz AVQVSBTTYOUHQJ-RTBURBONSA-N 1 1 476.691 3.443 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305046121 1068103995 /nfs/dbraw/zinc/10/39/95/1068103995.db2.gz HGAKSSUUBYWTHK-MHTWAQMVSA-N 1 1 476.666 3.253 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305046910 1068104649 /nfs/dbraw/zinc/10/46/49/1068104649.db2.gz CURBOYJBMSKKDI-DXBBTUNJSA-N 1 1 495.734 3.332 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccsc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305047107 1068105335 /nfs/dbraw/zinc/10/53/35/1068105335.db2.gz LPNRQQLVIPQLHR-ICSRJNTNSA-N 1 1 465.689 3.066 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCc3nn(C)c(=O)cc3C2)C1 ZINC001305047530 1068105891 /nfs/dbraw/zinc/10/58/91/1068105891.db2.gz LARDBODZSMKOCW-IBGZPJMESA-N 1 1 455.651 3.035 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cc(Br)cn3C)nnc2N(C)CCCCCO)C1 ZINC001305047211 1068105997 /nfs/dbraw/zinc/10/59/97/1068105997.db2.gz BXTRAYHQJBHXNW-KRWDZBQOSA-N 1 1 467.456 3.377 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001305047655 1068106692 /nfs/dbraw/zinc/10/66/92/1068106692.db2.gz LWAAUTDJVZPSAY-VQTJNVASSA-N 1 1 472.600 3.369 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001305048399 1068107199 /nfs/dbraw/zinc/10/71/99/1068107199.db2.gz MNMGLXHPRHNUFV-MSOLQXFVSA-N 1 1 491.624 3.471 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C(F)F)C2)C1 ZINC001305048668 1068107925 /nfs/dbraw/zinc/10/79/25/1068107925.db2.gz LANFMHBAQUYOCP-SJORKVTESA-N 1 1 466.602 3.483 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@H](C)C2)CC1)C(F)(F)F ZINC001305049560 1068109924 /nfs/dbraw/zinc/10/99/24/1068109924.db2.gz JIXZUAKGBAHPRM-ROUUACIJSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccccc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305049924 1068110405 /nfs/dbraw/zinc/11/04/05/1068110405.db2.gz KPCVMBLXUXGITM-MJGOQNOKSA-N 1 1 464.536 3.182 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)C1 ZINC001305049854 1068110440 /nfs/dbraw/zinc/11/04/40/1068110440.db2.gz KBAPTZGNLGGKKP-QYZOEREBSA-N 1 1 477.700 3.411 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)[C@@H]2C)C1 ZINC001305049851 1068110453 /nfs/dbraw/zinc/11/04/53/1068110453.db2.gz KBAPTZGNLGGKKP-CEXWTWQISA-N 1 1 477.700 3.411 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccccc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305049926 1068110537 /nfs/dbraw/zinc/11/05/37/1068110537.db2.gz KPCVMBLXUXGITM-PKOBYXMFSA-N 1 1 464.536 3.182 20 0 JGADMO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303590757 1068111181 /nfs/dbraw/zinc/11/11/81/1068111181.db2.gz DTZXEBDMNPGDHG-IEBWSBKVSA-N 1 1 463.623 3.391 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001305050115 1068111339 /nfs/dbraw/zinc/11/13/39/1068111339.db2.gz RUQIIWBGQXYAQH-FQEVSTJZSA-N 1 1 489.686 3.476 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303591174 1068111647 /nfs/dbraw/zinc/11/16/47/1068111647.db2.gz XZDQYRCKELHEME-GGPKGHCWSA-N 1 1 463.573 3.495 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001305050322 1068111786 /nfs/dbraw/zinc/11/17/86/1068111786.db2.gz WKNKPKVAITYDQZ-QHAWAJNXSA-N 1 1 476.666 3.350 20 0 JGADMO C[C@H]1CCC[N@H+](CCn2c(N3CCN(C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050145 1068111861 /nfs/dbraw/zinc/11/18/61/1068111861.db2.gz SNCJQAOKVFMHNI-GMAHTHKFSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(N3CCN(C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050145 1068111865 /nfs/dbraw/zinc/11/18/65/1068111865.db2.gz SNCJQAOKVFMHNI-GMAHTHKFSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303591618 1068112281 /nfs/dbraw/zinc/11/22/81/1068112281.db2.gz NPSWAGRCRNMOLM-WMZHIEFXSA-N 1 1 452.578 3.447 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305050512 1068112595 /nfs/dbraw/zinc/11/25/95/1068112595.db2.gz SOGVSLSATIKZRW-VQTJNVASSA-N 1 1 472.609 3.396 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001305050620 1068112944 /nfs/dbraw/zinc/11/29/44/1068112944.db2.gz WMZQXJAMVMZVRJ-SFHVURJKSA-N 1 1 475.037 3.334 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001305051090 1068113762 /nfs/dbraw/zinc/11/37/62/1068113762.db2.gz ZBLAZMVJERZFMY-QGZVFWFLSA-N 1 1 468.543 3.266 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305051116 1068114193 /nfs/dbraw/zinc/11/41/93/1068114193.db2.gz OJZWOZCAWCCWRX-MSOLQXFVSA-N 1 1 458.632 3.028 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(F)(F)F)C1 ZINC001305051573 1068115006 /nfs/dbraw/zinc/11/50/06/1068115006.db2.gz PTQRQUFWQACXOC-OAHLLOKOSA-N 1 1 459.538 3.079 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001305052170 1068116205 /nfs/dbraw/zinc/11/62/05/1068116205.db2.gz ZNPDJEXLUOKMNS-FGZHOGPDSA-N 1 1 456.635 3.482 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001305052171 1068116293 /nfs/dbraw/zinc/11/62/93/1068116293.db2.gz ZNPDJEXLUOKMNS-VXKWHMMOSA-N 1 1 456.635 3.482 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001305057975 1068120269 /nfs/dbraw/zinc/12/02/69/1068120269.db2.gz CNTSHWGDDYLOSB-QUCCMNQESA-N 1 1 478.563 3.052 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001305058258 1068120380 /nfs/dbraw/zinc/12/03/80/1068120380.db2.gz GIZUHHSSEAXYFE-AEFFLSMTSA-N 1 1 467.586 3.314 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCC[C@H]1C ZINC001305058584 1068121149 /nfs/dbraw/zinc/12/11/49/1068121149.db2.gz IRXZHOWWILLPAI-OAGGEKHMSA-N 1 1 472.030 3.480 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cscn1 ZINC001305058830 1068121644 /nfs/dbraw/zinc/12/16/44/1068121644.db2.gz JNLRXZNGFNWKNI-PKOBYXMFSA-N 1 1 491.662 3.164 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001305058872 1068122405 /nfs/dbraw/zinc/12/24/05/1068122405.db2.gz KHZLQTUYSYPXRF-WOJBJXKFSA-N 1 1 469.634 3.194 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001305059291 1068122947 /nfs/dbraw/zinc/12/29/47/1068122947.db2.gz OHXPFTIXKQMDCG-GOSISDBHSA-N 1 1 468.005 3.477 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001305059324 1068123058 /nfs/dbraw/zinc/12/30/58/1068123058.db2.gz LBIOEZXTOMLYFN-GJZGRUSLSA-N 1 1 481.464 3.345 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cnn(C)c1 ZINC001305059991 1068124359 /nfs/dbraw/zinc/12/43/59/1068124359.db2.gz SPIORNGOTWJFSD-IBGZPJMESA-N 1 1 486.665 3.247 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060526 1068125254 /nfs/dbraw/zinc/12/52/54/1068125254.db2.gz QEILZJPLNDVJMR-RTBURBONSA-N 1 1 457.623 3.451 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001305060442 1068125293 /nfs/dbraw/zinc/12/52/93/1068125293.db2.gz BVFGDCJKQZEXRJ-HZPDHXFCSA-N 1 1 452.575 3.235 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001305062437 1068129993 /nfs/dbraw/zinc/12/99/93/1068129993.db2.gz ORALKCKSFAAMAC-JOCHJYFZSA-N 1 1 460.667 3.335 20 0 JGADMO C[C@@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303602386 1068132108 /nfs/dbraw/zinc/13/21/08/1068132108.db2.gz MEYUTQMMXKTLBG-SIKLNZKXSA-N 1 1 450.587 3.014 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303602411 1068132631 /nfs/dbraw/zinc/13/26/31/1068132631.db2.gz NWVSFYGBTPKVRH-WAUFSOIDSA-N 1 1 482.654 3.386 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305063680 1068133296 /nfs/dbraw/zinc/13/32/96/1068133296.db2.gz YMNLIIFDVYZFAO-SIKLNZKXSA-N 1 1 489.686 3.262 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303603737 1068135756 /nfs/dbraw/zinc/13/57/56/1068135756.db2.gz TVSKAOZGCBFHIT-NFVVUBBGSA-N 1 1 496.681 3.310 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303603737 1068135759 /nfs/dbraw/zinc/13/57/59/1068135759.db2.gz TVSKAOZGCBFHIT-NFVVUBBGSA-N 1 1 496.681 3.310 20 0 JGADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1(C)C ZINC001305070086 1068143923 /nfs/dbraw/zinc/14/39/23/1068143923.db2.gz BGPOGLGLJPMYKE-LJQANCHMSA-N 1 1 489.064 3.456 20 0 JGADMO C[C@@H](c1ccccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001303610298 1068144499 /nfs/dbraw/zinc/14/44/99/1068144499.db2.gz DFDYXHTXSROHEW-KRWDZBQOSA-N 1 1 469.590 3.311 20 0 JGADMO C[C@H](c1ccccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001303610301 1068145070 /nfs/dbraw/zinc/14/50/70/1068145070.db2.gz DFDYXHTXSROHEW-QGZVFWFLSA-N 1 1 469.590 3.311 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001305071818 1068145691 /nfs/dbraw/zinc/14/56/91/1068145691.db2.gz ZVMLEJGWIGIREN-VQIMIIECSA-N 1 1 469.055 3.081 20 0 JGADMO C[C@H](c1ccccc1)N(C)c1nnc(-c2cccnc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303611713 1068146193 /nfs/dbraw/zinc/14/61/93/1068146193.db2.gz TVVCWPGSUAZRIM-OFNKIYASSA-N 1 1 461.614 3.480 20 0 JGADMO C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303613255 1068147475 /nfs/dbraw/zinc/14/74/75/1068147475.db2.gz KOLSLBAANPUSRN-STZQEDGTSA-N 1 1 472.609 3.409 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001305073435 1068147510 /nfs/dbraw/zinc/14/75/10/1068147510.db2.gz CZJVMHQATYLXAL-NLWGTHIKSA-N 1 1 480.704 3.269 20 0 JGADMO C[C@H]1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1(C)C ZINC001305080769 1068153644 /nfs/dbraw/zinc/15/36/44/1068153644.db2.gz ZDHPVAHOIWTRAW-FPOVZHCZSA-N 1 1 455.651 3.099 20 0 JGADMO C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001305083680 1068155439 /nfs/dbraw/zinc/15/54/39/1068155439.db2.gz RCVYDSXXPXFSQK-IBGZPJMESA-N 1 1 488.562 3.330 20 0 JGADMO O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305094504 1068161813 /nfs/dbraw/zinc/16/18/13/1068161813.db2.gz IFBZVDQCNPUFFI-FGTMMUONSA-N 1 1 460.372 3.189 20 0 JGADMO C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001305105404 1068173154 /nfs/dbraw/zinc/17/31/54/1068173154.db2.gz FBLAKITYFMCFDA-RXVVDRJESA-N 1 1 475.037 3.299 20 0 JGADMO CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001305109100 1068178997 /nfs/dbraw/zinc/17/89/97/1068178997.db2.gz OKXPSJBFUGNVBY-QHAWAJNXSA-N 1 1 476.666 3.132 20 0 JGADMO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC001305111420 1068182792 /nfs/dbraw/zinc/18/27/92/1068182792.db2.gz CGUNWHUXDTWYFU-ZLNRFVROSA-N 1 1 489.753 3.068 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001303652856 1068183409 /nfs/dbraw/zinc/18/34/09/1068183409.db2.gz KZWLHFVFTKVMAH-LSDHHAIUSA-N 1 1 492.411 3.323 20 0 JGADMO C[C@H](N1CCN(c2nnc(C3CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305111663 1068183997 /nfs/dbraw/zinc/18/39/97/1068183997.db2.gz FFHOOMLZQKPYSA-BBWFWOEESA-N 1 1 458.573 3.116 20 0 JGADMO CC(C)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305112015 1068184921 /nfs/dbraw/zinc/18/49/21/1068184921.db2.gz DKTJEYVMLWJUEH-BGYRXZFFSA-N 1 1 456.635 3.322 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001303654335 1068185618 /nfs/dbraw/zinc/18/56/18/1068185618.db2.gz UBEYJCDUILYSKN-RXVVDRJESA-N 1 1 472.609 3.493 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001305113149 1068189474 /nfs/dbraw/zinc/18/94/74/1068189474.db2.gz MIVGZLQEOFPYDE-ZVDOUQERSA-N 1 1 482.673 3.442 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C[C@H](C)O1 ZINC001305113810 1068190665 /nfs/dbraw/zinc/19/06/65/1068190665.db2.gz QMQSHNJQDCFULD-HBMCJLEFSA-N 1 1 497.688 3.359 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305114356 1068191761 /nfs/dbraw/zinc/19/17/61/1068191761.db2.gz RRAOAXFJZNIPMM-CEXWTWQISA-N 1 1 495.594 3.301 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305114522 1068192589 /nfs/dbraw/zinc/19/25/89/1068192589.db2.gz ZHTZDBVBAJLCTO-NJYVYQBISA-N 1 1 476.710 3.153 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c(N3CC[N@H+](C4CCOCC4)C[C@H]3C)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305114522 1068192592 /nfs/dbraw/zinc/19/25/92/1068192592.db2.gz ZHTZDBVBAJLCTO-NJYVYQBISA-N 1 1 476.710 3.153 20 0 JGADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303662388 1068193271 /nfs/dbraw/zinc/19/32/71/1068193271.db2.gz FLXNAWYRXSPMBI-IBGZPJMESA-N 1 1 465.602 3.009 20 0 JGADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cnccn2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303662388 1068193277 /nfs/dbraw/zinc/19/32/77/1068193277.db2.gz FLXNAWYRXSPMBI-IBGZPJMESA-N 1 1 465.602 3.009 20 0 JGADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303662390 1068193310 /nfs/dbraw/zinc/19/33/10/1068193310.db2.gz FLXNAWYRXSPMBI-LJQANCHMSA-N 1 1 465.602 3.009 20 0 JGADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cnccn2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303662390 1068193316 /nfs/dbraw/zinc/19/33/16/1068193316.db2.gz FLXNAWYRXSPMBI-LJQANCHMSA-N 1 1 465.602 3.009 20 0 JGADMO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303662685 1068193381 /nfs/dbraw/zinc/19/33/81/1068193381.db2.gz HWTNRNBDDLUAQD-HXUWFJFHSA-N 1 1 454.619 3.040 20 0 JGADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303663213 1068194348 /nfs/dbraw/zinc/19/43/48/1068194348.db2.gz LWUZBQQFGMFYJO-CTNGQTDRSA-N 1 1 457.619 3.056 20 0 JGADMO C[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC001303663733 1068195045 /nfs/dbraw/zinc/19/50/45/1068195045.db2.gz FAYGIWJWYWERAQ-IFMALSPDSA-N 1 1 468.646 3.218 20 0 JGADMO C[C@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303664448 1068197304 /nfs/dbraw/zinc/19/73/04/1068197304.db2.gz KTRRALBJVRHZCW-IRLDBZIGSA-N 1 1 482.654 3.264 20 0 JGADMO C[C@@H](CCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303665544 1068198998 /nfs/dbraw/zinc/19/89/98/1068198998.db2.gz VGXMGESZXQHMKY-IBGZPJMESA-N 1 1 488.562 3.330 20 0 JGADMO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)[N@@H+](C)Cc1ccccc1 ZINC001303667507 1068202526 /nfs/dbraw/zinc/20/25/26/1068202526.db2.gz HSCDYRSWBPPSPS-FQEVSTJZSA-N 1 1 477.657 3.434 20 0 JGADMO C[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001303669910 1068204488 /nfs/dbraw/zinc/20/44/88/1068204488.db2.gz WKSWSRXJFXXIBF-PKOBYXMFSA-N 1 1 487.592 3.479 20 0 JGADMO C[C@H](CN(C)c1nnc(-c2ccccn2)n1CC1CCN(CC[NH+](C)C)CC1)c1nccs1 ZINC001303675531 1068214417 /nfs/dbraw/zinc/21/44/17/1068214417.db2.gz XRFKVXSVLDDQJR-LJQANCHMSA-N 1 1 468.675 3.310 20 0 JGADMO C[C@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC001303681434 1068217458 /nfs/dbraw/zinc/21/74/58/1068217458.db2.gz AQNPLFPWODBCJG-ZHRRBRCNSA-N 1 1 477.034 3.274 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N(C)C[C@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001303682478 1068218792 /nfs/dbraw/zinc/21/87/92/1068218792.db2.gz DSHWXTXIJJSXAQ-FPOVZHCZSA-N 1 1 469.659 3.317 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001303682752 1068219390 /nfs/dbraw/zinc/21/93/90/1068219390.db2.gz FYMAEOMJEKYKDC-AQNXPRMDSA-N 1 1 462.664 3.225 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)O)CC[N@H+](C2CCC2)C1 ZINC001305135703 1068224643 /nfs/dbraw/zinc/22/46/43/1068224643.db2.gz UJLQYXNZFLXNEP-CQSZACIVSA-N 1 1 451.413 3.117 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)O)CC[N@H+](C2CCC2)C1 ZINC001305135702 1068224724 /nfs/dbraw/zinc/22/47/24/1068224724.db2.gz UJLQYXNZFLXNEP-AWEZNQCLSA-N 1 1 451.413 3.117 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303688470 1068226948 /nfs/dbraw/zinc/22/69/48/1068226948.db2.gz ZDWMYJDISLTKLH-OAQYLSRUSA-N 1 1 468.646 3.024 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305136793 1068227151 /nfs/dbraw/zinc/22/71/51/1068227151.db2.gz LRBYXNWLTLKIMW-YJBOKZPZSA-N 1 1 487.498 3.333 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001303691825 1068232396 /nfs/dbraw/zinc/23/23/96/1068232396.db2.gz JXXWTJUBCYJNRK-MRXNPFEDSA-N 1 1 451.413 3.147 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)S1 ZINC001305139888 1068233348 /nfs/dbraw/zinc/23/33/48/1068233348.db2.gz XHTLWLBPNLYXDZ-HUUCEWRRSA-N 1 1 483.480 3.477 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)S1 ZINC001305139888 1068233356 /nfs/dbraw/zinc/23/33/56/1068233356.db2.gz XHTLWLBPNLYXDZ-HUUCEWRRSA-N 1 1 483.480 3.477 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCS(C)(=O)=O)C1CC1)[N@@H+](C)C1CC1 ZINC001303693390 1068235825 /nfs/dbraw/zinc/23/58/25/1068235825.db2.gz GHVLBPAYGJQOCY-AWEZNQCLSA-N 1 1 470.014 3.234 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCOCC1)[NH+]1CCOCC1 ZINC001303696673 1068240149 /nfs/dbraw/zinc/24/01/49/1068240149.db2.gz RTIZZKVBSFZCPQ-QGZVFWFLSA-N 1 1 478.435 3.291 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001303698304 1068241414 /nfs/dbraw/zinc/24/14/14/1068241414.db2.gz CWPIITKSBSIEBH-HOTGVXAUSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C)C1 ZINC001305143748 1068242989 /nfs/dbraw/zinc/24/29/89/1068242989.db2.gz LZFZWERLXPSXAR-UXHICEINSA-N 1 1 475.659 3.228 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303700325 1068243264 /nfs/dbraw/zinc/24/32/64/1068243264.db2.gz DIYVCHRLLOWJCH-MSOLQXFVSA-N 1 1 455.607 3.174 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303700069 1068243346 /nfs/dbraw/zinc/24/33/46/1068243346.db2.gz NIIWFYMVYJGOFU-PKOBYXMFSA-N 1 1 453.509 3.214 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCOC1)[NH+]1CCOCC1 ZINC001303701177 1068244501 /nfs/dbraw/zinc/24/45/01/1068244501.db2.gz VSALZKFQZSBAII-MSOLQXFVSA-N 1 1 478.435 3.291 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1)[N@@H+](C)C1CC1 ZINC001303700880 1068244570 /nfs/dbraw/zinc/24/45/70/1068244570.db2.gz UCQILKFUIVYXBO-OAHLLOKOSA-N 1 1 452.024 3.095 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC001303701180 1068244703 /nfs/dbraw/zinc/24/47/03/1068244703.db2.gz VSALZKFQZSBAII-ZWKOTPCHSA-N 1 1 478.435 3.291 20 0 JGADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303702870 1068246866 /nfs/dbraw/zinc/24/68/66/1068246866.db2.gz GHLAOAHWUIRNBM-PKOBYXMFSA-N 1 1 455.607 3.316 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303703397 1068247589 /nfs/dbraw/zinc/24/75/89/1068247589.db2.gz PFCSZZVIYCRDFQ-MOPGFXCFSA-N 1 1 455.651 3.145 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303703399 1068247658 /nfs/dbraw/zinc/24/76/58/1068247658.db2.gz PFCSZZVIYCRDFQ-RBUKOAKNSA-N 1 1 455.651 3.145 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC001303705464 1068250229 /nfs/dbraw/zinc/25/02/29/1068250229.db2.gz MVNQRGFWAAGWJJ-QYZOEREBSA-N 1 1 458.632 3.052 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001305149403 1068253843 /nfs/dbraw/zinc/25/38/43/1068253843.db2.gz UZXOQNPWYYQGCF-FXAWDEMLSA-N 1 1 475.037 3.060 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001305151438 1068257462 /nfs/dbraw/zinc/25/74/62/1068257462.db2.gz WZQIUQMVLJEDNX-NFBKMPQASA-N 1 1 482.673 3.146 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303715169 1068261739 /nfs/dbraw/zinc/26/17/39/1068261739.db2.gz AWBGHHAOTQYUMS-NZQKXSOJSA-N 1 1 468.646 3.175 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001303715715 1068262390 /nfs/dbraw/zinc/26/23/90/1068262390.db2.gz DRJFZPAUJWKPRZ-IYWMVGAKSA-N 1 1 478.037 3.448 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001303715715 1068262407 /nfs/dbraw/zinc/26/24/07/1068262407.db2.gz DRJFZPAUJWKPRZ-IYWMVGAKSA-N 1 1 478.037 3.448 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001303715716 1068262687 /nfs/dbraw/zinc/26/26/87/1068262687.db2.gz DRJFZPAUJWKPRZ-WCIQWLHISA-N 1 1 478.037 3.448 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001303715716 1068262698 /nfs/dbraw/zinc/26/26/98/1068262698.db2.gz DRJFZPAUJWKPRZ-WCIQWLHISA-N 1 1 478.037 3.448 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303716932 1068265167 /nfs/dbraw/zinc/26/51/67/1068265167.db2.gz IDYIYFJTTFSRPP-PLACYPQZSA-N 1 1 475.609 3.324 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303716932 1068265171 /nfs/dbraw/zinc/26/51/71/1068265171.db2.gz IDYIYFJTTFSRPP-PLACYPQZSA-N 1 1 475.609 3.324 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303717288 1068265607 /nfs/dbraw/zinc/26/56/07/1068265607.db2.gz LXSRXDYSFHYOOE-QYZOEREBSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCSC1)[N@@H+](C)C1CC1 ZINC001303723210 1068273283 /nfs/dbraw/zinc/27/32/83/1068273283.db2.gz RRWNWUBYZLYRRY-NEWSRXKRSA-N 1 1 480.679 3.011 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305164625 1068274117 /nfs/dbraw/zinc/27/41/17/1068274117.db2.gz IOIOVPDXCMEUDT-SBHAEUEKSA-N 1 1 484.649 3.205 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305166534 1068277347 /nfs/dbraw/zinc/27/73/47/1068277347.db2.gz WVOGYYWILNZEGY-LJQANCHMSA-N 1 1 484.649 3.445 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001305169934 1068280708 /nfs/dbraw/zinc/28/07/08/1068280708.db2.gz INUCSRNGIOJMJV-PKOBYXMFSA-N 1 1 498.619 3.253 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC001303727628 1068281898 /nfs/dbraw/zinc/28/18/98/1068281898.db2.gz MVIJAVWDZASALC-FQEVSTJZSA-N 1 1 488.702 3.001 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001303728258 1068282906 /nfs/dbraw/zinc/28/29/06/1068282906.db2.gz KXUGUHQCXPJHQG-HNNXBMFYSA-N 1 1 450.509 3.094 20 0 JGADMO C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303729211 1068284794 /nfs/dbraw/zinc/28/47/94/1068284794.db2.gz SBIQIABDJVNCBD-QHAWAJNXSA-N 1 1 482.604 3.416 20 0 JGADMO C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303729211 1068284804 /nfs/dbraw/zinc/28/48/04/1068284804.db2.gz SBIQIABDJVNCBD-QHAWAJNXSA-N 1 1 482.604 3.416 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCO1 ZINC001305172469 1068285209 /nfs/dbraw/zinc/28/52/09/1068285209.db2.gz KTTXFZVATJPVCX-LJQANCHMSA-N 1 1 464.655 3.398 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCCC3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCO1 ZINC001305172468 1068285216 /nfs/dbraw/zinc/28/52/16/1068285216.db2.gz KTTXFZVATJPVCX-IBGZPJMESA-N 1 1 464.655 3.398 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001303731564 1068286969 /nfs/dbraw/zinc/28/69/69/1068286969.db2.gz NSOMMRNPSMQDAC-HXUWFJFHSA-N 1 1 482.604 3.418 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001303731564 1068286982 /nfs/dbraw/zinc/28/69/82/1068286982.db2.gz NSOMMRNPSMQDAC-HXUWFJFHSA-N 1 1 482.604 3.418 20 0 JGADMO C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CC1 ZINC001303732556 1068288273 /nfs/dbraw/zinc/28/82/73/1068288273.db2.gz VDCNLYUHOYUPES-KRWDZBQOSA-N 1 1 473.668 3.453 20 0 JGADMO C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001303734210 1068290597 /nfs/dbraw/zinc/29/05/97/1068290597.db2.gz DSJIGDSMAYPUEE-KCZVDYSFSA-N 1 1 493.622 3.228 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305177573 1068291517 /nfs/dbraw/zinc/29/15/17/1068291517.db2.gz XMCYBYDPUDKUAV-RTBURBONSA-N 1 1 472.600 3.367 20 0 JGADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303739117 1068299410 /nfs/dbraw/zinc/29/94/10/1068299410.db2.gz XNDYILUIBAUHRJ-GOSISDBHSA-N 1 1 487.624 3.109 20 0 JGADMO C[C@H](Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001303739209 1068299453 /nfs/dbraw/zinc/29/94/53/1068299453.db2.gz PAXLIPXXRQXIBK-IRLDBZIGSA-N 1 1 488.702 3.100 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183709 1068301424 /nfs/dbraw/zinc/30/14/24/1068301424.db2.gz RMSIDPITESPJDT-XUVXKRRUSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC001305184920 1068303136 /nfs/dbraw/zinc/30/31/36/1068303136.db2.gz JHDQVSZAPQDWMT-ZVDOUQERSA-N 1 1 492.665 3.075 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305186948 1068305477 /nfs/dbraw/zinc/30/54/77/1068305477.db2.gz SFZWEMBDNIAFKS-RBUKOAKNSA-N 1 1 478.682 3.327 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)C[C@@H](C(F)(F)F)O1 ZINC001305188102 1068308250 /nfs/dbraw/zinc/30/82/50/1068308250.db2.gz XZQUYHLZEAJXAT-LLGFUMIMSA-N 1 1 491.624 3.231 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305190334 1068311753 /nfs/dbraw/zinc/31/17/53/1068311753.db2.gz RCAQXAIZWJSCPY-QFBILLFUSA-N 1 1 469.964 3.309 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001305190342 1068312054 /nfs/dbraw/zinc/31/20/54/1068312054.db2.gz RDLRDPAUJRWBKN-XLIONFOSSA-N 1 1 459.038 3.310 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)CN2CCOCC2)CC1 ZINC001303753977 1068316038 /nfs/dbraw/zinc/31/60/38/1068316038.db2.gz GBZKWMAIDCGKEY-LJQANCHMSA-N 1 1 491.478 3.206 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303755534 1068319154 /nfs/dbraw/zinc/31/91/54/1068319154.db2.gz OLFIQKPABYHKFW-UGKGYDQZSA-N 1 1 489.064 3.455 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC001305195725 1068320760 /nfs/dbraw/zinc/32/07/60/1068320760.db2.gz DLSBQOTWSVFOCN-RDJZCZTQSA-N 1 1 473.565 3.197 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN(C)c1ccccc1)C[NH+]1CCOCC1 ZINC001303758570 1068321880 /nfs/dbraw/zinc/32/18/80/1068321880.db2.gz CUDBSDBCWWOJNS-GMAHTHKFSA-N 1 1 456.635 3.061 20 0 JGADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305202499 1068326612 /nfs/dbraw/zinc/32/66/12/1068326612.db2.gz AFUQQXKDQPKKRL-QUCCMNQESA-N 1 1 467.536 3.399 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1)CN1CCOCC1 ZINC001303760780 1068327051 /nfs/dbraw/zinc/32/70/51/1068327051.db2.gz XMLCKLOJFYYHPV-HSZRJFAPSA-N 1 1 468.690 3.200 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(OC(F)F)c1)C[NH+]1CCOCC1 ZINC001303760935 1068327915 /nfs/dbraw/zinc/32/79/15/1068327915.db2.gz DFKJCTPHVKXGCQ-FXAWDEMLSA-N 1 1 465.545 3.336 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303763165 1068331511 /nfs/dbraw/zinc/33/15/11/1068331511.db2.gz VLBNBKZUYMYEDE-CEXWTWQISA-N 1 1 457.623 3.117 20 0 JGADMO C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)S1 ZINC001305205541 1068331714 /nfs/dbraw/zinc/33/17/14/1068331714.db2.gz DWNIXOJPBJIBFT-SFTDATJTSA-N 1 1 456.704 3.420 20 0 JGADMO C[C@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305205541 1068331726 /nfs/dbraw/zinc/33/17/26/1068331726.db2.gz DWNIXOJPBJIBFT-SFTDATJTSA-N 1 1 456.704 3.420 20 0 JGADMO C[C@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305205541 1068331732 /nfs/dbraw/zinc/33/17/32/1068331732.db2.gz DWNIXOJPBJIBFT-SFTDATJTSA-N 1 1 456.704 3.420 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)CCc1nccs1)C[NH+]1CCOCC1 ZINC001303763431 1068332009 /nfs/dbraw/zinc/33/20/09/1068332009.db2.gz NJZNNRPZCJSVBJ-GOSISDBHSA-N 1 1 458.607 3.112 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001303764591 1068334338 /nfs/dbraw/zinc/33/43/38/1068334338.db2.gz VABPFKFRNVNEGT-DXIQSLLYSA-N 1 1 489.583 3.066 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303766000 1068337461 /nfs/dbraw/zinc/33/74/61/1068337461.db2.gz OUCUQAXMSPTIOQ-VAMGGRTRSA-N 1 1 462.639 3.007 20 0 JGADMO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305210720 1068340460 /nfs/dbraw/zinc/34/04/60/1068340460.db2.gz QGDKZTNAZZPYCU-RBUKOAKNSA-N 1 1 474.675 3.109 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC001305212211 1068342677 /nfs/dbraw/zinc/34/26/77/1068342677.db2.gz IFBIPTJXAAQMEB-FQEVSTJZSA-N 1 1 491.080 3.399 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303769991 1068343396 /nfs/dbraw/zinc/34/33/96/1068343396.db2.gz UTSXURQGHJRRQS-UNMCSNQZSA-N 1 1 490.693 3.473 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303769987 1068343529 /nfs/dbraw/zinc/34/35/29/1068343529.db2.gz UTSXURQGHJRRQS-IRLDBZIGSA-N 1 1 490.693 3.473 20 0 JGADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@H](C(F)(F)F)O1 ZINC001305212912 1068344246 /nfs/dbraw/zinc/34/42/46/1068344246.db2.gz VJKLEVFNRMTWAL-IPMKNSEASA-N 1 1 486.583 3.211 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@@H+](C)C1CCCC1 ZINC001303771954 1068349103 /nfs/dbraw/zinc/34/91/03/1068349103.db2.gz HSFWQHZDCMAYJC-HXUWFJFHSA-N 1 1 473.687 3.492 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCSC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305215128 1068349306 /nfs/dbraw/zinc/34/93/06/1068349306.db2.gz MBHYTVLFFRBHTB-MAUKXSAKSA-N 1 1 489.539 3.406 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@@H+](C)C1CCCC1 ZINC001303771953 1068349344 /nfs/dbraw/zinc/34/93/44/1068349344.db2.gz HSFWQHZDCMAYJC-FQEVSTJZSA-N 1 1 473.687 3.492 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001305215255 1068349724 /nfs/dbraw/zinc/34/97/24/1068349724.db2.gz NCFLEXUBOIDSSN-PMACEKPBSA-N 1 1 458.626 3.362 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CCOc2ccccc2)n1CCN(C)CC(F)(F)F ZINC001305221209 1068359329 /nfs/dbraw/zinc/35/93/29/1068359329.db2.gz GURDWFOWGPCYFW-RTBURBONSA-N 1 1 466.552 3.067 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CCOc2ccccc2)n1CCN(C)CC(F)(F)F ZINC001305221207 1068359424 /nfs/dbraw/zinc/35/94/24/1068359424.db2.gz GURDWFOWGPCYFW-OALUTQOASA-N 1 1 466.552 3.067 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C ZINC001305221531 1068360189 /nfs/dbraw/zinc/36/01/89/1068360189.db2.gz HYGWRGLZCAKQNP-VNTMZGSJSA-N 1 1 481.707 3.083 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C ZINC001305222064 1068361475 /nfs/dbraw/zinc/36/14/75/1068361475.db2.gz JOFXMUISNOINFT-AABGKKOBSA-N 1 1 462.639 3.150 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccncc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305222743 1068363397 /nfs/dbraw/zinc/36/33/97/1068363397.db2.gz MDLNRWKVTPFNLF-UYAOXDASSA-N 1 1 469.634 3.240 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305224095 1068366115 /nfs/dbraw/zinc/36/61/15/1068366115.db2.gz WOFMQOMSMWANQW-FXELSEDVSA-N 1 1 490.693 3.378 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)C(C)(C)C ZINC001305224656 1068367555 /nfs/dbraw/zinc/36/75/55/1068367555.db2.gz RQFPTHARSQPJMB-RBBKRZOGSA-N 1 1 473.687 3.340 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCCCO ZINC001305226361 1068370916 /nfs/dbraw/zinc/37/09/16/1068370916.db2.gz YUKSEWNFOZIOKC-RBBKRZOGSA-N 1 1 471.646 3.227 20 0 JGADMO C[C@H]1COCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305232781 1068378805 /nfs/dbraw/zinc/37/88/05/1068378805.db2.gz SDTKBYCHLYQPOZ-PZJWPPBQSA-N 1 1 492.665 3.076 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001305233811 1068380643 /nfs/dbraw/zinc/38/06/43/1068380643.db2.gz FXTFXGHNCTVYLA-KRWDZBQOSA-N 1 1 473.419 3.435 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001305233811 1068380659 /nfs/dbraw/zinc/38/06/59/1068380659.db2.gz FXTFXGHNCTVYLA-KRWDZBQOSA-N 1 1 473.419 3.435 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC[C@H]2C)C[C@H](C)O1 ZINC001305233954 1068380799 /nfs/dbraw/zinc/38/07/99/1068380799.db2.gz IIRQAGIMIPVGMM-QRVBRYPASA-N 1 1 495.043 3.004 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC[C@H]2C)C[C@H](C)O1 ZINC001305233954 1068380816 /nfs/dbraw/zinc/38/08/16/1068380816.db2.gz IIRQAGIMIPVGMM-QRVBRYPASA-N 1 1 495.043 3.004 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 ZINC001305233804 1068381030 /nfs/dbraw/zinc/38/10/30/1068381030.db2.gz FVNJUDVFMHZJNH-OAHLLOKOSA-N 1 1 479.448 3.465 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 ZINC001305233804 1068381041 /nfs/dbraw/zinc/38/10/41/1068381041.db2.gz FVNJUDVFMHZJNH-OAHLLOKOSA-N 1 1 479.448 3.465 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(Br)c1 ZINC001305234542 1068383041 /nfs/dbraw/zinc/38/30/41/1068383041.db2.gz RVRYQRAETUTIMW-QGZVFWFLSA-N 1 1 471.403 3.460 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(Br)c1 ZINC001305234542 1068383058 /nfs/dbraw/zinc/38/30/58/1068383058.db2.gz RVRYQRAETUTIMW-QGZVFWFLSA-N 1 1 471.403 3.460 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001305234875 1068384039 /nfs/dbraw/zinc/38/40/39/1068384039.db2.gz YNHPPBPYJHWCSL-IBGZPJMESA-N 1 1 456.566 3.049 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001305234875 1068384056 /nfs/dbraw/zinc/38/40/56/1068384056.db2.gz YNHPPBPYJHWCSL-IBGZPJMESA-N 1 1 456.566 3.049 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001303797304 1068387010 /nfs/dbraw/zinc/38/70/10/1068387010.db2.gz LKNLJGZRHXZOOU-IBGZPJMESA-N 1 1 490.693 3.471 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001303797304 1068387027 /nfs/dbraw/zinc/38/70/27/1068387027.db2.gz LKNLJGZRHXZOOU-IBGZPJMESA-N 1 1 490.693 3.471 20 0 JGADMO C[C@H]1CSCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001305241679 1068392085 /nfs/dbraw/zinc/39/20/85/1068392085.db2.gz ZKMHVLPWTXSOIL-QFIPXVFZSA-N 1 1 485.746 3.172 20 0 JGADMO C[C@H]1N(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(CC[NH+](C)C)CC2)CCOC1(C)C ZINC001305241714 1068392300 /nfs/dbraw/zinc/39/23/00/1068392300.db2.gz OCUMAOCKNCWBQA-GOSISDBHSA-N 1 1 476.069 3.271 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303801829 1068398861 /nfs/dbraw/zinc/39/88/61/1068398861.db2.gz YRXYCQJJUHDZMS-PZJWPPBQSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303801829 1068398878 /nfs/dbraw/zinc/39/88/78/1068398878.db2.gz YRXYCQJJUHDZMS-PZJWPPBQSA-N 1 1 490.693 3.471 20 0 JGADMO CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)cc1 ZINC001303802370 1068399119 /nfs/dbraw/zinc/39/91/19/1068399119.db2.gz VLGNDXNAVFINMU-JLTOFOAXSA-N 1 1 451.976 3.362 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+](C)C1CCCC1 ZINC001303803076 1068401234 /nfs/dbraw/zinc/40/12/34/1068401234.db2.gz IJXQEUAVJXIFLM-JKSUJKDBSA-N 1 1 484.617 3.238 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(C)CCC1 ZINC001303805902 1068410264 /nfs/dbraw/zinc/41/02/64/1068410264.db2.gz GHJFRVGNOOGHEC-TZIWHRDSSA-N 1 1 474.675 3.179 20 0 JGADMO C[C@@H]1SCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@H+]2CCCO)[C@H]1C ZINC001305258166 1068423105 /nfs/dbraw/zinc/42/31/05/1068423105.db2.gz SZQXRRLSLNIVPC-XYJFISCASA-N 1 1 451.040 3.171 20 0 JGADMO C[C@@H]1SCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001305258945 1068424964 /nfs/dbraw/zinc/42/49/64/1068424964.db2.gz YCBUVIJIDHIELI-PMACEKPBSA-N 1 1 456.660 3.366 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001305260640 1068427499 /nfs/dbraw/zinc/42/74/99/1068427499.db2.gz BLFBBFKWSGNLLI-QFIPXVFZSA-N 1 1 461.614 3.357 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001303817969 1068431531 /nfs/dbraw/zinc/43/15/31/1068431531.db2.gz VREPVNWJWYTOKH-LPHOPBHVSA-N 1 1 488.649 3.167 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305263402 1068437224 /nfs/dbraw/zinc/43/72/24/1068437224.db2.gz CQCSYDRNKMBLRI-FYYLOGMGSA-N 1 1 467.662 3.271 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001305265306 1068445534 /nfs/dbraw/zinc/44/55/34/1068445534.db2.gz PDTXIZYYIJPDHR-YADHBBJMSA-N 1 1 489.064 3.450 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001305266344 1068449561 /nfs/dbraw/zinc/44/95/61/1068449561.db2.gz ILPWGLNIWNWAMH-OFNKIYASSA-N 1 1 468.646 3.167 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCCCn2cc[nH+]c2C)C1 ZINC001305267711 1068455287 /nfs/dbraw/zinc/45/52/87/1068455287.db2.gz WKQWHCVFFNXIDL-NRFANRHFSA-N 1 1 465.602 3.434 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303830942 1068455333 /nfs/dbraw/zinc/45/53/33/1068455333.db2.gz MQPYVZOJQHDPJQ-JSSYZSAGSA-N 1 1 488.702 3.424 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001305268011 1068455994 /nfs/dbraw/zinc/45/59/94/1068455994.db2.gz QXHAVVQHBUHVDM-FCHUYYIVSA-N 1 1 489.064 3.330 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1=CCCCC1 ZINC001303832175 1068457861 /nfs/dbraw/zinc/45/78/61/1068457861.db2.gz ULFNULYTDSJLPU-RTWAWAEBSA-N 1 1 486.686 3.490 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303832195 1068457966 /nfs/dbraw/zinc/45/79/66/1068457966.db2.gz UZQBONJIYSFLTE-RBUKOAKNSA-N 1 1 466.696 3.027 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CC1(C)C ZINC001303833381 1068461399 /nfs/dbraw/zinc/46/13/99/1068461399.db2.gz HBRZUGOZEWKXCB-DYXWJJEUSA-N 1 1 480.723 3.415 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCCS1 ZINC001303835069 1068464116 /nfs/dbraw/zinc/46/41/16/1068464116.db2.gz VOYCTOWFRHROJY-SVFBPWRDSA-N 1 1 498.763 3.265 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305272951 1068474136 /nfs/dbraw/zinc/47/41/36/1068474136.db2.gz ZBULBGZWXJGRHL-RTBURBONSA-N 1 1 474.600 3.374 20 0 JGADMO CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001305276321 1068477559 /nfs/dbraw/zinc/47/75/59/1068477559.db2.gz DWGFPAKPRHLKPA-NRFANRHFSA-N 1 1 477.613 3.217 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC1=CCCCC1 ZINC001303850323 1068485464 /nfs/dbraw/zinc/48/54/64/1068485464.db2.gz SSRLNVOYOCLZMF-JAXLGGSGSA-N 1 1 478.707 3.480 20 0 JGADMO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001305284797 1068485988 /nfs/dbraw/zinc/48/59/88/1068485988.db2.gz GPVDLYVGEAJVFE-OAQYLSRUSA-N 1 1 459.660 3.329 20 0 JGADMO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305284797 1068485991 /nfs/dbraw/zinc/48/59/91/1068485991.db2.gz GPVDLYVGEAJVFE-OAQYLSRUSA-N 1 1 459.660 3.329 20 0 JGADMO CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001305286876 1068488961 /nfs/dbraw/zinc/48/89/61/1068488961.db2.gz FNKUARIZIGTFBG-XUZZJYLKSA-N 1 1 466.674 3.488 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCCc1ccccc1 ZINC001303851539 1068489717 /nfs/dbraw/zinc/48/97/17/1068489717.db2.gz FKGIIIZLMLLPOQ-FQEVSTJZSA-N 1 1 476.691 3.222 20 0 JGADMO CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305287831 1068490280 /nfs/dbraw/zinc/49/02/80/1068490280.db2.gz LASYWKJAIUWFDR-CLOONOSVSA-N 1 1 485.608 3.164 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303853233 1068493092 /nfs/dbraw/zinc/49/30/92/1068493092.db2.gz OPRRKEGEKLHQHL-RXVVDRJESA-N 1 1 490.674 3.057 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccc(C2CC2)c1 ZINC001303855118 1068494806 /nfs/dbraw/zinc/49/48/06/1068494806.db2.gz WCJWEMZVEBSBNK-GOSISDBHSA-N 1 1 474.675 3.125 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001305292048 1068495354 /nfs/dbraw/zinc/49/53/54/1068495354.db2.gz DKEIVHZARDNWLO-AREMUKBSSA-N 1 1 498.075 3.409 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC1CC(C)(C)C1 ZINC001303855911 1068495850 /nfs/dbraw/zinc/49/58/50/1068495850.db2.gz BNLPFOSJJULMFR-LJQANCHMSA-N 1 1 474.675 3.037 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@]3(CC=CCC3)C2)C1 ZINC001303856619 1068496942 /nfs/dbraw/zinc/49/69/42/1068496942.db2.gz YTPNZQWOAHIJMG-YZUZCNPQSA-N 1 1 478.707 3.335 20 0 JGADMO CC(C)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001303858704 1068499240 /nfs/dbraw/zinc/49/92/40/1068499240.db2.gz VNQRFIVOTBNQOP-FQEVSTJZSA-N 1 1 474.675 3.037 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303874885 1068509128 /nfs/dbraw/zinc/50/91/28/1068509128.db2.gz FKUAMYNCTBFOER-OALUTQOASA-N 1 1 498.763 3.265 20 0 JGADMO C[C@@](O)(C1CCN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1)C(F)(F)F ZINC001303881120 1068519421 /nfs/dbraw/zinc/51/94/21/1068519421.db2.gz VGFJMTNFSZXEDH-AUSIDOKSSA-N 1 1 496.578 3.107 20 0 JGADMO CC[C@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305313058 1068525156 /nfs/dbraw/zinc/52/51/56/1068525156.db2.gz ORZUWPHMDISDMM-RLWLMLJZSA-N 1 1 471.646 3.324 20 0 JGADMO CC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001305315295 1068529360 /nfs/dbraw/zinc/52/93/60/1068529360.db2.gz ZKASWEGJRJKGNS-SANMLTNESA-N 1 1 488.652 3.152 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)CC1 ZINC001303896083 1068534938 /nfs/dbraw/zinc/53/49/38/1068534938.db2.gz WZNBMGCPVCNAHM-GOSISDBHSA-N 1 1 470.597 3.291 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001305321498 1068539688 /nfs/dbraw/zinc/53/96/88/1068539688.db2.gz GOUYAFNNDUFAAM-OUDXUNEISA-N 1 1 466.630 3.447 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303901993 1068545317 /nfs/dbraw/zinc/54/53/17/1068545317.db2.gz WBNLDJKMWQWVGP-QGZVFWFLSA-N 1 1 466.552 3.429 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001303902322 1068545839 /nfs/dbraw/zinc/54/58/39/1068545839.db2.gz WJWWGRGEDMIUFY-FPOVZHCZSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305330599 1068556333 /nfs/dbraw/zinc/55/63/33/1068556333.db2.gz SFJVJIFZJFMUTO-LCIIEAPSSA-N 1 1 495.734 3.068 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305330611 1068556624 /nfs/dbraw/zinc/55/66/24/1068556624.db2.gz XWHBKLPUQINILR-IFOBJOEFSA-N 1 1 471.694 3.076 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001305332020 1068560372 /nfs/dbraw/zinc/56/03/72/1068560372.db2.gz XVRDNLLJHUZKKK-AVRWGWEMSA-N 1 1 474.650 3.360 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303914094 1068563954 /nfs/dbraw/zinc/56/39/54/1068563954.db2.gz FAPSEKPULYYDDW-WPSZSDGUSA-N 1 1 478.037 3.389 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305335667 1068566468 /nfs/dbraw/zinc/56/64/68/1068566468.db2.gz RFYNYWXGAAVNEQ-AOJNWGRGSA-N 1 1 471.646 3.121 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305335860 1068567034 /nfs/dbraw/zinc/56/70/34/1068567034.db2.gz MSNUXIDNNJJZNV-YADARESESA-N 1 1 471.675 3.173 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001303922273 1068573741 /nfs/dbraw/zinc/57/37/41/1068573741.db2.gz HMNRWYRZWZAPCK-CYFREDJKSA-N 1 1 461.582 3.021 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001303922279 1068573771 /nfs/dbraw/zinc/57/37/71/1068573771.db2.gz HMNRWYRZWZAPCK-YADARESESA-N 1 1 461.582 3.021 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001305341560 1068577564 /nfs/dbraw/zinc/57/75/64/1068577564.db2.gz PIGDHOLEJQXRNV-DFIYOIEZSA-N 1 1 457.619 3.337 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303924964 1068580052 /nfs/dbraw/zinc/58/00/52/1068580052.db2.gz XILVYXMTVUMKTF-BTYIYWSLSA-N 1 1 471.499 3.403 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001305343277 1068580373 /nfs/dbraw/zinc/58/03/73/1068580373.db2.gz JMHBVIAJHNPRSN-WNLYKICVSA-N 1 1 498.672 3.004 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303924966 1068580548 /nfs/dbraw/zinc/58/05/48/1068580548.db2.gz XILVYXMTVUMKTF-VFNWGFHPSA-N 1 1 471.499 3.403 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305343926 1068581900 /nfs/dbraw/zinc/58/19/00/1068581900.db2.gz WTAMYCDPYPUXBI-DCLXLUIPSA-N 1 1 459.660 3.197 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305343926 1068581917 /nfs/dbraw/zinc/58/19/17/1068581917.db2.gz WTAMYCDPYPUXBI-DCLXLUIPSA-N 1 1 459.660 3.197 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001305345677 1068584643 /nfs/dbraw/zinc/58/46/43/1068584643.db2.gz CUZSZCCCGJRINH-VCOUNFBDSA-N 1 1 475.659 3.084 20 0 JGADMO CC(C)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303926920 1068585974 /nfs/dbraw/zinc/58/59/74/1068585974.db2.gz QQTQSNQBLZSDBA-NRFANRHFSA-N 1 1 488.652 3.323 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303927312 1068586376 /nfs/dbraw/zinc/58/63/76/1068586376.db2.gz VVKCXLWDWYTEKU-AQNXPRMDSA-N 1 1 472.609 3.379 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCC(=O)N(C)C ZINC001303931612 1068589074 /nfs/dbraw/zinc/58/90/74/1068589074.db2.gz GXZWLHRWBBJCTQ-RBUKOAKNSA-N 1 1 458.582 3.100 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCC(=O)N(C)C ZINC001303931613 1068589193 /nfs/dbraw/zinc/58/91/93/1068589193.db2.gz GXZWLHRWBBJCTQ-RTBURBONSA-N 1 1 458.582 3.100 20 0 JGADMO CC[C@@H](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305351367 1068595935 /nfs/dbraw/zinc/59/59/35/1068595935.db2.gz LXDMVNZEXYLMCU-VGOFRKELSA-N 1 1 454.623 3.007 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001305354776 1068602855 /nfs/dbraw/zinc/60/28/55/1068602855.db2.gz TUZOMBXUMXYWCB-KSEOMHKRSA-N 1 1 454.619 3.003 20 0 JGADMO CC[C@@H](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)OC ZINC001305355006 1068602878 /nfs/dbraw/zinc/60/28/78/1068602878.db2.gz XUCIVUVVQMTNJZ-OFNKIYASSA-N 1 1 485.677 3.105 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305372181 1068626920 /nfs/dbraw/zinc/62/69/20/1068626920.db2.gz UYZXVJHCPCFHAD-VQTJNVASSA-N 1 1 468.712 3.164 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1cccc(N2CCOCC2)c1 ZINC001305376724 1068630589 /nfs/dbraw/zinc/63/05/89/1068630589.db2.gz OAIHNEQBWUCQFH-JOCHJYFZSA-N 1 1 484.689 3.471 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305400101 1068642825 /nfs/dbraw/zinc/64/28/25/1068642825.db2.gz VUUKDMQZOVLOMA-QGZVFWFLSA-N 1 1 488.624 3.499 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305400101 1068642829 /nfs/dbraw/zinc/64/28/29/1068642829.db2.gz VUUKDMQZOVLOMA-QGZVFWFLSA-N 1 1 488.624 3.499 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)Cc2cnn(C)c2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305402133 1068643596 /nfs/dbraw/zinc/64/35/96/1068643596.db2.gz FFDWEKPMJZHIKH-XXBNENTESA-N 1 1 451.619 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1sccc1C ZINC001305410860 1068649287 /nfs/dbraw/zinc/64/92/87/1068649287.db2.gz IOLCOWYIWNWIRI-CUWPLCDZSA-N 1 1 458.676 3.393 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001305410669 1068649422 /nfs/dbraw/zinc/64/94/22/1068649422.db2.gz BEXXUVBUKMEBBV-ZNMIVQPWSA-N 1 1 489.974 3.403 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001305410663 1068649483 /nfs/dbraw/zinc/64/94/83/1068649483.db2.gz BEXXUVBUKMEBBV-KKUMJFAQSA-N 1 1 489.974 3.403 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC1(COC)CCC1 ZINC001305411339 1068650610 /nfs/dbraw/zinc/65/06/10/1068650610.db2.gz KESWARJQFGWCNV-QNWVGRARSA-N 1 1 474.694 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305413046 1068651949 /nfs/dbraw/zinc/65/19/49/1068651949.db2.gz JMJRGYJJOQNTMT-YZUZCNPQSA-N 1 1 454.663 3.449 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001305413125 1068652007 /nfs/dbraw/zinc/65/20/07/1068652007.db2.gz SWZWJWHNKPDWBG-KWOQKUFVSA-N 1 1 482.673 3.476 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1ccc(N(C)C)cc1 ZINC001305413834 1068652621 /nfs/dbraw/zinc/65/26/21/1068652621.db2.gz YWVAZJSELXSQCS-STWLZBDKSA-N 1 1 481.689 3.089 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305414817 1068653281 /nfs/dbraw/zinc/65/32/81/1068653281.db2.gz SAAUDZFXBDNNNL-XSDIEEQYSA-N 1 1 477.698 3.167 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305423941 1068658886 /nfs/dbraw/zinc/65/88/86/1068658886.db2.gz BIYCJBPDZMBTQM-CVEARBPZSA-N 1 1 467.540 3.146 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001305426771 1068664059 /nfs/dbraw/zinc/66/40/59/1068664059.db2.gz QDDDKUXDBRMLLZ-BVSLBCMMSA-N 1 1 455.603 3.082 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305427265 1068665326 /nfs/dbraw/zinc/66/53/26/1068665326.db2.gz UHCSSXKNFZIULO-RTWAWAEBSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1ccc(OC)c(OC)c1OC ZINC001305428113 1068666636 /nfs/dbraw/zinc/66/66/36/1068666636.db2.gz BZEQMABTPUNYGP-AFMDSPMNSA-N 1 1 487.645 3.361 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1ccc(OC)c(OC)c1OC ZINC001305428119 1068666723 /nfs/dbraw/zinc/66/67/23/1068666723.db2.gz BZEQMABTPUNYGP-SIBVEZHUSA-N 1 1 487.645 3.361 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001305429445 1068667759 /nfs/dbraw/zinc/66/77/59/1068667759.db2.gz MGOCDSPFMXTZEX-WIYYLYMNSA-N 1 1 460.589 3.367 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001305429440 1068667921 /nfs/dbraw/zinc/66/79/21/1068667921.db2.gz MGOCDSPFMXTZEX-RXVVDRJESA-N 1 1 460.589 3.367 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@H]1CSCCS1 ZINC001305437753 1068673128 /nfs/dbraw/zinc/67/31/28/1068673128.db2.gz APRUAORYLPFEEX-CTNGQTDRSA-N 1 1 494.775 3.411 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305438459 1068673871 /nfs/dbraw/zinc/67/38/71/1068673871.db2.gz GQSRREHDFMRJOC-JTAQYXEDSA-N 1 1 495.672 3.469 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305441615 1068677044 /nfs/dbraw/zinc/67/70/44/1068677044.db2.gz YFXVFOFMZQVIRU-AVRDEDQJSA-N 1 1 481.645 3.058 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305441618 1068677076 /nfs/dbraw/zinc/67/70/76/1068677076.db2.gz YFXVFOFMZQVIRU-PGRDOPGGSA-N 1 1 481.645 3.058 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305441616 1068677084 /nfs/dbraw/zinc/67/70/84/1068677084.db2.gz YFXVFOFMZQVIRU-GCJKJVERSA-N 1 1 481.645 3.058 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCNC(=O)C(C)C ZINC001305443525 1068678228 /nfs/dbraw/zinc/67/82/28/1068678228.db2.gz KRYUIWYBJOQNLD-NJYVYQBISA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305444457 1068679727 /nfs/dbraw/zinc/67/97/27/1068679727.db2.gz SLBMKRUVPHVUPJ-ACRUOGEOSA-N 1 1 478.682 3.332 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001305448963 1068682768 /nfs/dbraw/zinc/68/27/68/1068682768.db2.gz GZQBSIGMAHZNKE-HXUWFJFHSA-N 1 1 488.702 3.100 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001305448962 1068682939 /nfs/dbraw/zinc/68/29/39/1068682939.db2.gz GZQBSIGMAHZNKE-FQEVSTJZSA-N 1 1 488.702 3.100 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCc1c[nH]nc1C ZINC001305455946 1068694694 /nfs/dbraw/zinc/69/46/94/1068694694.db2.gz CYCKECFIWKNYRD-FQEVSTJZSA-N 1 1 456.683 3.451 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305456532 1068696734 /nfs/dbraw/zinc/69/67/34/1068696734.db2.gz NWTFTQNIWLFFSB-IBGZPJMESA-N 1 1 486.636 3.440 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305456532 1068696739 /nfs/dbraw/zinc/69/67/39/1068696739.db2.gz NWTFTQNIWLFFSB-IBGZPJMESA-N 1 1 486.636 3.440 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001305457109 1068697923 /nfs/dbraw/zinc/69/79/23/1068697923.db2.gz ITPBIKRXQCVWQE-HXUWFJFHSA-N 1 1 482.677 3.325 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305459555 1068701541 /nfs/dbraw/zinc/70/15/41/1068701541.db2.gz ZVYCDFWIHGAGHE-FQEVSTJZSA-N 1 1 468.646 3.301 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001305459555 1068701556 /nfs/dbraw/zinc/70/15/56/1068701556.db2.gz ZVYCDFWIHGAGHE-FQEVSTJZSA-N 1 1 468.646 3.301 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](c1ccco1)N(C)C ZINC001305459840 1068702256 /nfs/dbraw/zinc/70/22/56/1068702256.db2.gz SVQRGJJHPLVGLO-BHDDXSALSA-N 1 1 457.667 3.292 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305463511 1068707142 /nfs/dbraw/zinc/70/71/42/1068707142.db2.gz MZGVPYXRQABKHW-QGZVFWFLSA-N 1 1 478.041 3.394 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305463511 1068707156 /nfs/dbraw/zinc/70/71/56/1068707156.db2.gz MZGVPYXRQABKHW-QGZVFWFLSA-N 1 1 478.041 3.394 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305463891 1068707586 /nfs/dbraw/zinc/70/75/86/1068707586.db2.gz OZVRLNVTNQDXCW-IFMALSPDSA-N 1 1 463.667 3.457 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305463891 1068707594 /nfs/dbraw/zinc/70/75/94/1068707594.db2.gz OZVRLNVTNQDXCW-IFMALSPDSA-N 1 1 463.667 3.457 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001305469235 1068712242 /nfs/dbraw/zinc/71/22/42/1068712242.db2.gz MYVBUWLGORLVCQ-XXBNENTESA-N 1 1 451.681 3.461 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305482491 1068719313 /nfs/dbraw/zinc/71/93/13/1068719313.db2.gz RYGBTVGUQMLUIH-IFMALSPDSA-N 1 1 456.683 3.183 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305492149 1068730322 /nfs/dbraw/zinc/73/03/22/1068730322.db2.gz SKTUTFJUVQOEDP-WOZUAGRISA-N 1 1 482.739 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001305494079 1068731765 /nfs/dbraw/zinc/73/17/65/1068731765.db2.gz YWGHZJIUBPREDZ-LZCXECNNSA-N 1 1 483.661 3.205 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305496193 1068733062 /nfs/dbraw/zinc/73/30/62/1068733062.db2.gz WUJISXAYXQUFGT-RXVVDRJESA-N 1 1 458.655 3.141 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001305506934 1068743994 /nfs/dbraw/zinc/74/39/94/1068743994.db2.gz XETQRLVVOOSNRG-FCHUYYIVSA-N 1 1 498.672 3.402 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001305506934 1068744005 /nfs/dbraw/zinc/74/40/05/1068744005.db2.gz XETQRLVVOOSNRG-FCHUYYIVSA-N 1 1 498.672 3.402 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305508435 1068746260 /nfs/dbraw/zinc/74/62/60/1068746260.db2.gz DFNPFYSOSKXYTC-VWNXMTODSA-N 1 1 482.673 3.419 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC(=O)NCC(F)F ZINC001305508554 1068747094 /nfs/dbraw/zinc/74/70/94/1068747094.db2.gz IGYPOXZGYGJZPZ-INIZCTEOSA-N 1 1 452.525 3.024 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCOCc1ccccc1 ZINC001305508882 1068747595 /nfs/dbraw/zinc/74/75/95/1068747595.db2.gz JXFKLCKKVUORGH-NRFANRHFSA-N 1 1 451.619 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001305509470 1068748552 /nfs/dbraw/zinc/74/85/52/1068748552.db2.gz LXSSGLBGNRYOMI-PMACEKPBSA-N 1 1 488.681 3.398 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305510048 1068749721 /nfs/dbraw/zinc/74/97/21/1068749721.db2.gz IYVVVSLHDYSVRS-NZQKXSOJSA-N 1 1 486.636 3.250 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001305510824 1068750760 /nfs/dbraw/zinc/75/07/60/1068750760.db2.gz RLFADWBQHXOPBY-OAQYLSRUSA-N 1 1 470.666 3.030 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC(=O)NCC(F)(F)F ZINC001305511177 1068751446 /nfs/dbraw/zinc/75/14/46/1068751446.db2.gz RQECTXQDPOGUHO-QGZVFWFLSA-N 1 1 452.525 3.182 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305512491 1068754786 /nfs/dbraw/zinc/75/47/86/1068754786.db2.gz XVOUTTIGSLHOBV-DHIUTWEWSA-N 1 1 473.710 3.191 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001305513188 1068757351 /nfs/dbraw/zinc/75/73/51/1068757351.db2.gz IZYCOWJLFFOFBI-RXVVDRJESA-N 1 1 489.064 3.439 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)Oc1cccc(C)c1 ZINC001305513914 1068758912 /nfs/dbraw/zinc/75/89/12/1068758912.db2.gz MLQXRVBKYVZYRZ-QNWVGRARSA-N 1 1 468.646 3.310 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1c(F)cccc1SC ZINC001305514184 1068759497 /nfs/dbraw/zinc/75/94/97/1068759497.db2.gz NSQGFOSUGPWKDI-XLIONFOSSA-N 1 1 474.650 3.444 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001305520109 1068771443 /nfs/dbraw/zinc/77/14/43/1068771443.db2.gz GLEWSQWIOCZSHF-MSOLQXFVSA-N 1 1 460.648 3.018 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305520813 1068773597 /nfs/dbraw/zinc/77/35/97/1068773597.db2.gz GDHXBUHGMTXKPL-HXUWFJFHSA-N 1 1 485.652 3.058 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305523643 1068776647 /nfs/dbraw/zinc/77/66/47/1068776647.db2.gz AMOWEPPUQVBTSC-NJYVYQBISA-N 1 1 456.635 3.323 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305527833 1068781685 /nfs/dbraw/zinc/78/16/85/1068781685.db2.gz QGILXAJGWGJZRH-HXUWFJFHSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305527833 1068781691 /nfs/dbraw/zinc/78/16/91/1068781691.db2.gz QGILXAJGWGJZRH-HXUWFJFHSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305527833 1068781697 /nfs/dbraw/zinc/78/16/97/1068781697.db2.gz QGILXAJGWGJZRH-HXUWFJFHSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001305532995 1068791638 /nfs/dbraw/zinc/79/16/38/1068791638.db2.gz FAQOCEOSUPXJKL-JBRSBNLGSA-N 1 1 495.716 3.303 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001305533401 1068792537 /nfs/dbraw/zinc/79/25/37/1068792537.db2.gz GMVQXRNGPLEMLH-ZRBLBEILSA-N 1 1 487.737 3.293 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001305534335 1068794173 /nfs/dbraw/zinc/79/41/73/1068794173.db2.gz JUHXBTPFEZFAMJ-MSOLQXFVSA-N 1 1 455.607 3.020 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001305534337 1068794272 /nfs/dbraw/zinc/79/42/72/1068794272.db2.gz JUHXBTPFEZFAMJ-ROUUACIJSA-N 1 1 455.607 3.020 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCCc1c[nH]nc1C ZINC001305535727 1068796575 /nfs/dbraw/zinc/79/65/75/1068796575.db2.gz BCBIGYIGSFZRJV-KRWDZBQOSA-N 1 1 453.639 3.128 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001305536866 1068799608 /nfs/dbraw/zinc/79/96/08/1068799608.db2.gz QSOHXSGDRPHTEQ-JOCHJYFZSA-N 1 1 473.710 3.191 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3cnc(C)s3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305538598 1068804725 /nfs/dbraw/zinc/80/47/25/1068804725.db2.gz AEXVVISTYLCMHQ-SIKLNZKXSA-N 1 1 475.707 3.236 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001305539063 1068806326 /nfs/dbraw/zinc/80/63/26/1068806326.db2.gz OMLOKXDOTIDPQK-IFMALSPDSA-N 1 1 476.616 3.470 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305540251 1068809649 /nfs/dbraw/zinc/80/96/49/1068809649.db2.gz TZNJBDCXPWOVFC-RTWAWAEBSA-N 1 1 486.636 3.280 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305540804 1068810082 /nfs/dbraw/zinc/81/00/82/1068810082.db2.gz LMXAPVCBSNWGLM-CQOQZXRMSA-N 1 1 454.663 3.349 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305540804 1068810090 /nfs/dbraw/zinc/81/00/90/1068810090.db2.gz LMXAPVCBSNWGLM-CQOQZXRMSA-N 1 1 454.663 3.349 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305540936 1068811270 /nfs/dbraw/zinc/81/12/70/1068811270.db2.gz XVDLVNQUEAUHPL-ZWKOTPCHSA-N 1 1 478.579 3.171 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001305542084 1068813784 /nfs/dbraw/zinc/81/37/84/1068813784.db2.gz MJQIDDQSGQDWPF-RXVVDRJESA-N 1 1 454.619 3.348 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1ccc(-n2ccnc2C)nc1 ZINC001305542838 1068816309 /nfs/dbraw/zinc/81/63/09/1068816309.db2.gz FXJVMUCGBWPMTN-HXUWFJFHSA-N 1 1 466.634 3.276 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccc(C(OC)OC)c1 ZINC001305543253 1068816927 /nfs/dbraw/zinc/81/69/27/1068816927.db2.gz TYNISLJPFFUGMC-DENIHFKCSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1OC ZINC001305544270 1068820017 /nfs/dbraw/zinc/82/00/17/1068820017.db2.gz GQOPVAILJFLSKK-QNWVGRARSA-N 1 1 457.619 3.044 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1nc(C)c(C)s1 ZINC001305544325 1068820116 /nfs/dbraw/zinc/82/01/16/1068820116.db2.gz OSSPCRJUFWNYLZ-DENIHFKCSA-N 1 1 489.734 3.339 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC(C)(C)c1ccccn1 ZINC001305545333 1068822894 /nfs/dbraw/zinc/82/28/94/1068822894.db2.gz VRSQXIUURZEKPI-PKTZIBPZSA-N 1 1 483.705 3.396 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1c(C)coc1C ZINC001305545765 1068824244 /nfs/dbraw/zinc/82/42/44/1068824244.db2.gz YOQRGHRXWCYIRL-SIKLNZKXSA-N 1 1 458.651 3.281 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCC(=O)N1CCCCC1 ZINC001305546424 1068825716 /nfs/dbraw/zinc/82/57/16/1068825716.db2.gz UCZZLOCKVOYQSE-QFIPXVFZSA-N 1 1 468.646 3.395 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001305551056 1068829595 /nfs/dbraw/zinc/82/95/95/1068829595.db2.gz KQIGTXOURQUHNS-WMZOPIPTSA-N 1 1 453.509 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001305551056 1068829611 /nfs/dbraw/zinc/82/96/11/1068829611.db2.gz KQIGTXOURQUHNS-WMZOPIPTSA-N 1 1 453.509 3.454 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305551731 1068830195 /nfs/dbraw/zinc/83/01/95/1068830195.db2.gz ACKIYIDCCHPKKP-ZJSXRUAMSA-N 1 1 470.662 3.406 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305551989 1068830875 /nfs/dbraw/zinc/83/08/75/1068830875.db2.gz IBBFEEPIMFONLQ-JTHBVZDNSA-N 1 1 455.651 3.260 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](CC)C1CC1 ZINC001305557854 1068835127 /nfs/dbraw/zinc/83/51/27/1068835127.db2.gz FDORBUFTRRFEQQ-MJGOQNOKSA-N 1 1 450.628 3.006 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@H](COC(C)C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001305563690 1068839984 /nfs/dbraw/zinc/83/99/84/1068839984.db2.gz ROPMMRSJRWWCMB-QPPBQGQZSA-N 1 1 471.646 3.302 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305569977 1068844421 /nfs/dbraw/zinc/84/44/21/1068844421.db2.gz OQJIFUBRTPSWNP-SLFFLAALSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@H](C)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305574220 1068847135 /nfs/dbraw/zinc/84/71/35/1068847135.db2.gz QTTHDHRXFDSODH-RYQLBKOJSA-N 1 1 464.565 3.255 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305587021 1068856370 /nfs/dbraw/zinc/85/63/70/1068856370.db2.gz VHUHTDMRILUWJP-ROUUACIJSA-N 1 1 453.591 3.045 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC001305602092 1068864668 /nfs/dbraw/zinc/86/46/68/1068864668.db2.gz AARAOPOEHSXLTO-FQEVSTJZSA-N 1 1 492.628 3.407 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001305603734 1068868562 /nfs/dbraw/zinc/86/85/62/1068868562.db2.gz BLSXFEHHAJVFCA-FNHZYXHNSA-N 1 1 463.966 3.452 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001305604167 1068869108 /nfs/dbraw/zinc/86/91/08/1068869108.db2.gz DSPZNJZOIIPPRL-NIYFSFCBSA-N 1 1 487.645 3.467 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001305604579 1068870149 /nfs/dbraw/zinc/87/01/49/1068870149.db2.gz NZYLGCQTHCYZID-RTBURBONSA-N 1 1 491.631 3.308 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001305604856 1068870513 /nfs/dbraw/zinc/87/05/13/1068870513.db2.gz CDPSFDYQRRPIBQ-HAGHYFMRSA-N 1 1 472.609 3.250 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001305604868 1068870764 /nfs/dbraw/zinc/87/07/64/1068870764.db2.gz CDPSFDYQRRPIBQ-WCIQWLHISA-N 1 1 472.609 3.250 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001305606950 1068874373 /nfs/dbraw/zinc/87/43/73/1068874373.db2.gz OFXFPIKOIZWJEG-FPOVZHCZSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001305606836 1068874488 /nfs/dbraw/zinc/87/44/88/1068874488.db2.gz IMUGIGQOIKEYJF-MOPGFXCFSA-N 1 1 470.643 3.155 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001305606816 1068874738 /nfs/dbraw/zinc/87/47/38/1068874738.db2.gz WCCKXTGWDNRPDC-MOPGFXCFSA-N 1 1 476.069 3.122 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001305606816 1068874743 /nfs/dbraw/zinc/87/47/43/1068874743.db2.gz WCCKXTGWDNRPDC-MOPGFXCFSA-N 1 1 476.069 3.122 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001305607379 1068875839 /nfs/dbraw/zinc/87/58/39/1068875839.db2.gz KWCCBOXWYGWZDI-ZHRRBRCNSA-N 1 1 475.435 3.154 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)C(=O)NC ZINC001305607471 1068875936 /nfs/dbraw/zinc/87/59/36/1068875936.db2.gz PUHDGGAFIHWVOV-JKSUJKDBSA-N 1 1 465.440 3.256 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001305607425 1068876031 /nfs/dbraw/zinc/87/60/31/1068876031.db2.gz LVCOLTPMSRZGEA-UIFIKXQLSA-N 1 1 474.675 3.018 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001305607377 1068876033 /nfs/dbraw/zinc/87/60/33/1068876033.db2.gz KWCCBOXWYGWZDI-KSFYIVLOSA-N 1 1 475.435 3.154 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305608282 1068878949 /nfs/dbraw/zinc/87/89/49/1068878949.db2.gz OBHVRYNCLQBIQZ-RDJZCZTQSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305608281 1068878963 /nfs/dbraw/zinc/87/89/63/1068878963.db2.gz OBHVRYNCLQBIQZ-NVXWUHKLSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001305608306 1068878995 /nfs/dbraw/zinc/87/89/95/1068878995.db2.gz OHWICKLTCZZYGK-IIBYNOLFSA-N 1 1 465.440 3.393 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001305608751 1068879512 /nfs/dbraw/zinc/87/95/12/1068879512.db2.gz QOQRTCASSFKCGG-MRUHUIDDSA-N 1 1 481.439 3.150 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001305608916 1068880129 /nfs/dbraw/zinc/88/01/29/1068880129.db2.gz VHEVGSBGWXBMCP-LMMKCTJWSA-N 1 1 489.462 3.400 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001305608921 1068880504 /nfs/dbraw/zinc/88/05/04/1068880504.db2.gz VHEVGSBGWXBMCP-SCTDSRPQSA-N 1 1 489.462 3.400 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC001305609278 1068880806 /nfs/dbraw/zinc/88/08/06/1068880806.db2.gz SGZMWLSEBGPFPY-MOPGFXCFSA-N 1 1 482.633 3.259 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305609480 1068881919 /nfs/dbraw/zinc/88/19/19/1068881919.db2.gz UQUGCAMEXSLCJH-DOTOQJQBSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 ZINC001305610090 1068883852 /nfs/dbraw/zinc/88/38/52/1068883852.db2.gz VUBXXRLOZPTGQZ-ZWKOTPCHSA-N 1 1 462.570 3.176 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 ZINC001305610076 1068884041 /nfs/dbraw/zinc/88/40/41/1068884041.db2.gz VUBXXRLOZPTGQZ-QZTJIDSGSA-N 1 1 462.570 3.176 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001305610422 1068884786 /nfs/dbraw/zinc/88/47/86/1068884786.db2.gz WCIXRWJTGRPWAA-TYPHKJRUSA-N 1 1 456.635 3.432 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305611301 1068885498 /nfs/dbraw/zinc/88/54/98/1068885498.db2.gz YYJVFIZLCYIUQT-CRAIPNDOSA-N 1 1 463.424 3.153 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001305612192 1068887520 /nfs/dbraw/zinc/88/75/20/1068887520.db2.gz PAVAEVPADRLTKO-FQEVSTJZSA-N 1 1 451.619 3.334 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001305612030 1068887565 /nfs/dbraw/zinc/88/75/65/1068887565.db2.gz BTUIEBCOGAVBKE-GBESFXJTSA-N 1 1 467.618 3.019 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001305612024 1068887862 /nfs/dbraw/zinc/88/78/62/1068887862.db2.gz BNHXYZPMKLJUKF-SFHVURJKSA-N 1 1 467.618 3.031 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001305613044 1068888456 /nfs/dbraw/zinc/88/84/56/1068888456.db2.gz UJHHZXFMCGKODT-GHTZIAJQSA-N 1 1 451.623 3.195 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001305612880 1068888567 /nfs/dbraw/zinc/88/85/67/1068888567.db2.gz SHSXPKOQKCFBMV-IBGZPJMESA-N 1 1 466.586 3.239 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC001305613834 1068890059 /nfs/dbraw/zinc/89/00/59/1068890059.db2.gz KKLXCNGZEKEPIC-FPOVZHCZSA-N 1 1 466.634 3.133 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCOC1 ZINC001305614069 1068890424 /nfs/dbraw/zinc/89/04/24/1068890424.db2.gz JBCUUXDIUUXJIX-NHCUHLMSSA-N 1 1 470.666 3.045 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001305614978 1068891908 /nfs/dbraw/zinc/89/19/08/1068891908.db2.gz NZHFFTGYOAFVLK-UNMCSNQZSA-N 1 1 468.646 3.301 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001305616123 1068894961 /nfs/dbraw/zinc/89/49/61/1068894961.db2.gz ZEZUKQPYBZHPPM-HZPDHXFCSA-N 1 1 459.620 3.433 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001305616228 1068895960 /nfs/dbraw/zinc/89/59/60/1068895960.db2.gz UNWDKBAREBUKIQ-PKOBYXMFSA-N 1 1 462.668 3.127 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001305616891 1068896538 /nfs/dbraw/zinc/89/65/38/1068896538.db2.gz JDNXAVOTVVOFJB-MRXNPFEDSA-N 1 1 462.668 3.304 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305616999 1068897363 /nfs/dbraw/zinc/89/73/63/1068897363.db2.gz FTOWUBXZBMOWRQ-RBUKOAKNSA-N 1 1 492.594 3.320 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001305617175 1068898273 /nfs/dbraw/zinc/89/82/73/1068898273.db2.gz YLPYELPFQJNHEA-IPMKNSEASA-N 1 1 450.628 3.353 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001305617723 1068899024 /nfs/dbraw/zinc/89/90/24/1068899024.db2.gz CEGZRNZAXYOMKC-PZJWPPBQSA-N 1 1 484.624 3.452 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001305617785 1068899719 /nfs/dbraw/zinc/89/97/19/1068899719.db2.gz ANZHQQXYSQLCKT-RTWAWAEBSA-N 1 1 458.676 3.130 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305617977 1068900660 /nfs/dbraw/zinc/90/06/60/1068900660.db2.gz BIEWIGPUSNCRNG-IRLDBZIGSA-N 1 1 473.687 3.492 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305619299 1068901783 /nfs/dbraw/zinc/90/17/83/1068901783.db2.gz IKJYMUFELCJRHN-NRFANRHFSA-N 1 1 470.662 3.325 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001305618760 1068901894 /nfs/dbraw/zinc/90/18/94/1068901894.db2.gz GJVUPXVEDALKDS-YADHBBJMSA-N 1 1 471.646 3.404 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001305618794 1068901949 /nfs/dbraw/zinc/90/19/49/1068901949.db2.gz DUPTTXLMPIFVRS-AABGKKOBSA-N 1 1 492.665 3.470 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001305619654 1068903576 /nfs/dbraw/zinc/90/35/76/1068903576.db2.gz GYKNTDJSYLKQEX-MBSDFSHPSA-N 1 1 464.010 3.237 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001305619546 1068903609 /nfs/dbraw/zinc/90/36/09/1068903609.db2.gz JWTRAQYZRTUFMJ-AZUAARDMSA-N 1 1 474.675 3.253 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305620139 1068904833 /nfs/dbraw/zinc/90/48/33/1068904833.db2.gz QDNAGVHTIULWSK-INIZCTEOSA-N 1 1 466.615 3.341 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 ZINC001305620341 1068905546 /nfs/dbraw/zinc/90/55/46/1068905546.db2.gz JGXXUWPVEFRPLZ-ICSRJNTNSA-N 1 1 491.681 3.172 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001305620510 1068905617 /nfs/dbraw/zinc/90/56/17/1068905617.db2.gz WOOUMDIMRSZPKI-XJUOHMSHSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001305620511 1068905640 /nfs/dbraw/zinc/90/56/40/1068905640.db2.gz LONOPXSVBKPUCH-VQTJNVASSA-N 1 1 473.691 3.076 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001305620516 1068905710 /nfs/dbraw/zinc/90/57/10/1068905710.db2.gz LQILFOPQKWHQCG-LJQANCHMSA-N 1 1 456.610 3.453 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001305620659 1068906039 /nfs/dbraw/zinc/90/60/39/1068906039.db2.gz SAVBLJHWOAHOEA-JOCHJYFZSA-N 1 1 497.688 3.336 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001305621034 1068907052 /nfs/dbraw/zinc/90/70/52/1068907052.db2.gz YAJCTNDZOMQENJ-GHTZIAJQSA-N 1 1 459.038 3.454 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001305621843 1068908954 /nfs/dbraw/zinc/90/89/54/1068908954.db2.gz XILKWCKHAZRYQN-FQEVSTJZSA-N 1 1 479.604 3.096 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1COc2ccccc2O1 ZINC001305622236 1068910586 /nfs/dbraw/zinc/91/05/86/1068910586.db2.gz QTULMNHQVRFERU-PZJWPPBQSA-N 1 1 467.618 3.146 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001305622819 1068911814 /nfs/dbraw/zinc/91/18/14/1068911814.db2.gz UBGWBRSXWYVUEV-WOIUINJBSA-N 1 1 472.609 3.236 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001305622861 1068911953 /nfs/dbraw/zinc/91/19/53/1068911953.db2.gz ULVUTROSFNDROJ-SQJMNOBHSA-N 1 1 457.619 3.200 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(OC)c(OC)cc2C1 ZINC001305622933 1068912262 /nfs/dbraw/zinc/91/22/62/1068912262.db2.gz UTIFRFXHEUWLEA-LJQANCHMSA-N 1 1 481.645 3.450 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001305622909 1068912314 /nfs/dbraw/zinc/91/23/14/1068912314.db2.gz RHMYSIQUMHQHKF-NRFANRHFSA-N 1 1 468.646 3.311 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)NC)CC1 ZINC001305623440 1068914259 /nfs/dbraw/zinc/91/42/59/1068914259.db2.gz YCOKAKFYNLVRJP-OAQYLSRUSA-N 1 1 485.677 3.481 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001305623481 1068914480 /nfs/dbraw/zinc/91/44/80/1068914480.db2.gz YIBMGCNTDOZMKR-WIYYLYMNSA-N 1 1 475.037 3.362 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)c2ccccc2C1 ZINC001305623652 1068915066 /nfs/dbraw/zinc/91/50/66/1068915066.db2.gz ZICCCSKYJLQZJS-HXUWFJFHSA-N 1 1 450.635 3.326 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCN(C(=O)OC)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001305623768 1068915757 /nfs/dbraw/zinc/91/57/57/1068915757.db2.gz WFORPYKTFACWBP-HXUWFJFHSA-N 1 1 454.619 3.367 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001305626629 1068923909 /nfs/dbraw/zinc/92/39/09/1068923909.db2.gz BXIRCWRFGODOHD-FHWLQOOXSA-N 1 1 472.634 3.186 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001305629253 1068931399 /nfs/dbraw/zinc/93/13/99/1068931399.db2.gz MOXKAMWHXFAOBV-AEFFLSMTSA-N 1 1 492.466 3.025 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305630449 1068934976 /nfs/dbraw/zinc/93/49/76/1068934976.db2.gz FGFDEIYXMIZJEP-HXUWFJFHSA-N 1 1 456.635 3.105 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305630449 1068934987 /nfs/dbraw/zinc/93/49/87/1068934987.db2.gz FGFDEIYXMIZJEP-HXUWFJFHSA-N 1 1 456.635 3.105 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001305635354 1068945267 /nfs/dbraw/zinc/94/52/67/1068945267.db2.gz QIGFWYXUGWILOP-UNMCSNQZSA-N 1 1 461.614 3.356 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001305636179 1068946197 /nfs/dbraw/zinc/94/61/97/1068946197.db2.gz UQSANMMWDSATGP-IBGZPJMESA-N 1 1 467.593 3.050 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305635832 1068946242 /nfs/dbraw/zinc/94/62/42/1068946242.db2.gz TYQDGVSHCHYXOA-IRLDBZIGSA-N 1 1 476.629 3.141 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001305639942 1068954909 /nfs/dbraw/zinc/95/49/09/1068954909.db2.gz CDERLLCSHVSKCN-SFTDATJTSA-N 1 1 456.635 3.309 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305645895 1068973729 /nfs/dbraw/zinc/97/37/29/1068973729.db2.gz VOBLPZJQKZEVCV-TUNNFDKTSA-N 1 1 468.646 3.050 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001305652711 1068991418 /nfs/dbraw/zinc/99/14/18/1068991418.db2.gz DZRSDRCNMQAVAI-ILBGXUMGSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652711 1068991434 /nfs/dbraw/zinc/99/14/34/1068991434.db2.gz DZRSDRCNMQAVAI-ILBGXUMGSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652711 1068991452 /nfs/dbraw/zinc/99/14/52/1068991452.db2.gz DZRSDRCNMQAVAI-ILBGXUMGSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001305655215 1068993813 /nfs/dbraw/zinc/99/38/13/1068993813.db2.gz RMBUPOKDUCQJAW-ARMFNRFLSA-N 1 1 496.700 3.481 20 0 JGADMO CC[C@@H](c1nnc(N(C)CCc2cnccn2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305656754 1068995011 /nfs/dbraw/zinc/99/50/11/1068995011.db2.gz FUKASMUVZVMLFV-HSZRJFAPSA-N 1 1 463.630 3.400 20 0 JGADMO CC[C@@H](c1nnc(N(C)CCc2cnccn2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305656754 1068995020 /nfs/dbraw/zinc/99/50/20/1068995020.db2.gz FUKASMUVZVMLFV-HSZRJFAPSA-N 1 1 463.630 3.400 20 0 JGADMO CC[C@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001305658199 1068996868 /nfs/dbraw/zinc/99/68/68/1068996868.db2.gz WKVWSSYEAQZAQK-DEOSSOPVSA-N 1 1 482.673 3.380 20 0 JGADMO CC[C@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001305658545 1068998114 /nfs/dbraw/zinc/99/81/14/1068998114.db2.gz YXFBMSGZPBWGTF-NRFANRHFSA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)COC)c1ccccc1 ZINC001305658543 1068998334 /nfs/dbraw/zinc/99/83/34/1068998334.db2.gz FAPRYHIDDULWGB-GPUOULLFSA-N 1 1 496.700 3.481 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001305660468 1069000810 /nfs/dbraw/zinc/00/08/10/1069000810.db2.gz MWCUJLYMDDYFKM-YMPZKCBVSA-N 1 1 482.673 3.139 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@@H](C(=O)OC)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001305662533 1069002817 /nfs/dbraw/zinc/00/28/17/1069002817.db2.gz UYGYSKZFUBLJRD-IRMYBRCSSA-N 1 1 469.630 3.319 20 0 JGADMO CC[C@H](c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001305664284 1069006556 /nfs/dbraw/zinc/00/65/56/1069006556.db2.gz CUISOXUYBIRJFV-VWLOTQADSA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001305670566 1069016757 /nfs/dbraw/zinc/01/67/57/1069016757.db2.gz LEKLTWUZJBWJGI-BVAGGSTKSA-N 1 1 495.716 3.152 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC[S@](=O)CC)c1ccccc1 ZINC001305671688 1069018738 /nfs/dbraw/zinc/01/87/38/1069018738.db2.gz QQYWXJBHHUMINR-GRMGDBHTSA-N 1 1 483.686 3.034 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC[S@](=O)CC)c1ccccc1 ZINC001305671688 1069018752 /nfs/dbraw/zinc/01/87/52/1069018752.db2.gz QQYWXJBHHUMINR-GRMGDBHTSA-N 1 1 483.686 3.034 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[C@@H](OC)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001305676574 1069030207 /nfs/dbraw/zinc/03/02/07/1069030207.db2.gz SSBQUNMAERYLAB-GMKZXUHWSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305676493 1069030619 /nfs/dbraw/zinc/03/06/19/1069030619.db2.gz SWRNULKDTYQISR-XUZZJYLKSA-N 1 1 482.673 3.424 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1cnn(C)c1)c1ccccc1 ZINC001305677226 1069032505 /nfs/dbraw/zinc/03/25/05/1069032505.db2.gz MHHWJGBVDSFLED-XZOQPEGZSA-N 1 1 451.619 3.149 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001305679629 1069038240 /nfs/dbraw/zinc/03/82/40/1069038240.db2.gz YQPYASRPIBAMNT-UPVQGACJSA-N 1 1 484.689 3.088 20 0 JGADMO CC[C@H](c1nnc(Nc2ccn(C)n2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681858 1069040597 /nfs/dbraw/zinc/04/05/97/1069040597.db2.gz DRGWDSCZUNUARZ-SFTDATJTSA-N 1 1 464.618 3.240 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001305687601 1069049472 /nfs/dbraw/zinc/04/94/72/1069049472.db2.gz PYGTVLLGSFUMPW-QFIPXVFZSA-N 1 1 463.026 3.500 20 0 JGADMO CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)SC ZINC001305693794 1069064576 /nfs/dbraw/zinc/06/45/76/1069064576.db2.gz AAWLCJMLMIRZPR-HXUWFJFHSA-N 1 1 461.680 3.150 20 0 JGADMO CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001305701636 1069083354 /nfs/dbraw/zinc/08/33/54/1069083354.db2.gz HWFLRFXSLLPKTC-FCHUYYIVSA-N 1 1 460.667 3.130 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnc(C)s1)[NH+]1CCOCC1 ZINC001305704427 1069090585 /nfs/dbraw/zinc/09/05/85/1069090585.db2.gz FTTZXWXVYBXQNO-OAQYLSRUSA-N 1 1 489.690 3.052 20 0 JGADMO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001305704567 1069091458 /nfs/dbraw/zinc/09/14/58/1069091458.db2.gz FHLDQDPNZYFBSF-ZJSXRUAMSA-N 1 1 471.694 3.199 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)N1CCOCC1 ZINC001305705121 1069092874 /nfs/dbraw/zinc/09/28/74/1069092874.db2.gz JDCZDFABYIHQPN-XUZZJYLKSA-N 1 1 476.710 3.228 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)N1CCOCC1 ZINC001305705121 1069092894 /nfs/dbraw/zinc/09/28/94/1069092894.db2.gz JDCZDFABYIHQPN-XUZZJYLKSA-N 1 1 476.710 3.228 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1scnc1C)[NH+]1CCOCC1 ZINC001305705521 1069093919 /nfs/dbraw/zinc/09/39/19/1069093919.db2.gz KIBBKDBDCNJPQO-HXUWFJFHSA-N 1 1 489.690 3.052 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001305722199 1069133095 /nfs/dbraw/zinc/13/30/95/1069133095.db2.gz HWHWZXXKBJEYAM-IBGZPJMESA-N 1 1 465.602 3.301 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001305724100 1069138087 /nfs/dbraw/zinc/13/80/87/1069138087.db2.gz HXAHNIQQEHWENH-OAHLLOKOSA-N 1 1 496.582 3.070 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[N@H+]1CCC[C@@H]1C ZINC001305726143 1069143471 /nfs/dbraw/zinc/14/34/71/1069143471.db2.gz VTDCCSHAMDZOMG-HNNXBMFYSA-N 1 1 484.571 3.070 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001305727809 1069146416 /nfs/dbraw/zinc/14/64/16/1069146416.db2.gz WROOAHNMIMIXNF-GOSISDBHSA-N 1 1 477.057 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001305729691 1069150760 /nfs/dbraw/zinc/15/07/60/1069150760.db2.gz AMYBUJYJEYKPAB-QGZVFWFLSA-N 1 1 455.632 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305737344 1069160289 /nfs/dbraw/zinc/16/02/89/1069160289.db2.gz IGZAVXUFNXJQJS-VEXUSMLFSA-N 1 1 482.673 3.436 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737256 1069160328 /nfs/dbraw/zinc/16/03/28/1069160328.db2.gz GZWKUEAXVYDYPM-OALUTQOASA-N 1 1 467.662 3.438 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@](C)(O)c1ccccc1Cl ZINC001305737953 1069162844 /nfs/dbraw/zinc/16/28/44/1069162844.db2.gz ARMDQAWMRYVRGO-VDABOFBKSA-N 1 1 489.064 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCOc1ncccc1Cl ZINC001305738195 1069162924 /nfs/dbraw/zinc/16/29/24/1069162924.db2.gz LVCYFWAMBABUEC-SJORKVTESA-N 1 1 478.041 3.243 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CC(C)(C)c1ccccn1 ZINC001305739097 1069166412 /nfs/dbraw/zinc/16/64/12/1069166412.db2.gz JEMMSYUBTMLYNI-AZUAARDMSA-N 1 1 453.635 3.242 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741425 1069173685 /nfs/dbraw/zinc/17/36/85/1069173685.db2.gz SBPSYEDJJULVHQ-ZWKOTPCHSA-N 1 1 469.634 3.122 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742024 1069175431 /nfs/dbraw/zinc/17/54/31/1069175431.db2.gz UGGYDZJSYJTLAO-HZPDHXFCSA-N 1 1 476.695 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(C)cc1C ZINC001305743826 1069181327 /nfs/dbraw/zinc/18/13/27/1069181327.db2.gz SYOSMLGJEJOEOH-XUZZJYLKSA-N 1 1 482.673 3.409 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC[NH+]1CCSCC1 ZINC001305745402 1069186231 /nfs/dbraw/zinc/18/62/31/1069186231.db2.gz SMPQKDVPKULVJS-YLJYHZDGSA-N 1 1 492.715 3.273 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F ZINC001305747445 1069191048 /nfs/dbraw/zinc/19/10/48/1069191048.db2.gz HCEQFOTXWBQBLN-NRFANRHFSA-N 1 1 474.572 3.086 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001305750603 1069196622 /nfs/dbraw/zinc/19/66/22/1069196622.db2.gz YKSRFJFQPUMTNH-FXAWDEMLSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001305750603 1069196631 /nfs/dbraw/zinc/19/66/31/1069196631.db2.gz YKSRFJFQPUMTNH-FXAWDEMLSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305754416 1069204986 /nfs/dbraw/zinc/20/49/86/1069204986.db2.gz DJIOAXHFZFMRKS-YLJYHZDGSA-N 1 1 491.681 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305758150 1069216521 /nfs/dbraw/zinc/21/65/21/1069216521.db2.gz CFZBTLNCUXWDGF-UHFFFAOYSA-N 1 1 465.602 3.247 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305760476 1069224542 /nfs/dbraw/zinc/22/45/42/1069224542.db2.gz JJVOBPGOYNCBIH-FDDCHVKYSA-N 1 1 460.648 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305760478 1069224674 /nfs/dbraw/zinc/22/46/74/1069224674.db2.gz JJVOBPGOYNCBIH-MBSDFSHPSA-N 1 1 460.648 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305760648 1069225767 /nfs/dbraw/zinc/22/57/67/1069225767.db2.gz CETAPIAVBHAEKA-SFHVURJKSA-N 1 1 454.619 3.197 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305760906 1069226772 /nfs/dbraw/zinc/22/67/72/1069226772.db2.gz FFSBQCLAOSQOSE-KRWDZBQOSA-N 1 1 454.619 3.251 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C2)CCCOC3)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305761752 1069228795 /nfs/dbraw/zinc/22/87/95/1069228795.db2.gz SLMQAFWOXBJZLS-DVECYGJZSA-N 1 1 458.607 3.099 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@]1(O)CCSC1 ZINC001305766904 1069238116 /nfs/dbraw/zinc/23/81/16/1069238116.db2.gz AXWKZWBOHUCTOY-FHAGJXEFSA-N 1 1 492.734 3.155 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001305767477 1069239189 /nfs/dbraw/zinc/23/91/89/1069239189.db2.gz FNWBENHIAHBSKK-GOSISDBHSA-N 1 1 472.638 3.146 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305772141 1069249891 /nfs/dbraw/zinc/24/98/91/1069249891.db2.gz OVMOEKPYAKITRC-XZOQPEGZSA-N 1 1 468.646 3.476 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001305776410 1069259595 /nfs/dbraw/zinc/25/95/95/1069259595.db2.gz NPRKEXPOQOQPHZ-KRWDZBQOSA-N 1 1 496.582 3.045 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001305777204 1069262068 /nfs/dbraw/zinc/26/20/68/1069262068.db2.gz WAQXOADGGPCVKX-MHZLTWQESA-N 1 1 494.640 3.410 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc2c1OCCCO2 ZINC001305777260 1069262658 /nfs/dbraw/zinc/26/26/58/1069262658.db2.gz XPNJPKAFZZQUDV-UHFFFAOYSA-N 1 1 484.645 3.327 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001305777249 1069262811 /nfs/dbraw/zinc/26/28/11/1069262811.db2.gz XGHGUZBONBUQHD-SANMLTNESA-N 1 1 470.662 3.415 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccccc1Cl ZINC001305777864 1069264218 /nfs/dbraw/zinc/26/42/18/1069264218.db2.gz UOGDWDRTRFXYPJ-IBGZPJMESA-N 1 1 489.064 3.447 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCSC1(C)C ZINC001305777775 1069264247 /nfs/dbraw/zinc/26/42/47/1069264247.db2.gz RAZSXIBUZMXELX-VQTJNVASSA-N 1 1 492.734 3.277 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCc1ccc2[nH]ccc2c1 ZINC001305785573 1069286399 /nfs/dbraw/zinc/28/63/99/1069286399.db2.gz HPTPPGVYMCJNQZ-GOSISDBHSA-N 1 1 451.619 3.451 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001305785637 1069286967 /nfs/dbraw/zinc/28/69/67/1069286967.db2.gz IWZBTAJQCMSTOP-JOCHJYFZSA-N 1 1 495.716 3.421 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccc(F)cc1 ZINC001305786124 1069289194 /nfs/dbraw/zinc/28/91/94/1069289194.db2.gz QQBAMQMOSXHYRU-LJQANCHMSA-N 1 1 486.636 3.268 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1ccc(F)c(COC)c1 ZINC001305786611 1069290809 /nfs/dbraw/zinc/29/08/09/1069290809.db2.gz WBJMJZUURGQEEP-QGZVFWFLSA-N 1 1 460.598 3.061 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001305786796 1069291447 /nfs/dbraw/zinc/29/14/47/1069291447.db2.gz AJWUIVRYTHZNPQ-DEOSSOPVSA-N 1 1 486.642 3.081 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1Cc1nc(C)cs1 ZINC001305786880 1069291930 /nfs/dbraw/zinc/29/19/30/1069291930.db2.gz COHBRGJYGMLJGW-UHFFFAOYSA-N 1 1 497.669 3.341 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H]1CCC(F)(F)C1 ZINC001305786924 1069292005 /nfs/dbraw/zinc/29/20/05/1069292005.db2.gz ZGVBCMGECAYKAP-QZTJIDSGSA-N 1 1 482.620 3.321 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1Cc1ccc(F)cn1 ZINC001305787323 1069293523 /nfs/dbraw/zinc/29/35/23/1069293523.db2.gz JSPDLMCAJXKVJX-UHFFFAOYSA-N 1 1 495.603 3.110 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1cccc(Cl)c1C ZINC001305787424 1069293799 /nfs/dbraw/zinc/29/37/99/1069293799.db2.gz PIECFGPSKTVKHR-QGZVFWFLSA-N 1 1 477.053 3.364 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(Cl)cc1 ZINC001305787952 1069294948 /nfs/dbraw/zinc/29/49/48/1069294948.db2.gz SCSGEMMSAHPUAH-KRWDZBQOSA-N 1 1 463.026 3.055 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1C[C@@H]1C[C@H]1C ZINC001305787936 1069295648 /nfs/dbraw/zinc/29/56/48/1069295648.db2.gz QILNSMLAWRJGOC-QUCCMNQESA-N 1 1 454.619 3.183 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+]1CC ZINC001305787943 1069295900 /nfs/dbraw/zinc/29/59/00/1069295900.db2.gz QJXTZEJWZFPLIW-ZJSXRUAMSA-N 1 1 481.689 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+]1CC ZINC001305787943 1069295913 /nfs/dbraw/zinc/29/59/13/1069295913.db2.gz QJXTZEJWZFPLIW-ZJSXRUAMSA-N 1 1 481.689 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305792349 1069305907 /nfs/dbraw/zinc/30/59/07/1069305907.db2.gz AXNQCZGMUKKPJQ-LEWJYISDSA-N 1 1 472.634 3.488 20 0 JGADMO CCOC(=O)c1nc2n(n1)CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164617727 719005978 /nfs/dbraw/zinc/00/59/78/719005978.db2.gz VYPRUTYTSVCKQD-UHFFFAOYSA-N 1 1 463.567 3.208 20 0 JGADMO CN(C)C(=O)CN1CC[C@]2(C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2c2ccccc2)C1=O ZINC001164633724 719145628 /nfs/dbraw/zinc/14/56/28/719145628.db2.gz SMHDYTVNVARCGI-NBGIEHNGSA-N 1 1 455.002 3.376 20 0 JGADMO CC[C@H]1C(=O)N(C)c2cnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc2N1C1CCCC1 ZINC001164650461 719311001 /nfs/dbraw/zinc/31/10/01/719311001.db2.gz YMTMZBFROAFALW-NRFANRHFSA-N 1 1 480.661 3.382 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1c(Cl)nc(N3CCOCC3)nc1Cl)CC2 ZINC001164650602 719312159 /nfs/dbraw/zinc/31/21/59/719312159.db2.gz ZLDQUPKFMDXPFK-UHFFFAOYSA-N 1 1 454.406 3.022 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccnc(Cl)c4F)C3)C2)cc[nH+]1 ZINC001164664129 719356676 /nfs/dbraw/zinc/35/66/76/719356676.db2.gz KWCKRTJBBWCQJZ-FQEVSTJZSA-N 1 1 470.927 3.398 20 0 JGADMO Cc1nc(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc(Cl)c1C ZINC001164663401 719357321 /nfs/dbraw/zinc/35/73/21/719357321.db2.gz FCAFSWVOGASGFE-NRFANRHFSA-N 1 1 481.979 3.271 20 0 JGADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4cc5c(cc42)OCCO5)CC3)cc1 ZINC001164673157 719497999 /nfs/dbraw/zinc/49/79/99/719497999.db2.gz OPFDNSFLVSAONK-UHFFFAOYSA-N 1 1 450.514 3.412 20 0 JGADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4cc5c(cc42)OCCO5)CC3)cc1 ZINC001164673157 719498003 /nfs/dbraw/zinc/49/80/03/719498003.db2.gz OPFDNSFLVSAONK-UHFFFAOYSA-N 1 1 450.514 3.412 20 0 JGADMO CNC(=O)CO[C@H]1COC2(C1)CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164677125 719553535 /nfs/dbraw/zinc/55/35/35/719553535.db2.gz JOSHTWDPZMJTHP-LJQANCHMSA-N 1 1 495.649 3.310 20 0 JGADMO Cc1cc(N2CCCC2)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680784 719655395 /nfs/dbraw/zinc/65/53/95/719655395.db2.gz ITTKXSDILBKCHJ-QFIPXVFZSA-N 1 1 476.669 3.479 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5OCCN(c6ncccn6)[C@H]5C3)n2)CCC4)CC1 ZINC001164690912 719800831 /nfs/dbraw/zinc/80/08/31/719800831.db2.gz CLAXKETUDBCTCF-VQTJNVASSA-N 1 1 491.665 3.296 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)nc1 ZINC001164691716 719800940 /nfs/dbraw/zinc/80/09/40/719800940.db2.gz JDMSONDWPNODIN-RBUKOAKNSA-N 1 1 477.638 3.050 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5OCCN(c6ncccn6)[C@H]5C4)c32)C1 ZINC001164690869 719801003 /nfs/dbraw/zinc/80/10/03/719801003.db2.gz BJIONKOGSYFEHY-HOJAQTOUSA-N 1 1 491.665 3.296 20 0 JGADMO COC(=O)C1CCN(c2ccnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)n2)CC1 ZINC001164692193 719810940 /nfs/dbraw/zinc/81/09/40/719810940.db2.gz NSOXBKXPZQYUEA-UHFFFAOYSA-N 1 1 470.643 3.266 20 0 JGADMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2O1 ZINC001164698635 719819274 /nfs/dbraw/zinc/81/92/74/719819274.db2.gz FMXRURGXMDXYER-NYVOZVTQSA-N 1 1 470.017 3.069 20 0 JGADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1c(C)c(C)n2Cc1ccccc1 ZINC001164702916 719868492 /nfs/dbraw/zinc/86/84/92/719868492.db2.gz JHANIXOCEALGTP-AMGIVPHBSA-N 1 1 477.609 3.329 20 0 JGADMO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164707400 719868997 /nfs/dbraw/zinc/86/89/97/719868997.db2.gz SCVHKWCVSVPSIF-DFBJGRDBSA-N 1 1 487.670 3.137 20 0 JGADMO c1csc(C[N@@H+]2CCOC3(CCN(c4nc5ccsc5c(N5CCOCC5)n4)CC3)C2)c1 ZINC001164696127 719888243 /nfs/dbraw/zinc/88/82/43/719888243.db2.gz YMXOAJNJMQHGHR-UHFFFAOYSA-N 1 1 471.652 3.461 20 0 JGADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc5ccsc5c(N5CCOCC5)n4)CC3)C2)c1 ZINC001164696127 719888245 /nfs/dbraw/zinc/88/82/45/719888245.db2.gz YMXOAJNJMQHGHR-UHFFFAOYSA-N 1 1 471.652 3.461 20 0 JGADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH]1 ZINC001164699174 719894505 /nfs/dbraw/zinc/89/45/05/719894505.db2.gz XXROYASLDDOTLS-UHFFFAOYSA-N 1 1 461.975 3.331 20 0 JGADMO O=C(c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1)N1CCOCC1 ZINC001164707554 719898536 /nfs/dbraw/zinc/89/85/36/719898536.db2.gz TZBJCYVBOMIFMD-UHFFFAOYSA-N 1 1 477.030 3.140 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164706302 719898840 /nfs/dbraw/zinc/89/88/40/719898840.db2.gz HIJYLLXXFYKKIB-UHFFFAOYSA-N 1 1 478.684 3.481 20 0 JGADMO Cc1noc([C@]23COC[C@@H]2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)n1 ZINC001164802506 720059764 /nfs/dbraw/zinc/05/97/64/720059764.db2.gz IOIUFQNLGLGAAS-UPCLLVRISA-N 1 1 466.611 3.262 20 0 JGADMO Cc1noc([C@@]23COC[C@@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)C3)n1 ZINC001164798888 720060321 /nfs/dbraw/zinc/06/03/21/720060321.db2.gz AERPTQSKCVDMPS-FYSMJZIKSA-N 1 1 466.611 3.262 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164812190 720074125 /nfs/dbraw/zinc/07/41/25/720074125.db2.gz PVCTZTFXPSNRAY-FOIQADDNSA-N 1 1 458.937 3.036 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164806814 720085201 /nfs/dbraw/zinc/08/52/01/720085201.db2.gz DHBZJQZOVCOHLQ-UWJYYQICSA-N 1 1 455.981 3.460 20 0 JGADMO CCOc1ccc(C(=O)OC)c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714933 720123344 /nfs/dbraw/zinc/12/33/44/720123344.db2.gz FRGVEULFKRKKGI-FQEVSTJZSA-N 1 1 454.571 3.169 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001164816461 720133522 /nfs/dbraw/zinc/13/35/22/720133522.db2.gz YYCCTQHPSTULIC-ATIYNZHBSA-N 1 1 463.630 3.109 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(Cl)c(C(=O)OC)c1OC)CC2 ZINC001164711277 720134271 /nfs/dbraw/zinc/13/42/71/720134271.db2.gz GYOGJLLNUCBZPT-SFHVURJKSA-N 1 1 474.989 3.433 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164710422 720140911 /nfs/dbraw/zinc/14/09/11/720140911.db2.gz BHJSCRUAJYCHGQ-JOCHJYFZSA-N 1 1 487.670 3.015 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1S(=O)(=O)N1CCCCC1)CC2 ZINC001164714595 720148517 /nfs/dbraw/zinc/14/85/17/720148517.db2.gz XOHSMNOLSQUEJB-HSZRJFAPSA-N 1 1 499.681 3.159 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001164712665 720154546 /nfs/dbraw/zinc/15/45/46/720154546.db2.gz ODYKTRHBADYGHM-IBGZPJMESA-N 1 1 457.022 3.020 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164716467 720156524 /nfs/dbraw/zinc/15/65/24/720156524.db2.gz ZKOFNNUDZKSMTA-VQTJNVASSA-N 1 1 474.005 3.200 20 0 JGADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164715115 720157552 /nfs/dbraw/zinc/15/75/52/720157552.db2.gz STIFOAVDGUQDAA-NFBKMPQASA-N 1 1 479.625 3.047 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164712463 720157751 /nfs/dbraw/zinc/15/77/51/720157751.db2.gz GWRXWPGITVBYHN-KRWDZBQOSA-N 1 1 453.921 3.457 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]1)C2 ZINC001164817899 720158599 /nfs/dbraw/zinc/15/85/99/720158599.db2.gz QRARKMFCQGGJGA-RBISFHTESA-N 1 1 476.621 3.431 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCOCC3)nc3sc(C)c(C)c31)C2 ZINC001164816295 720168540 /nfs/dbraw/zinc/16/85/40/720168540.db2.gz KUOKSLBEJPXCIH-QFQXNSOFSA-N 1 1 485.698 3.325 20 0 JGADMO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cnc1Cl ZINC001164812814 720204902 /nfs/dbraw/zinc/20/49/02/720204902.db2.gz MHPXDTUWPUPJGK-YLJYHZDGSA-N 1 1 478.005 3.258 20 0 JGADMO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cnc1Cl ZINC001164812809 720205171 /nfs/dbraw/zinc/20/51/71/720205171.db2.gz MHPXDTUWPUPJGK-XLIONFOSSA-N 1 1 478.005 3.258 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814052 720220081 /nfs/dbraw/zinc/22/00/81/720220081.db2.gz RVEVHMVPZGTFPD-UHFFFAOYSA-N 1 1 484.988 3.267 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ccn3Cc1ccc(F)cc1)CCC2 ZINC001164814706 720225224 /nfs/dbraw/zinc/22/52/24/720225224.db2.gz VUZOTCMFCIQAGM-UHFFFAOYSA-N 1 1 475.572 3.426 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)C2)C1 ZINC001164724208 720285082 /nfs/dbraw/zinc/28/50/82/720285082.db2.gz ZMFKVXTUOKZVAB-RUZDIDTESA-N 1 1 480.638 3.035 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)C2)C1 ZINC001164724208 720285087 /nfs/dbraw/zinc/28/50/87/720285087.db2.gz ZMFKVXTUOKZVAB-RUZDIDTESA-N 1 1 480.638 3.035 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](COCC(=O)N(C)C)CC[C@@H]43)c2c1C ZINC001164721166 720323185 /nfs/dbraw/zinc/32/31/85/720323185.db2.gz AWXFCAORIRWSFD-UFYCRDLUSA-N 1 1 487.670 3.135 20 0 JGADMO COc1ccc2c[nH+]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CCN4C)cc2c1 ZINC001164819938 720376692 /nfs/dbraw/zinc/37/66/92/720376692.db2.gz JPCXTEAWEOGEJA-UHFFFAOYSA-N 1 1 451.596 3.322 20 0 JGADMO CC(=O)N(C)Cc1nnc2n1CCCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164823637 720415377 /nfs/dbraw/zinc/41/53/77/720415377.db2.gz IHOVLIFKMMPOPZ-UHFFFAOYSA-N 1 1 490.637 3.400 20 0 JGADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164727909 720455725 /nfs/dbraw/zinc/45/57/25/720455725.db2.gz FEOYKGICTSTPJU-FCHUYYIVSA-N 1 1 471.533 3.409 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@H](O)[C@H]2Cc2ccccc2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164835520 720491293 /nfs/dbraw/zinc/49/12/93/720491293.db2.gz YXXPHGWDCBQCQN-ZTCOLXNVSA-N 1 1 466.626 3.063 20 0 JGADMO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]21)N1CCCCC1 ZINC001164833494 720499923 /nfs/dbraw/zinc/49/99/23/720499923.db2.gz PEEBLVQOSJQBLN-ZEVJAHDQSA-N 1 1 475.637 3.279 20 0 JGADMO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]21)N1CCCCC1 ZINC001164833494 720499926 /nfs/dbraw/zinc/49/99/26/720499926.db2.gz PEEBLVQOSJQBLN-ZEVJAHDQSA-N 1 1 475.637 3.279 20 0 JGADMO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21)N1CCCCC1 ZINC001164833493 720500059 /nfs/dbraw/zinc/50/00/59/720500059.db2.gz PEEBLVQOSJQBLN-UMFSSWHCSA-N 1 1 475.637 3.279 20 0 JGADMO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]21)N1CCCCC1 ZINC001164833493 720500068 /nfs/dbraw/zinc/50/00/68/720500068.db2.gz PEEBLVQOSJQBLN-UMFSSWHCSA-N 1 1 475.637 3.279 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836512 720509928 /nfs/dbraw/zinc/50/99/28/720509928.db2.gz MULZJYFVQGFLBQ-LZLYRXPVSA-N 1 1 482.963 3.426 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)CC[C@@H]21 ZINC001164835525 720557754 /nfs/dbraw/zinc/55/77/54/720557754.db2.gz HTAJRUKXWSSIED-BZSNNMDCSA-N 1 1 480.444 3.194 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2s1 ZINC001164839547 720573880 /nfs/dbraw/zinc/57/38/80/720573880.db2.gz QMJBSQIBVMGBNT-ZHALLVOQSA-N 1 1 454.600 3.442 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC[C@@H]21 ZINC001164843576 720578223 /nfs/dbraw/zinc/57/82/23/720578223.db2.gz YHTZIMVSCNJRFF-CBQOVEMMSA-N 1 1 454.619 3.133 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164841605 720612750 /nfs/dbraw/zinc/61/27/50/720612750.db2.gz TYJHAUOMNQTPTA-XKCSPQBFSA-N 1 1 474.675 3.123 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837786 720639222 /nfs/dbraw/zinc/63/92/22/720639222.db2.gz JLPXKRGCTLIPCS-YESZJQIVSA-N 1 1 453.969 3.315 20 0 JGADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842526 720644911 /nfs/dbraw/zinc/64/49/11/720644911.db2.gz RVJHBOLQWKAHTL-RBSFLKMASA-N 1 1 453.374 3.144 20 0 JGADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164745689 720649851 /nfs/dbraw/zinc/64/98/51/720649851.db2.gz VEAJYZZMIYZAQN-QWHCGFSZSA-N 1 1 450.852 3.099 20 0 JGADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164745689 720649873 /nfs/dbraw/zinc/64/98/73/720649873.db2.gz VEAJYZZMIYZAQN-QWHCGFSZSA-N 1 1 450.852 3.099 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841975 720653089 /nfs/dbraw/zinc/65/30/89/720653089.db2.gz RJGPIOLAJQFSRS-RYQLBKOJSA-N 1 1 488.004 3.258 20 0 JGADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738546 720662072 /nfs/dbraw/zinc/66/20/72/720662072.db2.gz KKCJAIPNOGLPEF-QZTJIDSGSA-N 1 1 458.900 3.474 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(Cl)nc(Cl)nc1C(N)=O)CC2 ZINC001164843647 720696124 /nfs/dbraw/zinc/69/61/24/720696124.db2.gz PTLUFPLIGDVDKI-HNNXBMFYSA-N 1 1 450.370 3.142 20 0 JGADMO COC(=O)C1CCN(c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)CC1 ZINC001164845274 720699292 /nfs/dbraw/zinc/69/92/92/720699292.db2.gz XOKBNRBEBRIGKC-QHCPKHFHSA-N 1 1 479.625 3.126 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164838989 720709703 /nfs/dbraw/zinc/70/97/03/720709703.db2.gz JXMBEOZFASNTFB-QHCPKHFHSA-N 1 1 477.657 3.332 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164836969 720719820 /nfs/dbraw/zinc/71/98/20/720719820.db2.gz CEEXPMIISDAESU-JOCHJYFZSA-N 1 1 470.639 3.126 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164836971 720721227 /nfs/dbraw/zinc/72/12/27/720721227.db2.gz CEEXPMIISDAESU-QFIPXVFZSA-N 1 1 470.639 3.126 20 0 JGADMO c1cc(C2OCCCO2)ccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746891 720740879 /nfs/dbraw/zinc/74/08/79/720740879.db2.gz YVXOSQMETSTLHP-GOTSBHOMSA-N 1 1 459.550 3.316 20 0 JGADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745275 720758725 /nfs/dbraw/zinc/75/87/25/720758725.db2.gz UVCIWAMMSANEGT-CVEARBPZSA-N 1 1 453.930 3.197 20 0 JGADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741772 720763591 /nfs/dbraw/zinc/76/35/91/720763591.db2.gz MZSTZOUTKRGDLI-FCHUYYIVSA-N 1 1 455.566 3.228 20 0 JGADMO c1cc(N2CCCCC2)ccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164748212 720794524 /nfs/dbraw/zinc/79/45/24/720794524.db2.gz QBSDHMXZJZEDJE-PKTZIBPZSA-N 1 1 457.582 3.266 20 0 JGADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164749276 720803592 /nfs/dbraw/zinc/80/35/92/720803592.db2.gz STXFDCWKEVHVSH-YJBOKZPZSA-N 1 1 454.918 3.063 20 0 JGADMO COc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164749882 720805866 /nfs/dbraw/zinc/80/58/66/720805866.db2.gz URHASTAXLOGYCD-WMZOPIPTSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164749882 720805867 /nfs/dbraw/zinc/80/58/67/720805867.db2.gz URHASTAXLOGYCD-WMZOPIPTSA-N 1 1 488.926 3.482 20 0 JGADMO O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752774 720814103 /nfs/dbraw/zinc/81/41/03/720814103.db2.gz ZVEPHOOPJSPWET-BGWNEDDSSA-N 1 1 463.630 3.115 20 0 JGADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164740691 720819019 /nfs/dbraw/zinc/81/90/19/720819019.db2.gz KPZDVVPSCQEWIZ-MGPQQGTHSA-N 1 1 494.818 3.351 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164746213 720819094 /nfs/dbraw/zinc/81/90/94/720819094.db2.gz YLQBSWRVPGHVSH-LZLYRXPVSA-N 1 1 480.947 3.037 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cnc1Cl ZINC001164739196 720821187 /nfs/dbraw/zinc/82/11/87/720821187.db2.gz HQSWYKNUCXAINZ-SZVBFZGTSA-N 1 1 480.947 3.037 20 0 JGADMO O=C([C@@H]1CC[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1)N1CCCO1 ZINC001164847705 720821777 /nfs/dbraw/zinc/82/17/77/720821777.db2.gz KHFGJZGHHBFDHE-AABGKKOBSA-N 1 1 497.665 3.456 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738812 720823730 /nfs/dbraw/zinc/82/37/30/720823730.db2.gz GUTTWMJUHCKTQA-SFHLNBCPSA-N 1 1 493.637 3.353 20 0 JGADMO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164737345 720823797 /nfs/dbraw/zinc/82/37/97/720823797.db2.gz AENBCULISIKDRV-LLGFUMIMSA-N 1 1 453.978 3.263 20 0 JGADMO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164737343 720824086 /nfs/dbraw/zinc/82/40/86/720824086.db2.gz AENBCULISIKDRV-CBGDNZLLSA-N 1 1 453.978 3.263 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742627 720826014 /nfs/dbraw/zinc/82/60/14/720826014.db2.gz QEVAJWJMIFURIE-SOLBZPMBSA-N 1 1 480.947 3.037 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745619 720826373 /nfs/dbraw/zinc/82/63/73/720826373.db2.gz XIBFXZFMGJPNQD-DBXWQHBBSA-N 1 1 496.015 3.431 20 0 JGADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164745042 720826527 /nfs/dbraw/zinc/82/65/27/720826527.db2.gz VYVNWVSSNBXTEN-SOLBZPMBSA-N 1 1 452.937 3.259 20 0 JGADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164740140 720827185 /nfs/dbraw/zinc/82/71/85/720827185.db2.gz JDPRMYWUMGLQTD-NLWGTHIKSA-N 1 1 458.994 3.191 20 0 JGADMO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737740 720827628 /nfs/dbraw/zinc/82/76/28/720827628.db2.gz CJHFFFJPLPAZDJ-ZHALLVOQSA-N 1 1 453.978 3.263 20 0 JGADMO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746141 720827725 /nfs/dbraw/zinc/82/77/25/720827725.db2.gz XZHKNXDBWOHIET-WCIQWLHISA-N 1 1 498.035 3.150 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2cc1OC ZINC001164739661 720829910 /nfs/dbraw/zinc/82/99/10/720829910.db2.gz HZVQOKBQGXCRBS-MBOZVWFJSA-N 1 1 484.004 3.271 20 0 JGADMO O=C(Nc1ccccc1)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164745135 720830288 /nfs/dbraw/zinc/83/02/88/720830288.db2.gz WPWBPOKMQRBRDX-OEMFJLHTSA-N 1 1 457.582 3.305 20 0 JGADMO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749336 720832656 /nfs/dbraw/zinc/83/26/56/720832656.db2.gz VPUUAUPPNLQBBJ-SONWIMMPSA-N 1 1 468.609 3.451 20 0 JGADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739983 720833282 /nfs/dbraw/zinc/83/32/82/720833282.db2.gz BHOPMMYODYDFCH-SLFFLAALSA-N 1 1 472.037 3.234 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c(C)c(C)c-2n1 ZINC001164741130 720835539 /nfs/dbraw/zinc/83/55/39/720835539.db2.gz DDHBWHUWRNMAPC-SXWKCWPCSA-N 1 1 477.613 3.327 20 0 JGADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739352 720835854 /nfs/dbraw/zinc/83/58/54/720835854.db2.gz AAVLAZKFHPNILR-JFIYKMOQSA-N 1 1 474.947 3.194 20 0 JGADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164746580 720836008 /nfs/dbraw/zinc/83/60/08/720836008.db2.gz OTNRTKDGKFZMDG-XKGZKEIXSA-N 1 1 484.967 3.427 20 0 JGADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164741326 720844529 /nfs/dbraw/zinc/84/45/29/720844529.db2.gz FAUSPHZIMXHICC-CEWLAPEOSA-N 1 1 453.591 3.400 20 0 JGADMO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751967 720850077 /nfs/dbraw/zinc/85/00/77/720850077.db2.gz ZYHPOTVUYYHCQR-HLLBOEOZSA-N 1 1 462.936 3.127 20 0 JGADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164748681 720851663 /nfs/dbraw/zinc/85/16/63/720851663.db2.gz LPPOSNLJHQSHIA-GPXNEJASSA-N 1 1 487.608 3.276 20 0 JGADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c(OC)c1 ZINC001164753051 720852315 /nfs/dbraw/zinc/85/23/15/720852315.db2.gz VOYOTSZQPUOSKZ-JXALWOEJSA-N 1 1 475.597 3.132 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753985 720856693 /nfs/dbraw/zinc/85/66/93/720856693.db2.gz ZQETXAPTTLLTNS-JENIJYKNSA-N 1 1 495.962 3.343 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753548 720861912 /nfs/dbraw/zinc/86/19/12/720861912.db2.gz XSEMULMPGMCHED-HRCADAONSA-N 1 1 495.003 3.342 20 0 JGADMO O=C(c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CCCC1 ZINC001164754327 720869216 /nfs/dbraw/zinc/86/92/16/720869216.db2.gz REMKPRDUGPMCEE-YWEHKCAJSA-N 1 1 475.637 3.468 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751543 720870635 /nfs/dbraw/zinc/87/06/35/720870635.db2.gz KXYQWZBNSUJIFY-NBGIEHNGSA-N 1 1 486.016 3.457 20 0 JGADMO CCOC(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752336 720872398 /nfs/dbraw/zinc/87/23/98/720872398.db2.gz MNEKHGFUHODJSO-BKMJKUGQSA-N 1 1 450.583 3.408 20 0 JGADMO COC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1OC ZINC001164750754 720875597 /nfs/dbraw/zinc/87/55/97/720875597.db2.gz JRBLRBHNFHWXJI-RLWLMLJZSA-N 1 1 466.582 3.027 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164859122 720875991 /nfs/dbraw/zinc/87/59/91/720875991.db2.gz LQFGNLINYBLDIR-SFTDATJTSA-N 1 1 473.687 3.468 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164855532 720876718 /nfs/dbraw/zinc/87/67/18/720876718.db2.gz HDDLIGMDMCTABJ-FPOVZHCZSA-N 1 1 485.698 3.339 20 0 JGADMO CC(C)OC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164753977 720879143 /nfs/dbraw/zinc/87/91/43/720879143.db2.gz QPBHAOKTMHUIGU-NVQXNPDNSA-N 1 1 465.598 3.192 20 0 JGADMO CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747227 720881445 /nfs/dbraw/zinc/88/14/45/720881445.db2.gz APNBROFQNSXGGX-NVQXNPDNSA-N 1 1 465.598 3.112 20 0 JGADMO COC(=O)c1cc(OC)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753947 720882014 /nfs/dbraw/zinc/88/20/14/720882014.db2.gz HVWMXOGLBYBMOH-QFQXNSOFSA-N 1 1 466.582 3.027 20 0 JGADMO COC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1F ZINC001164758847 720882282 /nfs/dbraw/zinc/88/22/82/720882282.db2.gz ZVWUKAJNBCQTDD-NBGIEHNGSA-N 1 1 454.546 3.157 20 0 JGADMO Cc1nc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2[nH]1 ZINC001164753838 720882352 /nfs/dbraw/zinc/88/23/52/720882352.db2.gz HHTNKUNAHXESSX-NTKDMRAZSA-N 1 1 468.005 3.465 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164753838 720882353 /nfs/dbraw/zinc/88/23/53/720882353.db2.gz HHTNKUNAHXESSX-NTKDMRAZSA-N 1 1 468.005 3.465 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164753838 720882356 /nfs/dbraw/zinc/88/23/56/720882356.db2.gz HHTNKUNAHXESSX-NTKDMRAZSA-N 1 1 468.005 3.465 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC[C@@H]2C1 ZINC001164859796 720884794 /nfs/dbraw/zinc/88/47/94/720884794.db2.gz MVEJNXCSXHBIFU-RDGATRHJSA-N 1 1 451.615 3.307 20 0 JGADMO COC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164755000 720885464 /nfs/dbraw/zinc/88/54/64/720885464.db2.gz KCINBLBUUCPDCT-NVQXNPDNSA-N 1 1 450.583 3.327 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)Oc3cccc(COc4cncc(Cl)n4)c3)CC[C@H]2C1 ZINC001164853306 720887977 /nfs/dbraw/zinc/88/79/77/720887977.db2.gz BRZKPOYDKTUPOZ-ICSRJNTNSA-N 1 1 498.958 3.307 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)CC[C@@H]2C1 ZINC001164852864 720890325 /nfs/dbraw/zinc/89/03/25/720890325.db2.gz ADFOWAYWMUNCHL-NQIIRXRSSA-N 1 1 481.000 3.428 20 0 JGADMO CCOC(=O)Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755340 720891283 /nfs/dbraw/zinc/89/12/83/720891283.db2.gz LAVKXARFIVUALQ-RPLLCQBOSA-N 1 1 464.610 3.337 20 0 JGADMO CCOC(=O)c1ncnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164756841 720893657 /nfs/dbraw/zinc/89/36/57/720893657.db2.gz RLPIIDGOPGKOBO-GJZUVCINSA-N 1 1 465.598 3.112 20 0 JGADMO CCOc1ccc(C(=O)OC)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757169 720894460 /nfs/dbraw/zinc/89/44/60/720894460.db2.gz UBFUYYIXVRAIAB-CUNXSJBXSA-N 1 1 480.609 3.417 20 0 JGADMO COC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C ZINC001164753933 720895428 /nfs/dbraw/zinc/89/54/28/720895428.db2.gz HVSMXWPTVXKWKR-ATIYNZHBSA-N 1 1 450.583 3.327 20 0 JGADMO CCN(CC)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753925 720898529 /nfs/dbraw/zinc/89/85/29/720898529.db2.gz HVMLNEQLQVPYJL-JYFHCDHNSA-N 1 1 450.631 3.473 20 0 JGADMO Cc1cn(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cn1 ZINC001164752716 720898649 /nfs/dbraw/zinc/89/86/49/720898649.db2.gz FUILBKFZWBNKOS-OZXSUGGESA-N 1 1 459.598 3.121 20 0 JGADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757796 720900069 /nfs/dbraw/zinc/90/00/69/720900069.db2.gz VPVAJQKPCQWYMA-KCWPFWIISA-N 1 1 479.625 3.174 20 0 JGADMO COC(=O)c1cc2c[nH]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc-2n1 ZINC001164754547 720901091 /nfs/dbraw/zinc/90/10/91/720901091.db2.gz JIWOFJBJFCWZMA-AJTFRIOCSA-N 1 1 475.593 3.500 20 0 JGADMO COC(=O)CSc1cccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758479 720901324 /nfs/dbraw/zinc/90/13/24/720901324.db2.gz YLQXQHABSSWLLR-ATIYNZHBSA-N 1 1 482.650 3.497 20 0 JGADMO CCCNC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750818 720910220 /nfs/dbraw/zinc/91/02/20/720910220.db2.gz KNFYURGPIJHOBJ-KCWPFWIISA-N 1 1 463.626 3.372 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)c4ccno4)[C@@H]3C2)nc1 ZINC001164855195 720913743 /nfs/dbraw/zinc/91/37/43/720913743.db2.gz HRJSDNMAGLHFNY-YYTDSSBASA-N 1 1 453.587 3.278 20 0 JGADMO COC(=O)c1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747443 720922970 /nfs/dbraw/zinc/92/29/70/720922970.db2.gz DFDFHNRFHODSBI-YADARESESA-N 1 1 471.989 3.067 20 0 JGADMO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750867 720939001 /nfs/dbraw/zinc/93/90/01/720939001.db2.gz KZBKENJHWDBBHH-WTIAFYNJSA-N 1 1 461.969 3.408 20 0 JGADMO Cc1cc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc(N3CCOCC3)c2s1 ZINC001164860500 720973839 /nfs/dbraw/zinc/97/38/39/720973839.db2.gz OLPOXQHJEINQLD-KRWDZBQOSA-N 1 1 455.632 3.454 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c(-c4cnn(C)c4)nnn3C[C@H]2COC)nc1 ZINC001164760362 721025319 /nfs/dbraw/zinc/02/53/19/721025319.db2.gz ONHTVDVUVOEYDO-SFTDATJTSA-N 1 1 450.591 3.046 20 0 JGADMO C[Si](C)(C)c1ccc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1Cl ZINC001164862020 721032829 /nfs/dbraw/zinc/03/28/29/721032829.db2.gz KDMMASBUSHOWEZ-UHFFFAOYSA-N 1 1 450.997 3.329 20 0 JGADMO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cn1 ZINC001164762960 721037938 /nfs/dbraw/zinc/03/79/38/721037938.db2.gz JJWWRMYYAGFWNI-PMACEKPBSA-N 1 1 491.665 3.393 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)nc1 ZINC001164862620 721038594 /nfs/dbraw/zinc/03/85/94/721038594.db2.gz MYCNBJBJXAXPOU-QFIPXVFZSA-N 1 1 450.587 3.211 20 0 JGADMO CCn1nnc2c1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)[C@@H]2COCc1ccccc1 ZINC001164774932 721049355 /nfs/dbraw/zinc/04/93/55/721049355.db2.gz ZISHTOFDQXXZNU-XMMPIXPASA-N 1 1 462.598 3.487 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1)N1CCCCC1 ZINC001164867771 721062632 /nfs/dbraw/zinc/06/26/32/721062632.db2.gz KILKPOOYEGGKSL-NHCUHLMSSA-N 1 1 455.990 3.236 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@H]4OCCC[C@H]43)c2c1C ZINC001164774150 721066703 /nfs/dbraw/zinc/06/67/03/721066703.db2.gz YZCZEJHVKDGMLR-YCRNBWNJSA-N 1 1 494.665 3.409 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)CC5)C[C@@H]3C2)cn1 ZINC001164761097 721089153 /nfs/dbraw/zinc/08/91/53/721089153.db2.gz AXGYMSNWCGBRRZ-YADHBBJMSA-N 1 1 478.044 3.380 20 0 JGADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164865576 721090797 /nfs/dbraw/zinc/09/07/97/721090797.db2.gz NDKRPLAKXWUCSU-PKTZIBPZSA-N 1 1 489.624 3.123 20 0 JGADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864705 721108735 /nfs/dbraw/zinc/10/87/35/721108735.db2.gz GOXWOWRLFRVPMZ-PKOBYXMFSA-N 1 1 456.909 3.331 20 0 JGADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164866357 721111860 /nfs/dbraw/zinc/11/18/60/721111860.db2.gz SOJUNAUDRZQXHO-PKOBYXMFSA-N 1 1 456.909 3.331 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164876504 721135224 /nfs/dbraw/zinc/13/52/24/721135224.db2.gz MVPRBLJXLBXEKF-OALUTQOASA-N 1 1 467.957 3.335 20 0 JGADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164872226 721140061 /nfs/dbraw/zinc/14/00/61/721140061.db2.gz GZLHBPBNPNXCJC-PKTZIBPZSA-N 1 1 455.562 3.159 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164773382 721187059 /nfs/dbraw/zinc/18/70/59/721187059.db2.gz WWIYBDLOCQXSBD-MSOLQXFVSA-N 1 1 454.962 3.152 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C[C@H]3C2)cn1 ZINC001164763256 721189063 /nfs/dbraw/zinc/18/90/63/721189063.db2.gz DZCJJHSPWJVBEA-QZTJIDSGSA-N 1 1 459.932 3.429 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868412 721196928 /nfs/dbraw/zinc/19/69/28/721196928.db2.gz MRICSYYYBITVMV-GJZGRUSLSA-N 1 1 466.945 3.245 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5[C@H](C4)OCCN5c4cnccn4)c32)C1 ZINC001164765196 721264789 /nfs/dbraw/zinc/26/47/89/721264789.db2.gz JHAYCECJZUBCAQ-RLLQIKCJSA-N 1 1 491.665 3.296 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)n1 ZINC001164764625 721265331 /nfs/dbraw/zinc/26/53/31/721265331.db2.gz HRAMAFOFEDRVOJ-PMACEKPBSA-N 1 1 473.606 3.304 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC2)C1 ZINC001164869853 721270712 /nfs/dbraw/zinc/27/07/12/721270712.db2.gz QESCDCIHYKDAAX-UHFFFAOYSA-N 1 1 466.960 3.440 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cccc4ccnc(Cl)c43)CC2)C1 ZINC001164874313 721276687 /nfs/dbraw/zinc/27/66/87/721276687.db2.gz PUPBYGKGNVHQIV-UHFFFAOYSA-N 1 1 466.960 3.440 20 0 JGADMO CN(C)C(=O)CN1CCOCC2(CCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC2)C1 ZINC001164872877 721277074 /nfs/dbraw/zinc/27/70/74/721277074.db2.gz HAACQFLUZBDUKH-UHFFFAOYSA-N 1 1 461.610 3.092 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC2)C1 ZINC001164876578 721287374 /nfs/dbraw/zinc/28/73/74/721287374.db2.gz ISZHDQIDOPUYCG-UHFFFAOYSA-N 1 1 493.986 3.349 20 0 JGADMO Cc1ccc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]32)nn1 ZINC001164775711 721312761 /nfs/dbraw/zinc/31/27/61/721312761.db2.gz IQHVHBVTYKTPPF-PMACEKPBSA-N 1 1 491.665 3.358 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779784 721341745 /nfs/dbraw/zinc/34/17/45/721341745.db2.gz WMFQMORBRXCDCV-QFIPXVFZSA-N 1 1 463.966 3.031 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779784 721341748 /nfs/dbraw/zinc/34/17/48/721341748.db2.gz WMFQMORBRXCDCV-QFIPXVFZSA-N 1 1 463.966 3.031 20 0 JGADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc-2n1 ZINC001164779089 721348733 /nfs/dbraw/zinc/34/87/33/721348733.db2.gz QOKAAGULMJHVGR-VWLOTQADSA-N 1 1 483.569 3.082 20 0 JGADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777414 721350457 /nfs/dbraw/zinc/35/04/57/721350457.db2.gz GTQXWXSGWZQKAZ-VWLOTQADSA-N 1 1 469.586 3.255 20 0 JGADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777414 721350462 /nfs/dbraw/zinc/35/04/62/721350462.db2.gz GTQXWXSGWZQKAZ-VWLOTQADSA-N 1 1 469.586 3.255 20 0 JGADMO COc1cc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c(OC)c1 ZINC001164776467 721353473 /nfs/dbraw/zinc/35/34/73/721353473.db2.gz BXJPKABLPISXFT-VWLOTQADSA-N 1 1 467.570 3.371 20 0 JGADMO COc1nc(-c2ccccc2)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164785074 721356068 /nfs/dbraw/zinc/35/60/68/721356068.db2.gz RWLJRIKPWIVEAE-RUZDIDTESA-N 1 1 464.570 3.271 20 0 JGADMO COc1nc(-c2ccccc2)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164785074 721356073 /nfs/dbraw/zinc/35/60/73/721356073.db2.gz RWLJRIKPWIVEAE-RUZDIDTESA-N 1 1 464.570 3.271 20 0 JGADMO CCOC(=O)/C=C\c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780812 721357354 /nfs/dbraw/zinc/35/73/54/721357354.db2.gz HTJXWJLDPSHIJG-XMYAASDLSA-N 1 1 454.571 3.382 20 0 JGADMO CCOC(=O)/C=C/c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780809 721358115 /nfs/dbraw/zinc/35/81/15/721358115.db2.gz HTJXWJLDPSHIJG-CFSVISAESA-N 1 1 454.571 3.382 20 0 JGADMO O=C1CO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2N1c1cccc(F)c1 ZINC001164881871 721363904 /nfs/dbraw/zinc/36/39/04/721363904.db2.gz GOFGHZUWPJYVNS-RPBOFIJWSA-N 1 1 458.537 3.400 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3nc(C)n4C)C2)C1 ZINC001164782999 721364188 /nfs/dbraw/zinc/36/41/88/721364188.db2.gz OTDIQHZTUBBHHX-QFIPXVFZSA-N 1 1 459.982 3.049 20 0 JGADMO Cc1cc(NC(=O)c2cccnc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)no1 ZINC001164782255 721365810 /nfs/dbraw/zinc/36/58/10/721365810.db2.gz LRWIATAUSKIFOX-RUZDIDTESA-N 1 1 480.569 3.354 20 0 JGADMO Cc1cc(NC(=O)c2cccnc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)no1 ZINC001164782255 721365815 /nfs/dbraw/zinc/36/58/15/721365815.db2.gz LRWIATAUSKIFOX-RUZDIDTESA-N 1 1 480.569 3.354 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(Cn4ccccc4=O)cn3)C2)C1 ZINC001164780767 721368031 /nfs/dbraw/zinc/36/80/31/721368031.db2.gz HFVXFKXERIXLRS-AREMUKBSSA-N 1 1 463.582 3.015 20 0 JGADMO COc1cc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(Cl)n1 ZINC001164783760 721375830 /nfs/dbraw/zinc/37/58/30/721375830.db2.gz OWJQMAXRGLOBFS-FQEVSTJZSA-N 1 1 471.936 3.407 20 0 JGADMO COc1cc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(Cl)n1 ZINC001164783760 721375834 /nfs/dbraw/zinc/37/58/34/721375834.db2.gz OWJQMAXRGLOBFS-FQEVSTJZSA-N 1 1 471.936 3.407 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001164779896 721380095 /nfs/dbraw/zinc/38/00/95/721380095.db2.gz DJPDIAAQSNPCCP-DWLFOUALSA-N 1 1 455.990 3.140 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164779895 721380170 /nfs/dbraw/zinc/38/01/70/721380170.db2.gz DJPDIAAQSNPCCP-CZTZKLFOSA-N 1 1 455.990 3.140 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C3)O2)CC1 ZINC001164890417 721391464 /nfs/dbraw/zinc/39/14/64/721391464.db2.gz NFHJAQOINNZBFC-PGRDOPGGSA-N 1 1 485.023 3.041 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164892198 721395080 /nfs/dbraw/zinc/39/50/80/721395080.db2.gz SBORHFFKKCGHLU-RDTXWAMCSA-N 1 1 450.361 3.094 20 0 JGADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164781009 721395081 /nfs/dbraw/zinc/39/50/81/721395081.db2.gz AAYKBRXOAPPPOL-ROUUACIJSA-N 1 1 480.619 3.001 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1Cl ZINC001164893594 721396261 /nfs/dbraw/zinc/39/62/61/721396261.db2.gz VURQBIZEOLIQJY-AOMKIAJQSA-N 1 1 471.429 3.331 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164888279 721403753 /nfs/dbraw/zinc/40/37/53/721403753.db2.gz NWCVBXVSLKVLRC-PXDATVDWSA-N 1 1 456.034 3.486 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164888275 721404191 /nfs/dbraw/zinc/40/41/91/721404191.db2.gz NWCVBXVSLKVLRC-BWKNWUBXSA-N 1 1 456.034 3.486 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164888281 721404335 /nfs/dbraw/zinc/40/43/35/721404335.db2.gz NWCVBXVSLKVLRC-SQJMNOBHSA-N 1 1 456.034 3.486 20 0 JGADMO CN(C)C(=O)c1cc2cnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164789531 721410830 /nfs/dbraw/zinc/41/08/30/721410830.db2.gz UYQXXXYVNWRPAA-HDICACEKSA-N 1 1 465.627 3.273 20 0 JGADMO CN(C)C(=O)c1cc2cnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164789531 721410832 /nfs/dbraw/zinc/41/08/32/721410832.db2.gz UYQXXXYVNWRPAA-HDICACEKSA-N 1 1 465.627 3.273 20 0 JGADMO CCOc1cc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OCC ZINC001164892581 721411700 /nfs/dbraw/zinc/41/17/00/721411700.db2.gz YWKZEJWMQBEMHB-IBVKSMDESA-N 1 1 469.630 3.193 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2cc1OC ZINC001164887680 721413664 /nfs/dbraw/zinc/41/36/64/721413664.db2.gz MEAFGVHVJPXWGU-OSPHWJPCSA-N 1 1 476.021 3.066 20 0 JGADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787225 721420221 /nfs/dbraw/zinc/42/02/21/721420221.db2.gz PRMJWLROMMMLSE-MDFLRMMOSA-N 1 1 469.611 3.277 20 0 JGADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787225 721420227 /nfs/dbraw/zinc/42/02/27/721420227.db2.gz PRMJWLROMMMLSE-MDFLRMMOSA-N 1 1 469.611 3.277 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Oc5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164883737 721421466 /nfs/dbraw/zinc/42/14/66/721421466.db2.gz BXTBBBKBQBQXRN-XXBNENTESA-N 1 1 476.984 3.222 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5nc(C(C)(C)C)no5)ccn4)C3)O2)CC1 ZINC001164899965 721428993 /nfs/dbraw/zinc/42/89/93/721428993.db2.gz ZQGNJDSLQNZYLT-CPJSRVTESA-N 1 1 454.619 3.195 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c(Cl)nccc54)C3)O2)CC1 ZINC001164893758 721431636 /nfs/dbraw/zinc/43/16/36/721431636.db2.gz KISDQPMATQSXFB-QVKFZJNVSA-N 1 1 451.402 3.097 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(C(=O)N5CCCCC5)cc4Cl)C3)O2)CC1 ZINC001164889548 721437373 /nfs/dbraw/zinc/43/73/73/721437373.db2.gz BNUUFRZIVBWXNV-BWKNWUBXSA-N 1 1 476.065 3.127 20 0 JGADMO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164786316 721440837 /nfs/dbraw/zinc/44/08/37/721440837.db2.gz UQGVAOLAGOAGOH-SANMLTNESA-N 1 1 481.604 3.484 20 0 JGADMO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164786316 721440841 /nfs/dbraw/zinc/44/08/41/721440841.db2.gz UQGVAOLAGOAGOH-SANMLTNESA-N 1 1 481.604 3.484 20 0 JGADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164895420 721444920 /nfs/dbraw/zinc/44/49/20/721444920.db2.gz OWGHTEQLNISRQQ-BVAGGSTKSA-N 1 1 451.615 3.129 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cncc(OCc5cccc(Cl)c5)n4)C3)O2)CC1 ZINC001164884949 721447633 /nfs/dbraw/zinc/44/76/33/721447633.db2.gz CZNFYEPKMYBXEK-RDGATRHJSA-N 1 1 472.033 3.474 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C(=O)OC)CC2 ZINC001164784070 721450040 /nfs/dbraw/zinc/45/00/40/721450040.db2.gz DKIVTGNTVACLNJ-SFHVURJKSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(Cl)c1C(=O)OC)CC2 ZINC001164789484 721452175 /nfs/dbraw/zinc/45/21/75/721452175.db2.gz WRNKKXUWRQULIL-GOSISDBHSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(C(=O)OC)c[nH]c3n1)CC2 ZINC001164788722 721455618 /nfs/dbraw/zinc/45/56/18/721455618.db2.gz TUEXUELGQDQOBS-IBGZPJMESA-N 1 1 456.587 3.083 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164789305 721458920 /nfs/dbraw/zinc/45/89/20/721458920.db2.gz WPKKCIROKCUWLD-QFIPXVFZSA-N 1 1 493.652 3.097 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)cc1OCC ZINC001164785847 721459500 /nfs/dbraw/zinc/45/95/00/721459500.db2.gz NYCBSZQPVVIALX-OAQYLSRUSA-N 1 1 475.630 3.391 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164787752 721460261 /nfs/dbraw/zinc/46/02/61/721460261.db2.gz SBIYRMPJSVWACS-MRXNPFEDSA-N 1 1 452.024 3.474 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c(OC)c1 ZINC001164789262 721462595 /nfs/dbraw/zinc/46/25/95/721462595.db2.gz WDGJIFKBMYVNDM-OAQYLSRUSA-N 1 1 461.603 3.001 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164782834 721463718 /nfs/dbraw/zinc/46/37/18/721463718.db2.gz CUWHIEROIOQPDW-JOCHJYFZSA-N 1 1 458.647 3.344 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(SCC(=O)OC)n1)CC2 ZINC001164782844 721464780 /nfs/dbraw/zinc/46/47/80/721464780.db2.gz CZLRHFMAPVNTRB-FQEVSTJZSA-N 1 1 463.644 3.081 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CC2 ZINC001164786339 721471690 /nfs/dbraw/zinc/47/16/90/721471690.db2.gz AUPGNGWTCKVNRH-SFHVURJKSA-N 1 1 488.023 3.475 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)CC2 ZINC001164790676 721473170 /nfs/dbraw/zinc/47/31/70/721473170.db2.gz UNTMGSZDHVFZPG-INIZCTEOSA-N 1 1 487.428 3.304 20 0 JGADMO Fc1cccnc1OC[C@]12COC[C@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164791057 721486170 /nfs/dbraw/zinc/48/61/70/721486170.db2.gz AKZKMRVGQXWOAU-IBVKSMDESA-N 1 1 461.541 3.101 20 0 JGADMO Fc1cccnc1OC[C@]12COC[C@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164791057 721486172 /nfs/dbraw/zinc/48/61/72/721486172.db2.gz AKZKMRVGQXWOAU-IBVKSMDESA-N 1 1 461.541 3.101 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164795989 721500203 /nfs/dbraw/zinc/50/02/03/721500203.db2.gz OMMWJTVLEVPPJZ-UHFFFAOYSA-N 1 1 457.644 3.388 20 0 JGADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164795036 721502492 /nfs/dbraw/zinc/50/24/92/721502492.db2.gz BGLHPDYLGAERQQ-UHFFFAOYSA-N 1 1 455.628 3.142 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c21 ZINC001164795344 721526836 /nfs/dbraw/zinc/52/68/36/721526836.db2.gz NGJAIFMYHNTUIS-AWRGLXIESA-N 1 1 486.576 3.322 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c21 ZINC001164795344 721526839 /nfs/dbraw/zinc/52/68/39/721526839.db2.gz NGJAIFMYHNTUIS-AWRGLXIESA-N 1 1 486.576 3.322 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164794861 721528070 /nfs/dbraw/zinc/52/80/70/721528070.db2.gz IQPTZMSAOVIZPU-BZSNNMDCSA-N 1 1 481.931 3.115 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164794861 721528072 /nfs/dbraw/zinc/52/80/72/721528072.db2.gz IQPTZMSAOVIZPU-BZSNNMDCSA-N 1 1 481.931 3.115 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)NCc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164799900 721532713 /nfs/dbraw/zinc/53/27/13/721532713.db2.gz BRUIFAXOZLSSHN-GVAUOCQISA-N 1 1 457.578 3.275 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)NCc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164799900 721532718 /nfs/dbraw/zinc/53/27/18/721532718.db2.gz BRUIFAXOZLSSHN-GVAUOCQISA-N 1 1 457.578 3.275 20 0 JGADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164805511 721536312 /nfs/dbraw/zinc/53/63/12/721536312.db2.gz LZKDSNYYTHCITQ-GJYPPUQNSA-N 1 1 452.937 3.004 20 0 JGADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164805511 721536315 /nfs/dbraw/zinc/53/63/15/721536315.db2.gz LZKDSNYYTHCITQ-GJYPPUQNSA-N 1 1 452.937 3.004 20 0 JGADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CC[N@H+]3C2)c1 ZINC001164903070 721541749 /nfs/dbraw/zinc/54/17/49/721541749.db2.gz BZTAQFABVHXUOR-FPOVZHCZSA-N 1 1 462.504 3.495 20 0 JGADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905794 721548728 /nfs/dbraw/zinc/54/87/28/721548728.db2.gz IHRWJENKHQSSNX-NQIIRXRSSA-N 1 1 484.553 3.153 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164811189 721551224 /nfs/dbraw/zinc/55/12/24/721551224.db2.gz ZIPJCPPZFYJAGW-ABSDTBQOSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164811189 721551229 /nfs/dbraw/zinc/55/12/29/721551229.db2.gz ZIPJCPPZFYJAGW-ABSDTBQOSA-N 1 1 466.916 3.330 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)[C@@H]2CCCO[C@H]12 ZINC001164799180 721552770 /nfs/dbraw/zinc/55/27/70/721552770.db2.gz BAUSTAAEPQGREE-BNDYYXHWSA-N 1 1 484.004 3.442 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)[C@@H]2CCCO[C@H]12 ZINC001164799180 721552773 /nfs/dbraw/zinc/55/27/73/721552773.db2.gz BAUSTAAEPQGREE-BNDYYXHWSA-N 1 1 484.004 3.442 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21)OCC ZINC001164800236 721555322 /nfs/dbraw/zinc/55/53/22/721555322.db2.gz DKCXYUCYFMXZQY-URVUXULASA-N 1 1 476.021 3.335 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21)OCC ZINC001164800236 721555325 /nfs/dbraw/zinc/55/53/25/721555325.db2.gz DKCXYUCYFMXZQY-URVUXULASA-N 1 1 476.021 3.335 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907172 721555818 /nfs/dbraw/zinc/55/58/18/721555818.db2.gz MJKNWPLWAMZQPD-PZJWPPBQSA-N 1 1 462.591 3.030 20 0 JGADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)CC[N@H+]3C2)c1 ZINC001164904299 721568430 /nfs/dbraw/zinc/56/84/30/721568430.db2.gz DUQRAJLORGWJFC-WBVHZDCISA-N 1 1 468.360 3.101 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1)C1CC1 ZINC001164807299 721574433 /nfs/dbraw/zinc/57/44/33/721574433.db2.gz SOBCNJPEGVTGFZ-HZLPDVBGSA-N 1 1 450.583 3.402 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)nc1 ZINC001164904512 721582162 /nfs/dbraw/zinc/58/21/62/721582162.db2.gz QVJJBVUFBHUAHU-VWNXMTODSA-N 1 1 480.657 3.491 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905728 721584406 /nfs/dbraw/zinc/58/44/06/721584406.db2.gz VQGSGKIRTWXJFP-FQEVSTJZSA-N 1 1 451.905 3.439 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)c(OC)c1 ZINC001164806185 721584609 /nfs/dbraw/zinc/58/46/09/721584609.db2.gz MEBWOEGJBXMVCA-MVERNJQCSA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)c(OC)c1 ZINC001164806185 721584612 /nfs/dbraw/zinc/58/46/12/721584612.db2.gz MEBWOEGJBXMVCA-MVERNJQCSA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c(OC)c1 ZINC001164806182 721584653 /nfs/dbraw/zinc/58/46/53/721584653.db2.gz MEBWOEGJBXMVCA-FXSPECFOSA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c(OC)c1 ZINC001164806182 721584654 /nfs/dbraw/zinc/58/46/54/721584654.db2.gz MEBWOEGJBXMVCA-FXSPECFOSA-N 1 1 461.566 3.424 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164810926 721586492 /nfs/dbraw/zinc/58/64/92/721586492.db2.gz WRSGQKZUSUKHDY-STROYTFGSA-N 1 1 486.620 3.243 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164810926 721586494 /nfs/dbraw/zinc/58/64/94/721586494.db2.gz WRSGQKZUSUKHDY-STROYTFGSA-N 1 1 486.620 3.243 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c(OC)c1OC ZINC001164805079 721586513 /nfs/dbraw/zinc/58/65/13/721586513.db2.gz KOVHRRGUCLKTIH-AOJNWGRGSA-N 1 1 491.592 3.433 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c(OC)c1OC ZINC001164805079 721586515 /nfs/dbraw/zinc/58/65/15/721586515.db2.gz KOVHRRGUCLKTIH-AOJNWGRGSA-N 1 1 491.592 3.433 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164810930 721586560 /nfs/dbraw/zinc/58/65/60/721586560.db2.gz WRSGQKZUSUKHDY-ZRRKCSAHSA-N 1 1 486.620 3.243 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164810930 721586562 /nfs/dbraw/zinc/58/65/62/721586562.db2.gz WRSGQKZUSUKHDY-ZRRKCSAHSA-N 1 1 486.620 3.243 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)c(OC)c1OC ZINC001164805085 721586662 /nfs/dbraw/zinc/58/66/62/721586662.db2.gz KOVHRRGUCLKTIH-TVZXLZGTSA-N 1 1 491.592 3.433 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)c(OC)c1OC ZINC001164805085 721586666 /nfs/dbraw/zinc/58/66/66/721586666.db2.gz KOVHRRGUCLKTIH-TVZXLZGTSA-N 1 1 491.592 3.433 20 0 JGADMO CC(C)NC(=O)C[C@@H]1CC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)Oc2ccccc21 ZINC001164801660 721593601 /nfs/dbraw/zinc/59/36/01/721593601.db2.gz RWCFNVAIQYKBEY-OAQYLSRUSA-N 1 1 478.641 3.048 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)nc1 ZINC001164797351 721594509 /nfs/dbraw/zinc/59/45/09/721594509.db2.gz GIXJCICRKAVXIE-XUZZJYLKSA-N 1 1 456.612 3.329 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906976 721700802 /nfs/dbraw/zinc/70/08/02/721700802.db2.gz PVEWBIHWDQEGCS-HXUWFJFHSA-N 1 1 451.905 3.439 20 0 JGADMO CC(C)C(=O)N1CCC[C@@]12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001165009823 721725811 /nfs/dbraw/zinc/72/58/11/721725811.db2.gz ZODJLHNTHLLUQM-DCFHFQCYSA-N 1 1 485.673 3.108 20 0 JGADMO CC1(C)NC(=O)N(Cc2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)C1=O ZINC001164912200 721726689 /nfs/dbraw/zinc/72/66/89/721726689.db2.gz MQQQNWBBONRRPE-DEOSSOPVSA-N 1 1 484.551 3.045 20 0 JGADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CC1 ZINC001165010885 721742329 /nfs/dbraw/zinc/74/23/29/721742329.db2.gz QKZGGINLCDYMMW-UHFFFAOYSA-N 1 1 453.921 3.231 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)C2 ZINC001164910499 721761714 /nfs/dbraw/zinc/76/17/14/721761714.db2.gz HGXHAXLEUOVSOB-UHFFFAOYSA-N 1 1 481.984 3.390 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)C2 ZINC001164910499 721761719 /nfs/dbraw/zinc/76/17/19/721761719.db2.gz HGXHAXLEUOVSOB-UHFFFAOYSA-N 1 1 481.984 3.390 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)C2 ZINC001164909464 721762313 /nfs/dbraw/zinc/76/23/13/721762313.db2.gz AJSPSCYQGCKSOO-UHFFFAOYSA-N 1 1 474.565 3.095 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)C2 ZINC001164909464 721762315 /nfs/dbraw/zinc/76/23/15/721762315.db2.gz AJSPSCYQGCKSOO-UHFFFAOYSA-N 1 1 474.565 3.095 20 0 JGADMO Clc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(-c2ccccc2)nn1 ZINC001164915637 721782958 /nfs/dbraw/zinc/78/29/58/721782958.db2.gz MHYFSBJZYADOKN-DEOSSOPVSA-N 1 1 451.958 3.300 20 0 JGADMO Clc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(-c2ccccc2)nn1 ZINC001164915637 721782959 /nfs/dbraw/zinc/78/29/59/721782959.db2.gz MHYFSBJZYADOKN-DEOSSOPVSA-N 1 1 451.958 3.300 20 0 JGADMO COc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2cc(Cl)ccc12 ZINC001164916702 721783103 /nfs/dbraw/zinc/78/31/03/721783103.db2.gz SPAFSPQAQLGYFC-XMMPIXPASA-N 1 1 454.958 3.400 20 0 JGADMO COc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2cc(Cl)ccc12 ZINC001164916702 721783105 /nfs/dbraw/zinc/78/31/05/721783105.db2.gz SPAFSPQAQLGYFC-XMMPIXPASA-N 1 1 454.958 3.400 20 0 JGADMO Clc1ncc(-c2ccccc2)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916656 721784252 /nfs/dbraw/zinc/78/42/52/721784252.db2.gz RVVPXVAIQANDFE-XMMPIXPASA-N 1 1 451.958 3.300 20 0 JGADMO Clc1ncc(-c2ccccc2)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916656 721784253 /nfs/dbraw/zinc/78/42/53/721784253.db2.gz RVVPXVAIQANDFE-XMMPIXPASA-N 1 1 451.958 3.300 20 0 JGADMO c1ccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)nc1 ZINC001164914166 721794222 /nfs/dbraw/zinc/79/42/22/721794222.db2.gz KITZYPDOGFQPFL-HHHXNRCGSA-N 1 1 468.561 3.195 20 0 JGADMO c1ccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)nc1 ZINC001164914166 721794224 /nfs/dbraw/zinc/79/42/24/721794224.db2.gz KITZYPDOGFQPFL-HHHXNRCGSA-N 1 1 468.561 3.195 20 0 JGADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]32)cc1 ZINC001165024366 721794967 /nfs/dbraw/zinc/79/49/67/721794967.db2.gz SJIVRPRFCUWDDK-RRPNLBNLSA-N 1 1 484.600 3.265 20 0 JGADMO CCOC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)CC1 ZINC001165026450 721818063 /nfs/dbraw/zinc/81/80/63/721818063.db2.gz QMCLIIMGXSOYDO-QTJGBDASSA-N 1 1 478.641 3.388 20 0 JGADMO COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001165021301 721823205 /nfs/dbraw/zinc/82/32/05/721823205.db2.gz DUFVIYRRWGMEOU-NNWRFLSQSA-N 1 1 451.619 3.393 20 0 JGADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)cc2C(N)=O)CC1 ZINC001165021198 721842926 /nfs/dbraw/zinc/84/29/26/721842926.db2.gz HKJSKOPZLUBOST-UHFFFAOYSA-N 1 1 468.932 3.497 20 0 JGADMO COc1cc(OC)nc(CN2CCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)CC2)n1 ZINC001165030754 721850206 /nfs/dbraw/zinc/85/02/06/721850206.db2.gz VSIGPYOMFGKRTE-UHFFFAOYSA-N 1 1 483.642 3.033 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933916 721880126 /nfs/dbraw/zinc/88/01/26/721880126.db2.gz OSTFUGBGNZBYRB-PMACEKPBSA-N 1 1 454.688 3.381 20 0 JGADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933916 721880127 /nfs/dbraw/zinc/88/01/27/721880127.db2.gz OSTFUGBGNZBYRB-PMACEKPBSA-N 1 1 454.688 3.381 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1C(=O)OCC ZINC001164940457 721923465 /nfs/dbraw/zinc/92/34/65/721923465.db2.gz QYWJCZXGANYGNK-UHFFFAOYSA-N 1 1 482.581 3.010 20 0 JGADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940467 721926810 /nfs/dbraw/zinc/92/68/10/721926810.db2.gz RAGIWAYPVQKQGR-UHFFFAOYSA-N 1 1 458.990 3.415 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)CC3)C2)cc1 ZINC001164938643 721931425 /nfs/dbraw/zinc/93/14/25/721931425.db2.gz CETRBGMBBPZXBA-UHFFFAOYSA-N 1 1 484.666 3.436 20 0 JGADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164945225 721941428 /nfs/dbraw/zinc/94/14/28/721941428.db2.gz TWWJDQWMXCGKSR-UIOOFZCWSA-N 1 1 459.594 3.334 20 0 JGADMO C[NH+]1CCN(Cc2cc3nc(N4CCCC[C@H]4c4cccnc4)nc(N4CCOCC4)c3s2)CC1 ZINC001165046001 721963669 /nfs/dbraw/zinc/96/36/69/721963669.db2.gz GJTZIMIMRVUVSJ-QHCPKHFHSA-N 1 1 493.681 3.402 20 0 JGADMO O=C1NCCN(Cc2ccccc2)C12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164945896 721973211 /nfs/dbraw/zinc/97/32/11/721973211.db2.gz UMGRFUAOVJPGRA-UHFFFAOYSA-N 1 1 482.632 3.006 20 0 JGADMO O=C1NCCN(Cc2ccccc2)C12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164945896 721973213 /nfs/dbraw/zinc/97/32/13/721973213.db2.gz UMGRFUAOVJPGRA-UHFFFAOYSA-N 1 1 482.632 3.006 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948288 721974427 /nfs/dbraw/zinc/97/44/27/721974427.db2.gz WZVGXIDBQDHDJA-UHFFFAOYSA-N 1 1 479.968 3.041 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948288 721974429 /nfs/dbraw/zinc/97/44/29/721974429.db2.gz WZVGXIDBQDHDJA-UHFFFAOYSA-N 1 1 479.968 3.041 20 0 JGADMO O=C1NCCN(Cc2ccccc2)C12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164947748 721974841 /nfs/dbraw/zinc/97/48/41/721974841.db2.gz SKDYXRZKIDIQAC-UHFFFAOYSA-N 1 1 454.018 3.302 20 0 JGADMO CCOC(=O)c1cc2c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)[nH]c(C)c(C)c-2n1 ZINC001164947284 721975872 /nfs/dbraw/zinc/97/58/72/721975872.db2.gz OQCJQBGXARIFJV-UHFFFAOYSA-N 1 1 475.593 3.327 20 0 JGADMO CCOC(=O)c1cc2c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)[nH]c(C)c(C)c-2n1 ZINC001164947284 721975875 /nfs/dbraw/zinc/97/58/75/721975875.db2.gz OQCJQBGXARIFJV-UHFFFAOYSA-N 1 1 475.593 3.327 20 0 JGADMO CC(C)(C)OC(=O)[C@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)C1 ZINC001165051293 721993209 /nfs/dbraw/zinc/99/32/09/721993209.db2.gz GVZVYMJHMIHNDV-MOPGFXCFSA-N 1 1 474.646 3.439 20 0 JGADMO CC(C)(C)OC(=O)[C@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)C1 ZINC001165051293 721993212 /nfs/dbraw/zinc/99/32/12/721993212.db2.gz GVZVYMJHMIHNDV-MOPGFXCFSA-N 1 1 474.646 3.439 20 0 JGADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164952752 721999895 /nfs/dbraw/zinc/99/98/95/721999895.db2.gz UOWWKEASGLZUIN-VTZPFEBOSA-N 1 1 475.618 3.263 20 0 JGADMO Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164960608 722028622 /nfs/dbraw/zinc/02/86/22/722028622.db2.gz LIRBWXWZGHTHJB-VXNXHJTFSA-N 1 1 461.541 3.384 20 0 JGADMO Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164960608 722028624 /nfs/dbraw/zinc/02/86/24/722028624.db2.gz LIRBWXWZGHTHJB-VXNXHJTFSA-N 1 1 461.541 3.384 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)nc1 ZINC001164958307 722045849 /nfs/dbraw/zinc/04/58/49/722045849.db2.gz MQYRQZCPQDOQET-XZOQPEGZSA-N 1 1 456.631 3.253 20 0 JGADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2)C1 ZINC001164963292 722059090 /nfs/dbraw/zinc/05/90/90/722059090.db2.gz VRHQVVGLIJPCBQ-QFIPXVFZSA-N 1 1 463.626 3.468 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164963331 722060508 /nfs/dbraw/zinc/06/05/08/722060508.db2.gz WSQZEUYEIOJTPQ-UHFFFAOYSA-N 1 1 487.670 3.063 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@@H]32)n1 ZINC001164979364 722093426 /nfs/dbraw/zinc/09/34/26/722093426.db2.gz JTOJBUYNSFPDKX-WFXMLNOXSA-N 1 1 497.669 3.050 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5CN(c6cnn(C)c6)C(=O)[C@H]5C4)c23)C1 ZINC001164980124 722095645 /nfs/dbraw/zinc/09/56/45/722095645.db2.gz LMTGLYNREIKZDL-HLIPFELVSA-N 1 1 491.665 3.245 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164983496 722099911 /nfs/dbraw/zinc/09/99/11/722099911.db2.gz QMDXMSCYGMIQJT-RBUKOAKNSA-N 1 1 467.595 3.299 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164978308 722102946 /nfs/dbraw/zinc/10/29/46/722102946.db2.gz GRHHOOUZRPOBCI-GHTZIAJQSA-N 1 1 467.957 3.192 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975467 722105283 /nfs/dbraw/zinc/10/52/83/722105283.db2.gz BVFQBGISJRPBFR-RBUKOAKNSA-N 1 1 478.975 3.397 20 0 JGADMO c1ccc(CN2CCc3c(ncnc3N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970872 722112415 /nfs/dbraw/zinc/11/24/15/722112415.db2.gz AFMHEMQHVIOLKR-SHQCIBLASA-N 1 1 470.621 3.157 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164971015 722113893 /nfs/dbraw/zinc/11/38/93/722113893.db2.gz BBTXJQSFLSRJRE-LPHOPBHVSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983153 722113952 /nfs/dbraw/zinc/11/39/52/722113952.db2.gz YKAQGVYVQJBOAW-SJLPKXTDSA-N 1 1 466.916 3.189 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979026 722117282 /nfs/dbraw/zinc/11/72/82/722117282.db2.gz OSDDOXSLONZKCI-SJORKVTESA-N 1 1 478.018 3.151 20 0 JGADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979775 722118933 /nfs/dbraw/zinc/11/89/33/722118933.db2.gz PVOMIGYYVKBVKO-UNMCSNQZSA-N 1 1 478.597 3.100 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978382 722119388 /nfs/dbraw/zinc/11/93/88/722119388.db2.gz ONIZIOFMVHXTIR-GHTZIAJQSA-N 1 1 467.957 3.192 20 0 JGADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971892 722124824 /nfs/dbraw/zinc/12/48/24/722124824.db2.gz DCDPEDQXYPPSCR-QUCCMNQESA-N 1 1 458.006 3.386 20 0 JGADMO COC(=O)c1cc2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164980308 722132662 /nfs/dbraw/zinc/13/26/62/722132662.db2.gz MQSAXXMBHMPXHG-UZLBHIALSA-N 1 1 455.946 3.125 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ccc-3c2=O)cc1 ZINC001164983803 722137819 /nfs/dbraw/zinc/13/78/19/722137819.db2.gz VDEXBHQBJVWPRH-HOFKKMOUSA-N 1 1 499.615 3.369 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@H]3C2)c1 ZINC001164980317 722142128 /nfs/dbraw/zinc/14/21/28/722142128.db2.gz MTBJYWWUORWHFM-OFVILXPXSA-N 1 1 459.550 3.037 20 0 JGADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983817 722146661 /nfs/dbraw/zinc/14/66/61/722146661.db2.gz VJPXHQKCMRKGSP-LZJOCLMNSA-N 1 1 471.911 3.058 20 0 JGADMO COC(=O)c1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc2c1OC ZINC001164976010 722148731 /nfs/dbraw/zinc/14/87/31/722148731.db2.gz GFSMCYXVHUAWQX-UGKGYDQZSA-N 1 1 462.550 3.152 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994803 722203602 /nfs/dbraw/zinc/20/36/02/722203602.db2.gz IHSUYBGSJNNOOS-HSZRJFAPSA-N 1 1 472.952 3.427 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4cc(OCc5ccccc5)ccc42)CC3)CC1 ZINC001165001921 722239475 /nfs/dbraw/zinc/23/94/75/722239475.db2.gz OYDCOJDCFMGFTJ-UHFFFAOYSA-N 1 1 481.604 3.356 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)nc1 ZINC001165006054 722244615 /nfs/dbraw/zinc/24/46/15/722244615.db2.gz WXXXCQZNLCKEOT-WMTXJRDZSA-N 1 1 451.615 3.335 20 0 JGADMO O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CCO2 ZINC001165000638 722249425 /nfs/dbraw/zinc/24/94/25/722249425.db2.gz IEOJJWFHMQBSHF-MHZLTWQESA-N 1 1 473.577 3.140 20 0 JGADMO O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001165000638 722249430 /nfs/dbraw/zinc/24/94/30/722249430.db2.gz IEOJJWFHMQBSHF-MHZLTWQESA-N 1 1 473.577 3.140 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305795178 1069314160 /nfs/dbraw/zinc/31/41/60/1069314160.db2.gz OTALACNOGMICGI-IMSXRSKXSA-N 1 1 498.672 3.274 20 0 JGADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)OC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001305804614 1069330166 /nfs/dbraw/zinc/33/01/66/1069330166.db2.gz UMFXORXOHLXXEC-UGKGYDQZSA-N 1 1 468.646 3.257 20 0 JGADMO CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)Oc1ccccc1F ZINC001305806441 1069334246 /nfs/dbraw/zinc/33/42/46/1069334246.db2.gz PKYTYQJGVDDAAV-MOPGFXCFSA-N 1 1 481.576 3.453 20 0 JGADMO CC[C@@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001305807724 1069336390 /nfs/dbraw/zinc/33/63/90/1069336390.db2.gz SLXABOXRNIIROT-IYWMVGAKSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001305808185 1069337403 /nfs/dbraw/zinc/33/74/03/1069337403.db2.gz JFYSTTGWZWGPLC-WOJBJXKFSA-N 1 1 476.691 3.393 20 0 JGADMO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)OC ZINC001305811771 1069342091 /nfs/dbraw/zinc/34/20/91/1069342091.db2.gz RUBQBWZRGVZCQO-BFYDXBDKSA-N 1 1 453.429 3.390 20 0 JGADMO CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001305822728 1069358755 /nfs/dbraw/zinc/35/87/55/1069358755.db2.gz YXEFIELWBQDSGY-RBUKOAKNSA-N 1 1 457.623 3.261 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CCOC)CC1)OC ZINC001305824856 1069363091 /nfs/dbraw/zinc/36/30/91/1069363091.db2.gz XFLFTPWMJSNJKE-MRXNPFEDSA-N 1 1 470.387 3.040 20 0 JGADMO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305825686 1069364290 /nfs/dbraw/zinc/36/42/90/1069364290.db2.gz BPVGDUTVRDMFEK-NHCUHLMSSA-N 1 1 499.660 3.110 20 0 JGADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305841078 1069388893 /nfs/dbraw/zinc/38/88/93/1069388893.db2.gz HILGFIPLFWUGJO-TYPHKJRUSA-N 1 1 469.634 3.240 20 0 JGADMO CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001305844267 1069393926 /nfs/dbraw/zinc/39/39/26/1069393926.db2.gz ILEIKHZUIQMALQ-HSZRJFAPSA-N 1 1 482.673 3.489 20 0 JGADMO CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305846002 1069395804 /nfs/dbraw/zinc/39/58/04/1069395804.db2.gz PPWATMIJGZIRDW-NHCUHLMSSA-N 1 1 478.037 3.197 20 0 JGADMO CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305846002 1069395807 /nfs/dbraw/zinc/39/58/07/1069395807.db2.gz PPWATMIJGZIRDW-NHCUHLMSSA-N 1 1 478.037 3.197 20 0 JGADMO CC[C@@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCOC(C)C)CC2)O1 ZINC001305860921 1069417303 /nfs/dbraw/zinc/41/73/03/1069417303.db2.gz PHUCPNAHDHGOOW-RDGATRHJSA-N 1 1 456.635 3.159 20 0 JGADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001305871305 1069425658 /nfs/dbraw/zinc/42/56/58/1069425658.db2.gz WQQPUJDXCZRIBB-DFBJGRDBSA-N 1 1 457.619 3.436 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001305879861 1069432611 /nfs/dbraw/zinc/43/26/11/1069432611.db2.gz BDKHGFJOCVRUFU-VWLOTQADSA-N 1 1 489.686 3.476 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001305881176 1069434208 /nfs/dbraw/zinc/43/42/08/1069434208.db2.gz JRSNUBCJEKWQOD-HOFKKMOUSA-N 1 1 498.672 3.389 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001305881458 1069434735 /nfs/dbraw/zinc/43/47/35/1069434735.db2.gz KFGGYHDGJJYPFL-QHCPKHFHSA-N 1 1 463.648 3.084 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+](C)CCOC)CCO1 ZINC001305883070 1069436420 /nfs/dbraw/zinc/43/64/20/1069436420.db2.gz SDPLWQWDTFTLSX-QFIPXVFZSA-N 1 1 451.999 3.191 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001305886451 1069441964 /nfs/dbraw/zinc/44/19/64/1069441964.db2.gz QXDHGAZRBZYEOA-JOCHJYFZSA-N 1 1 495.466 3.162 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001305886451 1069441976 /nfs/dbraw/zinc/44/19/76/1069441976.db2.gz QXDHGAZRBZYEOA-JOCHJYFZSA-N 1 1 495.466 3.162 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001305887453 1069444197 /nfs/dbraw/zinc/44/41/97/1069444197.db2.gz PTHWDQCBWYFKAP-GJZUVCINSA-N 1 1 468.646 3.202 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001305893690 1069451046 /nfs/dbraw/zinc/45/10/46/1069451046.db2.gz OFIRSBOYIKCEQH-PXDATVDWSA-N 1 1 463.667 3.304 20 0 JGADMO CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001305895306 1069452989 /nfs/dbraw/zinc/45/29/89/1069452989.db2.gz HFINLUAYYISATP-UHFFFAOYSA-N 1 1 474.675 3.397 20 0 JGADMO CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001305895306 1069452991 /nfs/dbraw/zinc/45/29/91/1069452991.db2.gz HFINLUAYYISATP-UHFFFAOYSA-N 1 1 474.675 3.397 20 0 JGADMO CCC1(CC)CN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001305897432 1069454490 /nfs/dbraw/zinc/45/44/90/1069454490.db2.gz CGUKZRGVMFRRND-HSZRJFAPSA-N 1 1 459.660 3.078 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](CC)C2)[NH+](C)C)cc1 ZINC001305919252 1069474785 /nfs/dbraw/zinc/47/47/85/1069474785.db2.gz OBJRSTXXHXNDJB-NNWRFLSQSA-N 1 1 459.660 3.282 20 0 JGADMO CCc1ccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305920808 1069476305 /nfs/dbraw/zinc/47/63/05/1069476305.db2.gz URHZJMONJHYBHN-DHIUTWEWSA-N 1 1 473.687 3.499 20 0 JGADMO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298221566 1064135664 /nfs/dbraw/zinc/13/56/64/1064135664.db2.gz IOMFFGGYPXVVSA-UHFFFAOYSA-N 1 1 498.031 3.103 20 0 JGADMO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298221566 1064135669 /nfs/dbraw/zinc/13/56/69/1064135669.db2.gz IOMFFGGYPXVVSA-UHFFFAOYSA-N 1 1 498.031 3.103 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1CCCN1CCCCC1=O ZINC001298234948 1064140813 /nfs/dbraw/zinc/14/08/13/1064140813.db2.gz BXASDJSFNCGZIG-UHFFFAOYSA-N 1 1 486.636 3.281 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1Cc1cccc(N2CCOCC2)c1 ZINC001298235550 1064141442 /nfs/dbraw/zinc/14/14/42/1064141442.db2.gz IHJGXRMSHLSIEZ-UHFFFAOYSA-N 1 1 484.689 3.255 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCOC1CCCCCC1 ZINC001298236393 1064142064 /nfs/dbraw/zinc/14/20/64/1064142064.db2.gz UZKSNDPYZZOWDW-UHFFFAOYSA-N 1 1 490.693 3.048 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@H]1CC(F)(F)CO1 ZINC001298236306 1064142272 /nfs/dbraw/zinc/14/22/72/1064142272.db2.gz QMQNQAZZTUHOJJ-QGZVFWFLSA-N 1 1 467.536 3.303 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)cc1 ZINC001298240258 1064145501 /nfs/dbraw/zinc/14/55/01/1064145501.db2.gz PHISJXWYUBHJJO-NRFANRHFSA-N 1 1 459.610 3.349 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C2CCCC2)n1CCNC(=O)c1cccs1 ZINC001298240557 1064146042 /nfs/dbraw/zinc/14/60/42/1064146042.db2.gz SXQQAAHTRYAQDV-UHFFFAOYSA-N 1 1 474.675 3.222 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC=CCO1 ZINC001298240482 1064146058 /nfs/dbraw/zinc/14/60/58/1064146058.db2.gz RJOHMHDPVYZHRP-QFIPXVFZSA-N 1 1 457.594 3.148 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCCC1 ZINC001298240472 1064146157 /nfs/dbraw/zinc/14/61/57/1064146157.db2.gz RGZNGWLQNKCUDW-UHFFFAOYSA-N 1 1 473.637 3.498 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001298240787 1064146674 /nfs/dbraw/zinc/14/66/74/1064146674.db2.gz WXHCVTBIZNFTNA-DFBJGRDBSA-N 1 1 492.064 3.138 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001298250506 1064150238 /nfs/dbraw/zinc/15/02/38/1064150238.db2.gz YCCKVECNRKPBQJ-KEYYUXOJSA-N 1 1 456.538 3.372 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298270539 1064162748 /nfs/dbraw/zinc/16/27/48/1064162748.db2.gz HUBJMEXYTYVTTB-IBGZPJMESA-N 1 1 462.589 3.113 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298270539 1064162755 /nfs/dbraw/zinc/16/27/55/1064162755.db2.gz HUBJMEXYTYVTTB-IBGZPJMESA-N 1 1 462.589 3.113 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298270539 1064162761 /nfs/dbraw/zinc/16/27/61/1064162761.db2.gz HUBJMEXYTYVTTB-IBGZPJMESA-N 1 1 462.589 3.113 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298274831 1064165619 /nfs/dbraw/zinc/16/56/19/1064165619.db2.gz NIYUVSSLSNBIOD-UHFFFAOYSA-N 1 1 488.434 3.188 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298274831 1064165623 /nfs/dbraw/zinc/16/56/23/1064165623.db2.gz NIYUVSSLSNBIOD-UHFFFAOYSA-N 1 1 488.434 3.188 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298282756 1064169879 /nfs/dbraw/zinc/16/98/79/1064169879.db2.gz XHPTYANSRRQLEW-OAHLLOKOSA-N 1 1 463.380 3.112 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298305710 1064185498 /nfs/dbraw/zinc/18/54/98/1064185498.db2.gz XFFKOXTXYWRRLJ-FQEVSTJZSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298306155 1064185891 /nfs/dbraw/zinc/18/58/91/1064185891.db2.gz ZGZCWKDHRZZIIC-FQEVSTJZSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298306156 1064185906 /nfs/dbraw/zinc/18/59/06/1064185906.db2.gz ZGZCWKDHRZZIIC-HXUWFJFHSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc(F)cc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298312305 1064188017 /nfs/dbraw/zinc/18/80/17/1064188017.db2.gz IQFWNOSIJXIFFQ-OAQYLSRUSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc(F)cc1F)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298313289 1064188575 /nfs/dbraw/zinc/18/85/75/1064188575.db2.gz RTHHOOQAWHYMBG-OAQYLSRUSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@H]2CCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298317366 1064193031 /nfs/dbraw/zinc/19/30/31/1064193031.db2.gz RQMIRSHMNXIXMI-FQEVSTJZSA-N 1 1 475.659 3.086 20 0 JGADMO C[C@H]1CN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CC[N@H+](C2CCC2)C1 ZINC001298318773 1064194029 /nfs/dbraw/zinc/19/40/29/1064194029.db2.gz ZDMQGBCDKKQKRW-GOSISDBHSA-N 1 1 455.603 3.394 20 0 JGADMO CN(Cc1cccc(Br)c1)c1nnc(-c2cnccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298325374 1064201058 /nfs/dbraw/zinc/20/10/58/1064201058.db2.gz IXAZGFDUAXMGET-UHFFFAOYSA-N 1 1 499.461 3.160 20 0 JGADMO CN(Cc1cccc(Br)c1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298325374 1064201062 /nfs/dbraw/zinc/20/10/62/1064201062.db2.gz IXAZGFDUAXMGET-UHFFFAOYSA-N 1 1 499.461 3.160 20 0 JGADMO CN(Cc1cccc(Br)c1)c1nnc(-c2cnccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298325374 1064201068 /nfs/dbraw/zinc/20/10/68/1064201068.db2.gz IXAZGFDUAXMGET-UHFFFAOYSA-N 1 1 499.461 3.160 20 0 JGADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CO)Cc2ccccc21 ZINC001298335461 1064207819 /nfs/dbraw/zinc/20/78/19/1064207819.db2.gz YXHQAZJQTHVNRC-IRLDBZIGSA-N 1 1 453.583 3.210 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)C1 ZINC001298349235 1064213233 /nfs/dbraw/zinc/21/32/33/1064213233.db2.gz BITHMWUUTZVYRS-YADHBBJMSA-N 1 1 468.646 3.045 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC(C)(C)C)C1 ZINC001298349286 1064213424 /nfs/dbraw/zinc/21/34/24/1064213424.db2.gz BYPKKPNKMCWXPE-OAQYLSRUSA-N 1 1 461.614 3.356 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001298350983 1064214584 /nfs/dbraw/zinc/21/45/84/1064214584.db2.gz PBYLHQGBNFNKET-HSZRJFAPSA-N 1 1 491.640 3.499 20 0 JGADMO CN(Cc1ccccc1N1CCOCC1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298359338 1064218732 /nfs/dbraw/zinc/21/87/32/1064218732.db2.gz LILYQMFVDRVXBM-UHFFFAOYSA-N 1 1 470.662 3.159 20 0 JGADMO CN(Cc1ccccc1N1CCOCC1)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001298359338 1064218740 /nfs/dbraw/zinc/21/87/40/1064218740.db2.gz LILYQMFVDRVXBM-UHFFFAOYSA-N 1 1 470.662 3.159 20 0 JGADMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC001298378618 1064225764 /nfs/dbraw/zinc/22/57/64/1064225764.db2.gz LWKULMREXVMRNH-GCJKJVERSA-N 1 1 457.596 3.069 20 0 JGADMO CN(Cc1cnn(C)c1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298392183 1064230252 /nfs/dbraw/zinc/23/02/52/1064230252.db2.gz PKMVPSMOLHBHLV-OAQYLSRUSA-N 1 1 458.010 3.205 20 0 JGADMO CN(Cc1ccoc1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298416581 1064242662 /nfs/dbraw/zinc/24/26/62/1064242662.db2.gz LXMVMYZYLRQFIN-UHFFFAOYSA-N 1 1 477.407 3.386 20 0 JGADMO CN(Cc1ccoc1)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001298416581 1064242669 /nfs/dbraw/zinc/24/26/69/1064242669.db2.gz LXMVMYZYLRQFIN-UHFFFAOYSA-N 1 1 477.407 3.386 20 0 JGADMO CN(Cc1ccoc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298420920 1064244582 /nfs/dbraw/zinc/24/45/82/1064244582.db2.gz HHIMORZLKXPITC-BGYRXZFFSA-N 1 1 488.633 3.389 20 0 JGADMO CN(Cc1ccsc1)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1CCOCC1 ZINC001298423990 1064245563 /nfs/dbraw/zinc/24/55/63/1064245563.db2.gz CEQGNFROHJXDNR-UHFFFAOYSA-N 1 1 479.448 3.466 20 0 JGADMO CN(Cc1cscn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298434258 1064250195 /nfs/dbraw/zinc/25/01/95/1064250195.db2.gz XONXMJAHNCXDAI-QGZVFWFLSA-N 1 1 468.612 3.383 20 0 JGADMO CN(Cc1cscn1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298434313 1064250647 /nfs/dbraw/zinc/25/06/47/1064250647.db2.gz YFPGFVFCFTVUHO-UHFFFAOYSA-N 1 1 454.604 3.140 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccncc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298449084 1064257053 /nfs/dbraw/zinc/25/70/53/1064257053.db2.gz BLABLZJSWKXYIK-GOSISDBHSA-N 1 1 457.026 3.408 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001298463383 1064265362 /nfs/dbraw/zinc/26/53/62/1064265362.db2.gz WSZJZUOGKRJGJU-MAUKXSAKSA-N 1 1 494.978 3.231 20 0 JGADMO CN(CC1CC(F)C1)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298481501 1064274009 /nfs/dbraw/zinc/27/40/09/1064274009.db2.gz AGUYKFZBTUYGKH-UHFFFAOYSA-N 1 1 483.430 3.341 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298538445 1064300435 /nfs/dbraw/zinc/30/04/35/1064300435.db2.gz ZPUUOPAPXODSLQ-RBUKOAKNSA-N 1 1 455.607 3.051 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(Cc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298546855 1064308752 /nfs/dbraw/zinc/30/87/52/1064308752.db2.gz SBRZHPMIYUMVGQ-JOCHJYFZSA-N 1 1 458.626 3.039 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(Cc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298546855 1064308761 /nfs/dbraw/zinc/30/87/61/1064308761.db2.gz SBRZHPMIYUMVGQ-JOCHJYFZSA-N 1 1 458.626 3.039 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298546855 1064308769 /nfs/dbraw/zinc/30/87/69/1064308769.db2.gz SBRZHPMIYUMVGQ-JOCHJYFZSA-N 1 1 458.626 3.039 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298569446 1064343091 /nfs/dbraw/zinc/34/30/91/1064343091.db2.gz BEUUMOKJEKLLGZ-HNNXBMFYSA-N 1 1 484.464 3.353 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCOCC1(C)C ZINC001298569446 1064343099 /nfs/dbraw/zinc/34/30/99/1064343099.db2.gz BEUUMOKJEKLLGZ-HNNXBMFYSA-N 1 1 484.464 3.353 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298570323 1064344096 /nfs/dbraw/zinc/34/40/96/1064344096.db2.gz HFONULCRWJCHEB-MRXNPFEDSA-N 1 1 496.425 3.430 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298570323 1064344112 /nfs/dbraw/zinc/34/41/12/1064344112.db2.gz HFONULCRWJCHEB-MRXNPFEDSA-N 1 1 496.425 3.430 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2cccc(Br)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298570331 1064344699 /nfs/dbraw/zinc/34/46/99/1064344699.db2.gz HKCNAHWDOWCXGR-NQIIRXRSSA-N 1 1 492.462 3.417 20 0 JGADMO CN(CCC(F)F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001298608846 1064380670 /nfs/dbraw/zinc/38/06/70/1064380670.db2.gz MKOBQLYHXKSOSA-WMZOPIPTSA-N 1 1 459.607 3.069 20 0 JGADMO CN(CCc1ccccc1F)c1nnc(Cc2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298618707 1064389654 /nfs/dbraw/zinc/38/96/54/1064389654.db2.gz PGVOVERPXVGKKW-UHFFFAOYSA-N 1 1 465.621 3.108 20 0 JGADMO CN(CCc1ccccc1F)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298618707 1064389659 /nfs/dbraw/zinc/38/96/59/1064389659.db2.gz PGVOVERPXVGKKW-UHFFFAOYSA-N 1 1 465.621 3.108 20 0 JGADMO CN(CCc1ccccc1F)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298618707 1064389665 /nfs/dbraw/zinc/38/96/65/1064389665.db2.gz PGVOVERPXVGKKW-UHFFFAOYSA-N 1 1 465.621 3.108 20 0 JGADMO CN(CCc1nccs1)c1nnc(Cc2ccsc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298638165 1064411553 /nfs/dbraw/zinc/41/15/53/1064411553.db2.gz XDKARPVJANYXOT-UHFFFAOYSA-N 1 1 459.689 3.092 20 0 JGADMO CN(CCc1nccs1)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298638165 1064411559 /nfs/dbraw/zinc/41/15/59/1064411559.db2.gz XDKARPVJANYXOT-UHFFFAOYSA-N 1 1 459.689 3.092 20 0 JGADMO CN(CCc1nccs1)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298638165 1064411563 /nfs/dbraw/zinc/41/15/63/1064411563.db2.gz XDKARPVJANYXOT-UHFFFAOYSA-N 1 1 459.689 3.092 20 0 JGADMO CN(CCC1CC1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298638918 1064413653 /nfs/dbraw/zinc/41/36/53/1064413653.db2.gz BDEBBFADPUUIFS-JOCHJYFZSA-N 1 1 490.693 3.476 20 0 JGADMO CN(CCCCCO)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@H+]1CCOCC1(C)C ZINC001298660157 1064435872 /nfs/dbraw/zinc/43/58/72/1064435872.db2.gz IPBYOPYKHVFJPA-UHFFFAOYSA-N 1 1 454.619 3.146 20 0 JGADMO C[N@@H+](CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC(C)(C)C1)C1CCCCC1 ZINC001298661391 1064437646 /nfs/dbraw/zinc/43/76/46/1064437646.db2.gz BXZDQBWZAGFKJV-UHFFFAOYSA-N 1 1 455.607 3.195 20 0 JGADMO C[N@@H+](CCCn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CCCCC1 ZINC001298666749 1064444340 /nfs/dbraw/zinc/44/43/40/1064444340.db2.gz JYPOYMIYWYWWDI-GOSISDBHSA-N 1 1 493.578 3.500 20 0 JGADMO C[N@@H+](CCCn1c([C@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC001298670902 1064454282 /nfs/dbraw/zinc/45/42/82/1064454282.db2.gz FOFFDJIPRXKJFQ-JOCHJYFZSA-N 1 1 475.659 3.055 20 0 JGADMO C[N@@H+](CCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298672261 1064456281 /nfs/dbraw/zinc/45/62/81/1064456281.db2.gz RWGGNNMSGSCRAC-IRLDBZIGSA-N 1 1 481.707 3.230 20 0 JGADMO CN(C1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)C2CCCCC2)CC1)S(C)(=O)=O ZINC001298673782 1064458075 /nfs/dbraw/zinc/45/80/75/1064458075.db2.gz CIVRVYZSJIQZDA-UHFFFAOYSA-N 1 1 482.739 3.382 20 0 JGADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c([C@H]2CCCOC2)nnc1N1CCC(F)(F)C1 ZINC001298684195 1064479385 /nfs/dbraw/zinc/47/93/85/1064479385.db2.gz TUUNZPUDGHHMGP-SFHVURJKSA-N 1 1 486.608 3.254 20 0 JGADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001298684140 1064479410 /nfs/dbraw/zinc/47/94/10/1064479410.db2.gz SFQGITSBPQNOAG-VWLOTQADSA-N 1 1 487.649 3.127 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccn2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001298692565 1064492769 /nfs/dbraw/zinc/49/27/69/1064492769.db2.gz UVUJDUDHPPTDLL-UHFFFAOYSA-N 1 1 482.654 3.048 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccn2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001298692565 1064492787 /nfs/dbraw/zinc/49/27/87/1064492787.db2.gz UVUJDUDHPPTDLL-UHFFFAOYSA-N 1 1 482.654 3.048 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298697082 1064498378 /nfs/dbraw/zinc/49/83/78/1064498378.db2.gz HYHIGTWKEWFPSE-HXUWFJFHSA-N 1 1 466.051 3.486 20 0 JGADMO CN(c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC001298697751 1064500621 /nfs/dbraw/zinc/50/06/21/1064500621.db2.gz IGHNZWZKYJWRSA-QGZVFWFLSA-N 1 1 451.413 3.146 20 0 JGADMO CN(C[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCCC2)C1)S(C)(=O)=O ZINC001298704046 1064505773 /nfs/dbraw/zinc/50/57/73/1064505773.db2.gz BKJRCGPEJPWYPG-NRFANRHFSA-N 1 1 488.702 3.317 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298704114 1064506420 /nfs/dbraw/zinc/50/64/20/1064506420.db2.gz CYUIEFJYMUYQQQ-GOSISDBHSA-N 1 1 466.051 3.486 20 0 JGADMO C[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298704679 1064508299 /nfs/dbraw/zinc/50/82/99/1064508299.db2.gz VUDUODMAPKBZBB-UHFFFAOYSA-N 1 1 479.604 3.306 20 0 JGADMO Cn1cccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001298705242 1064509646 /nfs/dbraw/zinc/50/96/46/1064509646.db2.gz RUTGDPVRESJMPB-UHFFFAOYSA-N 1 1 461.536 3.100 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(C(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001298705394 1064509965 /nfs/dbraw/zinc/50/99/65/1064509965.db2.gz GWRYSROYYFPPQL-GOSISDBHSA-N 1 1 466.483 3.199 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)C1CCCC1 ZINC001298706037 1064511419 /nfs/dbraw/zinc/51/14/19/1064511419.db2.gz OUDHFERPVIZZID-KRWDZBQOSA-N 1 1 453.513 3.157 20 0 JGADMO C[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC001298706308 1064512323 /nfs/dbraw/zinc/51/23/23/1064512323.db2.gz SDQJZUIALFURPS-SFHVURJKSA-N 1 1 458.603 3.370 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298708599 1064514225 /nfs/dbraw/zinc/51/42/25/1064514225.db2.gz MUPKTAZNQQSXQK-FQEVSTJZSA-N 1 1 460.598 3.142 20 0 JGADMO CN(CCc1cnccn1)c1nnc([C@H]2CCCCO2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298710443 1064516378 /nfs/dbraw/zinc/51/63/78/1064516378.db2.gz ZNXKWDRNGAQQET-JOCHJYFZSA-N 1 1 453.566 3.260 20 0 JGADMO C[N@@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298711792 1064517531 /nfs/dbraw/zinc/51/75/31/1064517531.db2.gz CWDOUNAGCOXZQA-LJQANCHMSA-N 1 1 495.640 3.425 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1)C1CCCCC1 ZINC001298713485 1064521969 /nfs/dbraw/zinc/52/19/69/1064521969.db2.gz SSTQQBNHXXNMSP-LJQANCHMSA-N 1 1 456.610 3.364 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298714863 1064524366 /nfs/dbraw/zinc/52/43/66/1064524366.db2.gz RUIMOBDVTYNJPH-OAQYLSRUSA-N 1 1 486.636 3.138 20 0 JGADMO CCC[N@@H+](C)CC(=O)Nc1cc(I)cc(I)c1 ZINC001298716556 1064526306 /nfs/dbraw/zinc/52/63/06/1064526306.db2.gz LHEAQIBUVGBHOE-UHFFFAOYSA-N 1 1 458.081 3.176 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001298719450 1064529351 /nfs/dbraw/zinc/52/93/51/1064529351.db2.gz AZHYIYXFMANMEK-AZUAARDMSA-N 1 1 462.639 3.498 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Br)n1CCc1cn[nH]c1 ZINC001298727136 1064535577 /nfs/dbraw/zinc/53/55/77/1064535577.db2.gz BQEHLVFXIZWNEB-UHFFFAOYSA-N 1 1 488.434 3.220 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Br)n1CCc1cn[nH]c1 ZINC001298727136 1064535590 /nfs/dbraw/zinc/53/55/90/1064535590.db2.gz BQEHLVFXIZWNEB-UHFFFAOYSA-N 1 1 488.434 3.220 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)c1ccccc1 ZINC001298727877 1064537978 /nfs/dbraw/zinc/53/79/78/1064537978.db2.gz KGWQYUXFNVILLF-UHFFFAOYSA-N 1 1 499.566 3.264 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)c1ccccc1 ZINC001298727877 1064537986 /nfs/dbraw/zinc/53/79/86/1064537986.db2.gz KGWQYUXFNVILLF-UHFFFAOYSA-N 1 1 499.566 3.264 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001298728259 1064540028 /nfs/dbraw/zinc/54/00/28/1064540028.db2.gz QAJMVGMTZKANEG-UHFFFAOYSA-N 1 1 494.562 3.128 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001298728259 1064540035 /nfs/dbraw/zinc/54/00/35/1064540035.db2.gz QAJMVGMTZKANEG-UHFFFAOYSA-N 1 1 494.562 3.128 20 0 JGADMO C[N@@H+](CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC[S@](=O)C(C)(C)C)CC1)Cc1ccccc1 ZINC001298728397 1064540917 /nfs/dbraw/zinc/54/09/17/1064540917.db2.gz SBANWHGWVVBBSY-DHUJRADRSA-N 1 1 497.713 3.074 20 0 JGADMO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298728496 1064540993 /nfs/dbraw/zinc/54/09/93/1064540993.db2.gz UQYNAROTTYZIAF-UHFFFAOYSA-N 1 1 455.651 3.152 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001298728705 1064541985 /nfs/dbraw/zinc/54/19/85/1064541985.db2.gz ZWKXJAWKSNYJID-UHFFFAOYSA-N 1 1 490.693 3.045 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001298728705 1064542001 /nfs/dbraw/zinc/54/20/01/1064542001.db2.gz ZWKXJAWKSNYJID-UHFFFAOYSA-N 1 1 490.693 3.045 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001298730112 1064544842 /nfs/dbraw/zinc/54/48/42/1064544842.db2.gz ROIQYQUUAKOKAC-UHFFFAOYSA-N 1 1 489.546 3.273 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001298730112 1064544858 /nfs/dbraw/zinc/54/48/58/1064544858.db2.gz ROIQYQUUAKOKAC-UHFFFAOYSA-N 1 1 489.546 3.273 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)s1 ZINC001298730111 1064544889 /nfs/dbraw/zinc/54/48/89/1064544889.db2.gz ROFKDRPGPCDLDE-MRXNPFEDSA-N 1 1 454.040 3.287 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)s1 ZINC001298730111 1064544904 /nfs/dbraw/zinc/54/49/04/1064544904.db2.gz ROFKDRPGPCDLDE-MRXNPFEDSA-N 1 1 454.040 3.287 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001298730354 1064545182 /nfs/dbraw/zinc/54/51/82/1064545182.db2.gz XJBXADLJLQLQSY-GOSISDBHSA-N 1 1 496.578 3.376 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001298730354 1064545197 /nfs/dbraw/zinc/54/51/97/1064545197.db2.gz XJBXADLJLQLQSY-GOSISDBHSA-N 1 1 496.578 3.376 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1CCNC(=O)c1ccccc1F ZINC001298730424 1064545920 /nfs/dbraw/zinc/54/59/20/1064545920.db2.gz ZJEBSXSFLIFPRS-UHFFFAOYSA-N 1 1 472.609 3.052 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1CCNC(=O)c1ccccc1F ZINC001298730424 1064545939 /nfs/dbraw/zinc/54/59/39/1064545939.db2.gz ZJEBSXSFLIFPRS-UHFFFAOYSA-N 1 1 472.609 3.052 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCCC1 ZINC001298730398 1064545999 /nfs/dbraw/zinc/54/59/99/1064545999.db2.gz YRKUOXIMYZPPQY-UHFFFAOYSA-N 1 1 459.610 3.250 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCCC1 ZINC001298730398 1064546015 /nfs/dbraw/zinc/54/60/15/1064546015.db2.gz YRKUOXIMYZPPQY-UHFFFAOYSA-N 1 1 459.610 3.250 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@H]1CSCCS1 ZINC001298733395 1064548977 /nfs/dbraw/zinc/54/89/77/1064548977.db2.gz OYOSGGICUJWXJH-NRFANRHFSA-N 1 1 475.728 3.459 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@H]1CSCCS1 ZINC001298733395 1064548989 /nfs/dbraw/zinc/54/89/89/1064548989.db2.gz OYOSGGICUJWXJH-NRFANRHFSA-N 1 1 475.728 3.459 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@H]1CSCCS1 ZINC001298734068 1064549960 /nfs/dbraw/zinc/54/99/60/1064549960.db2.gz XBMIIXBOJKMKGC-IBGZPJMESA-N 1 1 453.722 3.406 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@H]1CSCCS1 ZINC001298734068 1064549969 /nfs/dbraw/zinc/54/99/69/1064549969.db2.gz XBMIIXBOJKMKGC-IBGZPJMESA-N 1 1 453.722 3.406 20 0 JGADMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cc1csc(C2CCCC2)n1 ZINC001298755782 1064565406 /nfs/dbraw/zinc/56/54/06/1064565406.db2.gz GFWUVRMNHPRRPB-UHFFFAOYSA-N 1 1 454.596 3.030 20 0 JGADMO CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCCC1 ZINC001298782028 1064586148 /nfs/dbraw/zinc/58/61/48/1064586148.db2.gz KWQKBTPBTBJWAH-NZQKXSOJSA-N 1 1 456.683 3.215 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(C(C)(C)C)n1Cc1cccc(CO)c1 ZINC001298782398 1064586951 /nfs/dbraw/zinc/58/69/51/1064586951.db2.gz UGPHXZJASZWNNF-JTHBVZDNSA-N 1 1 465.646 3.369 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N(CCO)Cc2ccccc2)n1CC[N@@H+]1CC=CCC1 ZINC001298798584 1064595859 /nfs/dbraw/zinc/59/58/59/1064595859.db2.gz KOIHWROKMKKAGE-UHFFFAOYSA-N 1 1 485.430 3.307 20 0 JGADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2)CC1 ZINC001298815677 1064617503 /nfs/dbraw/zinc/61/75/03/1064617503.db2.gz IBKYFDGKBYWSPP-AREMUKBSSA-N 1 1 456.631 3.297 20 0 JGADMO Cn1cc(-c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCOCC(F)(F)C(F)F)cn1 ZINC001298817888 1064619695 /nfs/dbraw/zinc/61/96/95/1064619695.db2.gz NBEXOGFCMVFTLM-UHFFFAOYSA-N 1 1 499.488 3.057 20 0 JGADMO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N(CCN1CCOCC1)Cc1sccc1Br ZINC001298839871 1064642472 /nfs/dbraw/zinc/64/24/72/1064642472.db2.gz KJLYFPGRFLAOCI-WMZOPIPTSA-N 1 1 456.450 3.188 20 0 JGADMO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N(CCN1CCOCC1)Cc1sccc1Br ZINC001298839870 1064642479 /nfs/dbraw/zinc/64/24/79/1064642479.db2.gz KJLYFPGRFLAOCI-SJLPKXTDSA-N 1 1 456.450 3.188 20 0 JGADMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)cc1 ZINC001298845307 1064649468 /nfs/dbraw/zinc/64/94/68/1064649468.db2.gz AOLAZVSPOLGCKI-HXUWFJFHSA-N 1 1 458.628 3.239 20 0 JGADMO Cn1cccc1-c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001298861747 1064665606 /nfs/dbraw/zinc/66/56/06/1064665606.db2.gz NFCLUEKDZHZFKH-MGBGTMOVSA-N 1 1 468.671 3.196 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298877131 1064681379 /nfs/dbraw/zinc/68/13/79/1064681379.db2.gz BZUBHNTZGQJJIZ-IDISGSTGSA-N 1 1 498.672 3.413 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001298877790 1064683167 /nfs/dbraw/zinc/68/31/67/1064683167.db2.gz IPDWCWUHBNZOFR-JOCHJYFZSA-N 1 1 451.974 3.198 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001298878754 1064684161 /nfs/dbraw/zinc/68/41/61/1064684161.db2.gz LXCNDQCBHXCLGY-ZEQRLZLVSA-N 1 1 479.572 3.255 20 0 JGADMO CN(OC1CCCC1)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298878790 1064684247 /nfs/dbraw/zinc/68/42/47/1064684247.db2.gz MLMNRXIPDSNRIV-FQEVSTJZSA-N 1 1 450.381 3.085 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298880303 1064685936 /nfs/dbraw/zinc/68/59/36/1064685936.db2.gz UVADJKKFRYBWJW-QFIPXVFZSA-N 1 1 477.396 3.229 20 0 JGADMO CN(c1nnc(CC2CC2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@H](CF)c1ccc(Br)cc1 ZINC001298881466 1064687438 /nfs/dbraw/zinc/68/74/38/1064687438.db2.gz FZQLQBXZMGQAKY-NQIIRXRSSA-N 1 1 466.399 3.207 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC001298882268 1064689328 /nfs/dbraw/zinc/68/93/28/1064689328.db2.gz TVYMHPIROAINOS-CVDCTZTESA-N 1 1 492.462 3.274 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001298882270 1064689384 /nfs/dbraw/zinc/68/93/84/1064689384.db2.gz TVYMHPIROAINOS-XXBNENTESA-N 1 1 492.462 3.274 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001298885750 1064691976 /nfs/dbraw/zinc/69/19/76/1064691976.db2.gz BSAJXEHQXHBQIQ-LJQANCHMSA-N 1 1 497.585 3.407 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001298885661 1064692147 /nfs/dbraw/zinc/69/21/47/1064692147.db2.gz APHOIHFUQJWXPJ-KSZLIROESA-N 1 1 486.583 3.145 20 0 JGADMO C[C@H]1[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@H+]1Cc1ccccc1 ZINC001298885982 1064692750 /nfs/dbraw/zinc/69/27/50/1064692750.db2.gz HQRVTAGCLTWCGG-HOCLYGCPSA-N 1 1 450.402 3.362 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001298886174 1064693033 /nfs/dbraw/zinc/69/30/33/1064693033.db2.gz NOTMSUAMRYZMGD-APWZRJJASA-N 1 1 466.051 3.342 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886367 1064693896 /nfs/dbraw/zinc/69/38/96/1064693896.db2.gz GCWZHOXUITZVFK-DLBZAZTESA-N 1 1 457.541 3.250 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298886735 1064694836 /nfs/dbraw/zinc/69/48/36/1064694836.db2.gz RUKXTFLAUUULHL-WSCWJOSJSA-N 1 1 463.573 3.178 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001298886773 1064695011 /nfs/dbraw/zinc/69/50/11/1064695011.db2.gz GMZWQIJLNKLZSM-QGZVFWFLSA-N 1 1 473.691 3.121 20 0 JGADMO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001298887355 1064695946 /nfs/dbraw/zinc/69/59/46/1064695946.db2.gz ISMQRWDWJQZKJB-ZWKOTPCHSA-N 1 1 491.624 3.469 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001298887355 1064695950 /nfs/dbraw/zinc/69/59/50/1064695950.db2.gz ISMQRWDWJQZKJB-ZWKOTPCHSA-N 1 1 491.624 3.469 20 0 JGADMO CN(CCCOCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298888000 1064697404 /nfs/dbraw/zinc/69/74/04/1064697404.db2.gz ZMPWQHQGSVJALG-NOTUOJBMSA-N 1 1 485.673 3.306 20 0 JGADMO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCSC1 ZINC001298889968 1064699427 /nfs/dbraw/zinc/69/94/27/1064699427.db2.gz XNZLWVDWXZEEEA-FUHWJXTLSA-N 1 1 462.689 3.332 20 0 JGADMO C[N@H+]1CCN(CCn2c(C3CCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1(C)C ZINC001298896092 1064702525 /nfs/dbraw/zinc/70/25/25/1064702525.db2.gz FPGIUMIWWMBYDK-QFIPXVFZSA-N 1 1 472.600 3.101 20 0 JGADMO CN1CC[N@H+](CCn2c(C3CCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1(C)C ZINC001298896092 1064702532 /nfs/dbraw/zinc/70/25/32/1064702532.db2.gz FPGIUMIWWMBYDK-QFIPXVFZSA-N 1 1 472.600 3.101 20 0 JGADMO CN1CC[N@@H+](CCn2c(C3CCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1(C)C ZINC001298896092 1064702541 /nfs/dbraw/zinc/70/25/41/1064702541.db2.gz FPGIUMIWWMBYDK-QFIPXVFZSA-N 1 1 472.600 3.101 20 0 JGADMO C[N@H+]1CCN(CCn2c(N3CCC(O)(Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902560 1064706452 /nfs/dbraw/zinc/70/64/52/1064706452.db2.gz DMJNTYGHEGECHI-UHFFFAOYSA-N 1 1 486.680 3.315 20 0 JGADMO CN1CC[N@H+](CCn2c(N3CCC(O)(Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902560 1064706467 /nfs/dbraw/zinc/70/64/67/1064706467.db2.gz DMJNTYGHEGECHI-UHFFFAOYSA-N 1 1 486.680 3.315 20 0 JGADMO CN1CC[N@@H+](CCn2c(N3CCC(O)(Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902560 1064706480 /nfs/dbraw/zinc/70/64/80/1064706480.db2.gz DMJNTYGHEGECHI-UHFFFAOYSA-N 1 1 486.680 3.315 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCC[C@@H]1C ZINC001298954452 1064746082 /nfs/dbraw/zinc/74/60/82/1064746082.db2.gz BTMMFONGRYWFNR-GJZGRUSLSA-N 1 1 481.414 3.149 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001298967014 1064757081 /nfs/dbraw/zinc/75/70/81/1064757081.db2.gz OYKAFAXNIOUASX-QZTJIDSGSA-N 1 1 462.042 3.180 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001298968363 1064759004 /nfs/dbraw/zinc/75/90/04/1064759004.db2.gz YDYJMCGXAVISNM-QZTJIDSGSA-N 1 1 462.042 3.466 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001298972536 1064763153 /nfs/dbraw/zinc/76/31/53/1064763153.db2.gz OYESGGOGBCNECB-RTWAWAEBSA-N 1 1 492.672 3.460 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001298985741 1064770334 /nfs/dbraw/zinc/77/03/34/1064770334.db2.gz OFYMOYFVJFVOQA-TXTKFYIRSA-N 1 1 484.645 3.264 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccccn2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001298988000 1064771592 /nfs/dbraw/zinc/77/15/92/1064771592.db2.gz CJQVLLHMOWXIAS-DYESRHJHSA-N 1 1 470.021 3.039 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001299002760 1064782118 /nfs/dbraw/zinc/78/21/18/1064782118.db2.gz NLDLJZUVSPNYCR-PMACEKPBSA-N 1 1 458.676 3.429 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299005520 1064787916 /nfs/dbraw/zinc/78/79/16/1064787916.db2.gz JLJXATAVQNUUCV-GAJHUEQPSA-N 1 1 489.462 3.402 20 0 JGADMO CC[N@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC001299009000 1064793372 /nfs/dbraw/zinc/79/33/72/1064793372.db2.gz DAMQSZPVTXHCBK-HYBUGGRVSA-N 1 1 455.624 3.053 20 0 JGADMO CC[N@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)[C@@H](C)C1 ZINC001299010450 1064794225 /nfs/dbraw/zinc/79/42/25/1064794225.db2.gz UQBYKSSFGXKHJY-WSTZPKSXSA-N 1 1 451.633 3.109 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299015487 1064798593 /nfs/dbraw/zinc/79/85/93/1064798593.db2.gz RLCFWZCCHMKZJQ-OSPHWJPCSA-N 1 1 474.053 3.466 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299015962 1064799505 /nfs/dbraw/zinc/79/95/05/1064799505.db2.gz LRMROPAASBCBMK-CEYNDMKZSA-N 1 1 453.635 3.059 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001299016267 1064800635 /nfs/dbraw/zinc/80/06/35/1064800635.db2.gz WUXJCAORWFIMOD-NIYFSFCBSA-N 1 1 484.645 3.045 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001299016266 1064800861 /nfs/dbraw/zinc/80/08/61/1064800861.db2.gz WUXJCAORWFIMOD-BCHFMIIMSA-N 1 1 484.645 3.045 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001299028203 1064812244 /nfs/dbraw/zinc/81/22/44/1064812244.db2.gz LYQLAQXFAPCEMS-XMMPIXPASA-N 1 1 470.618 3.164 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299029851 1064815226 /nfs/dbraw/zinc/81/52/26/1064815226.db2.gz QPKHHXMHLXZXCH-SIBVEZHUSA-N 1 1 488.627 3.478 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299029440 1064815307 /nfs/dbraw/zinc/81/53/07/1064815307.db2.gz PPUJOEWPJBETLG-ANSQWYIGSA-N 1 1 488.627 3.478 20 0 JGADMO O=C(N[C@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)c1ccccc1)OCc1ccccc1 ZINC001299032080 1064819496 /nfs/dbraw/zinc/81/94/96/1064819496.db2.gz FXXJYVOQDUNZBI-DEOSSOPVSA-N 1 1 451.567 3.367 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299034711 1064824267 /nfs/dbraw/zinc/82/42/67/1064824267.db2.gz YWYXQAZQFGQUBG-RXFWQSSRSA-N 1 1 468.646 3.168 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001299041669 1064832845 /nfs/dbraw/zinc/83/28/45/1064832845.db2.gz VEOSMTIXMWICGT-KYTVRQNUSA-N 1 1 474.694 3.281 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001299043892 1064836460 /nfs/dbraw/zinc/83/64/60/1064836460.db2.gz DAEYGULJPJDNSW-QHCPKHFHSA-N 1 1 496.681 3.283 20 0 JGADMO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[N@@H+](CC(C)C)C3)C2)n1 ZINC001299060898 1064854874 /nfs/dbraw/zinc/85/48/74/1064854874.db2.gz OBWOHDYSWAWMCI-RTWAWAEBSA-N 1 1 484.693 3.341 20 0 JGADMO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[N@@H+](CC(C)C)C3)C2)n1 ZINC001299060897 1064855088 /nfs/dbraw/zinc/85/50/88/1064855088.db2.gz OBWOHDYSWAWMCI-NHCUHLMSSA-N 1 1 484.693 3.341 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299075197 1064879571 /nfs/dbraw/zinc/87/95/71/1064879571.db2.gz SOJOHLUHHQKLNO-WIYYLYMNSA-N 1 1 482.032 3.476 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299084571 1064888756 /nfs/dbraw/zinc/88/87/56/1064888756.db2.gz GRCQVOYGEFFKSC-IPMKNSEASA-N 1 1 474.600 3.230 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001299085410 1064891002 /nfs/dbraw/zinc/89/10/02/1064891002.db2.gz IDEFHITZMOQCOS-HSZRJFAPSA-N 1 1 452.647 3.495 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CCCCn2cc[nH+]c2C)C1 ZINC001299096042 1064901249 /nfs/dbraw/zinc/90/12/49/1064901249.db2.gz LAKCNDIHRGQZQE-NRFANRHFSA-N 1 1 465.602 3.113 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001299098949 1064903938 /nfs/dbraw/zinc/90/39/38/1064903938.db2.gz VYGLYOOUEGGYIX-RBBKRZOGSA-N 1 1 468.646 3.248 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCn2cc[nH+]c2C)CC1 ZINC001299109933 1064918162 /nfs/dbraw/zinc/91/81/62/1064918162.db2.gz MYOGAZHHWLACNH-UHFFFAOYSA-N 1 1 462.385 3.419 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001299110062 1064918464 /nfs/dbraw/zinc/91/84/64/1064918464.db2.gz IKARIBLJBJRFHA-MRXNPFEDSA-N 1 1 489.462 3.461 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001299110701 1064919927 /nfs/dbraw/zinc/91/99/27/1064919927.db2.gz SPLPARIZPNAFLH-NRFANRHFSA-N 1 1 454.619 3.037 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001299111989 1064922704 /nfs/dbraw/zinc/92/27/04/1064922704.db2.gz PYBTZNGULGDVED-UHFFFAOYSA-N 1 1 475.641 3.499 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001299112138 1064923319 /nfs/dbraw/zinc/92/33/19/1064923319.db2.gz ZRWKBQXQKLXQQW-KRWDZBQOSA-N 1 1 489.462 3.402 20 0 JGADMO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)C1 ZINC001299131794 1064939670 /nfs/dbraw/zinc/93/96/70/1064939670.db2.gz TVHNQVYKZYJZBA-OAHLLOKOSA-N 1 1 451.976 3.308 20 0 JGADMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)C1 ZINC001299131794 1064939682 /nfs/dbraw/zinc/93/96/82/1064939682.db2.gz TVHNQVYKZYJZBA-OAHLLOKOSA-N 1 1 451.976 3.308 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001299132806 1064940079 /nfs/dbraw/zinc/94/00/79/1064940079.db2.gz ADMPCPWMJLFGDH-VIZSFHNOSA-N 1 1 482.673 3.314 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001299752631 1064953025 /nfs/dbraw/zinc/95/30/25/1064953025.db2.gz WCEGVIFHGLDPFE-XXBNENTESA-N 1 1 463.026 3.236 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001299767491 1064964468 /nfs/dbraw/zinc/96/44/68/1064964468.db2.gz NHECOFUJSZWPEW-RDGATRHJSA-N 1 1 456.635 3.016 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001299778158 1064977495 /nfs/dbraw/zinc/97/74/95/1064977495.db2.gz BIKLEOBRHQAHKL-IBGZPJMESA-N 1 1 492.462 3.478 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(Br)s3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001299779251 1064977929 /nfs/dbraw/zinc/97/79/29/1064977929.db2.gz GIPHCSTZISZOCE-HNNXBMFYSA-N 1 1 484.464 3.495 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001299779234 1064978001 /nfs/dbraw/zinc/97/80/01/1064978001.db2.gz FLOZECLTKICTBC-UHFFFAOYSA-N 1 1 491.478 3.206 20 0 JGADMO COC1(C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001299784496 1064981558 /nfs/dbraw/zinc/98/15/58/1064981558.db2.gz KIJIOCRGQZFISK-PMACEKPBSA-N 1 1 492.665 3.076 20 0 JGADMO COC1(C)CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299786721 1064984350 /nfs/dbraw/zinc/98/43/50/1064984350.db2.gz TYLDVUOPJHBUFY-NRFANRHFSA-N 1 1 457.619 3.056 20 0 JGADMO COC1(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001299787313 1064984955 /nfs/dbraw/zinc/98/49/55/1064984955.db2.gz VFWPMMXITLGDGP-QFIPXVFZSA-N 1 1 468.646 3.476 20 0 JGADMO CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CC[NH+](CCCF)CC1 ZINC001299827049 1065019965 /nfs/dbraw/zinc/01/99/65/1065019965.db2.gz IKWZFRJISSPARU-UHFFFAOYSA-N 1 1 452.324 3.436 20 0 JGADMO COc1cc(-c2nnc(N(C)C3CCC(C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc(OC)c1OC ZINC001299835923 1065027774 /nfs/dbraw/zinc/02/77/74/1065027774.db2.gz HIRFCRRRGMDOOF-WKBCRJLYSA-N 1 1 473.618 3.052 20 0 JGADMO COc1cc(-c2nnc(N(C)Cc3cc(C)on3)n2CC[N@H+]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299840290 1065033452 /nfs/dbraw/zinc/03/34/52/1065033452.db2.gz KDXGNEKKGZZSRU-INIZCTEOSA-N 1 1 470.574 3.388 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC001299842608 1065039315 /nfs/dbraw/zinc/03/93/15/1065039315.db2.gz APHLIRQWBARITP-QZTJIDSGSA-N 1 1 491.658 3.023 20 0 JGADMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)cc2)C1 ZINC001299848924 1065051982 /nfs/dbraw/zinc/05/19/82/1065051982.db2.gz CYPXTTMPJNYKIW-CKUXNOBLSA-N 1 1 455.624 3.182 20 0 JGADMO Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)cs2)c1 ZINC001299850030 1065053114 /nfs/dbraw/zinc/05/31/14/1065053114.db2.gz UZTWSWBJZPFFMN-NQIIRXRSSA-N 1 1 464.591 3.414 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@H](OC)C3)n2CC[N@@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299849880 1065053175 /nfs/dbraw/zinc/05/31/75/1065053175.db2.gz ARGIXTULZMJRSI-OAQYLSRUSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@H](OC)C3)n2CC[N@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299849880 1065053186 /nfs/dbraw/zinc/05/31/86/1065053186.db2.gz ARGIXTULZMJRSI-OAQYLSRUSA-N 1 1 487.645 3.467 20 0 JGADMO C[N@H+]1C[C@@H](CNC(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC001299855077 1065063477 /nfs/dbraw/zinc/06/34/77/1065063477.db2.gz JVTUPRIXEVFPOB-YADHBBJMSA-N 1 1 467.614 3.071 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCn2cc[nH+]c2C)cc(OC)c1OC ZINC001299857762 1065068194 /nfs/dbraw/zinc/06/81/94/1065068194.db2.gz XOYVLTJJDHKRAS-NRFANRHFSA-N 1 1 470.574 3.037 20 0 JGADMO COc1cc(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)ccc1OC(C)C ZINC001299859385 1065072106 /nfs/dbraw/zinc/07/21/06/1065072106.db2.gz BETYVKPSUBFZJC-JOCHJYFZSA-N 1 1 489.686 3.430 20 0 JGADMO COc1cc(-c2nnc(N3CCOC(C)(C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC001299860035 1065074374 /nfs/dbraw/zinc/07/43/74/1065074374.db2.gz MWOIOGTVOUNUFT-GOSISDBHSA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299860991 1065076677 /nfs/dbraw/zinc/07/66/77/1065076677.db2.gz ZXEACVHDWPNQCC-QGZVFWFLSA-N 1 1 491.658 3.023 20 0 JGADMO COc1cc(-c2nnc(Nc3ccn(C)n3)n2CC(C)(C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299863025 1065080326 /nfs/dbraw/zinc/08/03/26/1065080326.db2.gz GWBYWUIGHYTZJS-UHFFFAOYSA-N 1 1 469.590 3.329 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3cnccn3)n2CC[N@@H+]2CC=CCC2)ccc1SC ZINC001299871382 1065089988 /nfs/dbraw/zinc/08/99/88/1065089988.db2.gz JWYXWVHNLWMZJM-UHFFFAOYSA-N 1 1 451.600 3.364 20 0 JGADMO COc1cc(CN(C)c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOCC2(C)C)ccc1SC ZINC001299872637 1065091579 /nfs/dbraw/zinc/09/15/79/1065091579.db2.gz IIRTZISLHYBLQW-IBGZPJMESA-N 1 1 475.659 3.260 20 0 JGADMO COc1cc(CN(C)c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOCC2(C)C)ccc1SC ZINC001299872637 1065091592 /nfs/dbraw/zinc/09/15/92/1065091592.db2.gz IIRTZISLHYBLQW-IBGZPJMESA-N 1 1 475.659 3.260 20 0 JGADMO COc1cc(Cn2c(C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc(Cl)c1OC ZINC001299877498 1065097222 /nfs/dbraw/zinc/09/72/22/1065097222.db2.gz AMMHWXJPTKRBMP-UHFFFAOYSA-N 1 1 451.999 3.100 20 0 JGADMO COc1cc(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc(Cl)c1OC ZINC001299879669 1065099510 /nfs/dbraw/zinc/09/95/10/1065099510.db2.gz YQUNLBRUCYSNMG-VQIMIIECSA-N 1 1 464.010 3.277 20 0 JGADMO COc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc(OC)c1OC ZINC001299887908 1065112382 /nfs/dbraw/zinc/11/23/82/1065112382.db2.gz NYBWVWPYQMGOSN-LJQANCHMSA-N 1 1 473.618 3.167 20 0 JGADMO COc1cc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)ccc1C ZINC001299888764 1065115150 /nfs/dbraw/zinc/11/51/50/1065115150.db2.gz DNMJUPWPLNLUHN-UHFFFAOYSA-N 1 1 495.672 3.300 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CC=CCO3)CC2)cc(OC)c1 ZINC001299891613 1065119859 /nfs/dbraw/zinc/11/98/59/1065119859.db2.gz ALOLWSATEBDEIM-FQEVSTJZSA-N 1 1 455.603 3.260 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3NC(=O)CC3(C)C)CC2)cc(OC)c1 ZINC001299892981 1065121922 /nfs/dbraw/zinc/12/19/22/1065121922.db2.gz OUJBMMWVBXGRLP-JOCHJYFZSA-N 1 1 498.672 3.121 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3cc(C)nn3C)CC2)cc(OC)c1 ZINC001299892818 1065122056 /nfs/dbraw/zinc/12/20/56/1065122056.db2.gz NFEFLXPMUMRVLW-UHFFFAOYSA-N 1 1 467.618 3.005 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(-c4cnccn4)n3C[C@@H](OC)C(C)(C)C)CC2)cc(OC)c1 ZINC001299893483 1065123318 /nfs/dbraw/zinc/12/33/18/1065123318.db2.gz VEFKNHMKSVUUHN-HSZRJFAPSA-N 1 1 495.628 3.136 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H]3CC(F)(F)CO3)CC2)cc(OC)c1 ZINC001299893466 1065123348 /nfs/dbraw/zinc/12/33/48/1065123348.db2.gz UPCGLONZFAAAFW-OAQYLSRUSA-N 1 1 479.572 3.240 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CCCSC)CC2)cc(OC)c1 ZINC001299893508 1065123445 /nfs/dbraw/zinc/12/34/45/1065123445.db2.gz VPOOCJPODPEGQQ-OAQYLSRUSA-N 1 1 461.632 3.222 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)C3CC3)CC2)cc(OC)c1 ZINC001299893978 1065124009 /nfs/dbraw/zinc/12/40/09/1065124009.db2.gz ZSRWAXWTJIZTIS-VWLOTQADSA-N 1 1 457.619 3.076 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001299895211 1065126575 /nfs/dbraw/zinc/12/65/75/1065126575.db2.gz NBUPQNKEOYPUFF-HKUYNNGSSA-N 1 1 496.077 3.351 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001299895732 1065128571 /nfs/dbraw/zinc/12/85/71/1065128571.db2.gz LEHIQJBXKVKAHU-ROUUACIJSA-N 1 1 464.010 3.191 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001299907882 1065150548 /nfs/dbraw/zinc/15/05/48/1065150548.db2.gz NFAONFVTRUFTIF-ZWKOTPCHSA-N 1 1 475.037 3.396 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCCOCC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001299907913 1065151248 /nfs/dbraw/zinc/15/12/48/1065151248.db2.gz NPOJGMWODIFDOP-SFHVURJKSA-N 1 1 464.010 3.335 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001299907922 1065151293 /nfs/dbraw/zinc/15/12/93/1065151293.db2.gz WETWBVSRTPYKLN-IEBWSBKVSA-N 1 1 475.037 3.444 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCNC(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001299912357 1065162567 /nfs/dbraw/zinc/16/25/67/1065162567.db2.gz RGSCJKHWUQAFTJ-INIZCTEOSA-N 1 1 461.010 3.054 20 0 JGADMO COc1cc(F)cc(Cn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001299918270 1065169206 /nfs/dbraw/zinc/16/92/06/1065169206.db2.gz HNTKWIPAPILARR-UHFFFAOYSA-N 1 1 454.550 3.083 20 0 JGADMO COc1cc(F)cc(Cn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001299918270 1065169213 /nfs/dbraw/zinc/16/92/13/1065169213.db2.gz HNTKWIPAPILARR-UHFFFAOYSA-N 1 1 454.550 3.083 20 0 JGADMO COc1cc(N2CCN(c3nnc(Cc4ccccn4)n3CC[N@@H+](C)C(C)C)CC2)ccc1F ZINC001299922621 1065176600 /nfs/dbraw/zinc/17/66/00/1065176600.db2.gz QMAIVGJNNWFHNL-UHFFFAOYSA-N 1 1 467.593 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001299931427 1065195068 /nfs/dbraw/zinc/19/50/68/1065195068.db2.gz ZPAQFTYXZRBAMC-UHFFFAOYSA-N 1 1 484.601 3.314 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3c(C)noc3C)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001299931427 1065195074 /nfs/dbraw/zinc/19/50/74/1065195074.db2.gz ZPAQFTYXZRBAMC-UHFFFAOYSA-N 1 1 484.601 3.314 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001299932673 1065198399 /nfs/dbraw/zinc/19/83/99/1065198399.db2.gz SYTOPSFCPGQXEG-FDTRYVBHSA-N 1 1 487.645 3.059 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001299932673 1065198403 /nfs/dbraw/zinc/19/84/03/1065198403.db2.gz SYTOPSFCPGQXEG-FDTRYVBHSA-N 1 1 487.645 3.059 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001299934293 1065201352 /nfs/dbraw/zinc/20/13/52/1065201352.db2.gz RZIKNBWVWNDMOZ-OALUTQOASA-N 1 1 456.635 3.081 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299934293 1065201367 /nfs/dbraw/zinc/20/13/67/1065201367.db2.gz RZIKNBWVWNDMOZ-OALUTQOASA-N 1 1 456.635 3.081 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299934293 1065201385 /nfs/dbraw/zinc/20/13/85/1065201385.db2.gz RZIKNBWVWNDMOZ-OALUTQOASA-N 1 1 456.635 3.081 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299937841 1065205986 /nfs/dbraw/zinc/20/59/86/1065205986.db2.gz WVMIYVGXKHGYIK-CEYNDMKZSA-N 1 1 473.618 3.075 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001299939381 1065209227 /nfs/dbraw/zinc/20/92/27/1065209227.db2.gz ZXIINBNCLLGADX-VQTJNVASSA-N 1 1 470.662 3.471 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001299939383 1065209271 /nfs/dbraw/zinc/20/92/71/1065209271.db2.gz ZXIINBNCLLGADX-WOJBJXKFSA-N 1 1 470.662 3.471 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2C[C@H](OC)C(C)C)c1 ZINC001299949861 1065224857 /nfs/dbraw/zinc/22/48/57/1065224857.db2.gz INVTUQNRWPDSCG-CYFREDJKSA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001299950611 1065226477 /nfs/dbraw/zinc/22/64/77/1065226477.db2.gz KSPKOGQRHYIZIQ-IBGZPJMESA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299951546 1065229428 /nfs/dbraw/zinc/22/94/28/1065229428.db2.gz TVMQXCZMZRDKTA-SFHVURJKSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299951546 1065229434 /nfs/dbraw/zinc/22/94/34/1065229434.db2.gz TVMQXCZMZRDKTA-SFHVURJKSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CCc4cccs4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299953193 1065233217 /nfs/dbraw/zinc/23/32/17/1065233217.db2.gz WLQIKUMRCANJJP-IBGZPJMESA-N 1 1 484.670 3.339 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001299953562 1065234357 /nfs/dbraw/zinc/23/43/57/1065234357.db2.gz MAIXNTANAWJBTH-JPYJTQIMSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299959451 1065239966 /nfs/dbraw/zinc/23/99/66/1065239966.db2.gz PODROYFMMUTECC-OYRHEFFESA-N 1 1 497.644 3.424 20 0 JGADMO COc1cc2c(cc1OC)CCN(c1nnc(C(=O)NC(C)C)n1CC[N@H+]1CCCC(C)(C)C1)CC2 ZINC001299962575 1065245232 /nfs/dbraw/zinc/24/52/32/1065245232.db2.gz DRMABEFLTWWXKW-UHFFFAOYSA-N 1 1 498.672 3.161 20 0 JGADMO COc1cc2c(cc1OC)CCN(c1nnc(CC(C)C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC001299962960 1065245272 /nfs/dbraw/zinc/24/52/72/1065245272.db2.gz GCZCSAQTVZCEKF-HSZRJFAPSA-N 1 1 485.673 3.456 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299972956 1065260790 /nfs/dbraw/zinc/26/07/90/1065260790.db2.gz DRTMONNBFRNZNT-MRXNPFEDSA-N 1 1 465.440 3.197 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2COCCO2)c1 ZINC001299974276 1065264069 /nfs/dbraw/zinc/26/40/69/1065264069.db2.gz AEKCYPMRUBQTAD-GOSISDBHSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc([C@H](C)CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001299985298 1065286919 /nfs/dbraw/zinc/28/69/19/1065286919.db2.gz VHXDZHDUPCSAEN-IRLDBZIGSA-N 1 1 489.686 3.303 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCNC(=O)C(C)C)CC1 ZINC001299990259 1065293800 /nfs/dbraw/zinc/29/38/00/1065293800.db2.gz FVUOJKGURDKLII-UHFFFAOYSA-N 1 1 456.635 3.203 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)nc2)CC1 ZINC001299990320 1065293880 /nfs/dbraw/zinc/29/38/80/1065293880.db2.gz GTRAUCKQECKSLX-UHFFFAOYSA-N 1 1 498.031 3.152 20 0 JGADMO COc1ccc(C)cc1CCn1c(CC(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001299990609 1065294493 /nfs/dbraw/zinc/29/44/93/1065294493.db2.gz NDRQPUBGQXNJOB-RUZDIDTESA-N 1 1 498.716 3.268 20 0 JGADMO COc1ccc(C)cc1CN1CCN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299991398 1065295858 /nfs/dbraw/zinc/29/58/58/1065295858.db2.gz VORPWEMEFJGSRE-JOCHJYFZSA-N 1 1 470.662 3.152 20 0 JGADMO COc1ccc(C)cc1CN1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299991137 1065295904 /nfs/dbraw/zinc/29/59/04/1065295904.db2.gz UAGIYXUXRLZDLN-UHFFFAOYSA-N 1 1 477.657 3.243 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001299992096 1065298768 /nfs/dbraw/zinc/29/87/68/1065298768.db2.gz IMQYIRRUYJINHQ-CEXWTWQISA-N 1 1 486.661 3.419 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2c(C)noc2C)cc1 ZINC001299997501 1065308093 /nfs/dbraw/zinc/30/80/93/1065308093.db2.gz KGNBZVXJVHCUBX-UHFFFAOYSA-N 1 1 468.602 3.401 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2C[C@H]2C)c(OC)c1 ZINC001299997462 1065308197 /nfs/dbraw/zinc/30/81/97/1065308197.db2.gz JPRCLUYPFLZOPR-RTBURBONSA-N 1 1 457.619 3.413 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCCCO2)c(OC)c1 ZINC001299997520 1065308295 /nfs/dbraw/zinc/30/82/95/1065308295.db2.gz KQPJIHSUIFIKKQ-OAQYLSRUSA-N 1 1 487.645 3.326 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001492199445 1065312458 /nfs/dbraw/zinc/31/24/58/1065312458.db2.gz UPTVMUOAPFTFAM-UHFFFAOYSA-N 1 1 452.578 3.307 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001492199445 1065312464 /nfs/dbraw/zinc/31/24/64/1065312464.db2.gz UPTVMUOAPFTFAM-UHFFFAOYSA-N 1 1 452.578 3.307 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001492208558 1065323055 /nfs/dbraw/zinc/32/30/55/1065323055.db2.gz VBTJAXZHQOSCSW-GOSISDBHSA-N 1 1 451.550 3.494 20 0 JGADMO Cc1ccc(N2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCC[N@@H+](C)C(C)C)CC2=O)cc1 ZINC001492230054 1065331807 /nfs/dbraw/zinc/33/18/07/1065331807.db2.gz JTIHQPGKCDBLDQ-HHHXNRCGSA-N 1 1 498.672 3.211 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CCC3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492240061 1065337294 /nfs/dbraw/zinc/33/72/94/1065337294.db2.gz CAQVGQUCQWCMRG-UHFFFAOYSA-N 1 1 467.662 3.410 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCC[N@@H+](C)C(C)C ZINC001492587866 1065344492 /nfs/dbraw/zinc/34/44/92/1065344492.db2.gz DIQIZCMDFQSYNT-DEOSSOPVSA-N 1 1 481.689 3.490 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001492248236 1065347188 /nfs/dbraw/zinc/34/71/88/1065347188.db2.gz QOHFSTMDTBYJOJ-NHCUHLMSSA-N 1 1 481.645 3.113 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001492248235 1065347351 /nfs/dbraw/zinc/34/73/51/1065347351.db2.gz QOHFSTMDTBYJOJ-LEWJYISDSA-N 1 1 481.645 3.113 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001492264090 1065356810 /nfs/dbraw/zinc/35/68/10/1065356810.db2.gz DPJNVACLQHPRBU-FYYLOGMGSA-N 1 1 495.672 3.373 20 0 JGADMO Cc1nnsc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001492266187 1065361063 /nfs/dbraw/zinc/36/10/63/1065361063.db2.gz PIDAVRVXUIBXFO-UHFFFAOYSA-N 1 1 468.631 3.276 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](c2ccsc2)[NH+](C)C)cc1C ZINC001492268141 1065364159 /nfs/dbraw/zinc/36/41/59/1065364159.db2.gz SVWOCDUXUOBZSZ-GHTZIAJQSA-N 1 1 495.653 3.179 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001492273338 1065366096 /nfs/dbraw/zinc/36/60/96/1065366096.db2.gz CRFJVGIWXOUNNC-OAQYLSRUSA-N 1 1 497.644 3.346 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001492273902 1065367342 /nfs/dbraw/zinc/36/73/42/1065367342.db2.gz OZWJKCIZRXZCTC-QHCPKHFHSA-N 1 1 484.645 3.121 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001492276762 1065371145 /nfs/dbraw/zinc/37/11/45/1065371145.db2.gz QWDGAPANGFIZRR-COPCDDAFSA-N 1 1 468.646 3.475 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492286969 1065379285 /nfs/dbraw/zinc/37/92/85/1065379285.db2.gz KHTMGCVYGHWREJ-DEOSSOPVSA-N 1 1 491.640 3.004 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001492287784 1065381138 /nfs/dbraw/zinc/38/11/38/1065381138.db2.gz UBELTUBGLXWMHF-UHFFFAOYSA-N 1 1 477.613 3.143 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001492287784 1065381152 /nfs/dbraw/zinc/38/11/52/1065381152.db2.gz UBELTUBGLXWMHF-UHFFFAOYSA-N 1 1 477.613 3.143 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001492288049 1065381945 /nfs/dbraw/zinc/38/19/45/1065381945.db2.gz VKVXRSLBTHHRKR-OAQYLSRUSA-N 1 1 476.629 3.486 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001492302171 1065385274 /nfs/dbraw/zinc/38/52/74/1065385274.db2.gz AODQCDBHZGUDHI-GOSISDBHSA-N 1 1 479.572 3.287 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001492302171 1065385282 /nfs/dbraw/zinc/38/52/82/1065385282.db2.gz AODQCDBHZGUDHI-GOSISDBHSA-N 1 1 479.572 3.287 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001492317576 1065393495 /nfs/dbraw/zinc/39/34/95/1065393495.db2.gz NYNMSLCCVTWUAE-JOCHJYFZSA-N 1 1 489.686 3.443 20 0 JGADMO Cc1cc(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)no1 ZINC001492324725 1065397525 /nfs/dbraw/zinc/39/75/25/1065397525.db2.gz CZPPBZWCLNGABP-IBGZPJMESA-N 1 1 454.575 3.067 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492339727 1065407641 /nfs/dbraw/zinc/40/76/41/1065407641.db2.gz PLXBRVSPAGMDJB-UGKGYDQZSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492339703 1065407711 /nfs/dbraw/zinc/40/77/11/1065407711.db2.gz PLXBRVSPAGMDJB-DENIHFKCSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2ccncc2)cc1 ZINC001492339854 1065408340 /nfs/dbraw/zinc/40/83/40/1065408340.db2.gz WGDOQKYDGGOWKC-SZPZYZBQSA-N 1 1 464.614 3.349 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2ccncc2)cc1 ZINC001492339854 1065408343 /nfs/dbraw/zinc/40/83/43/1065408343.db2.gz WGDOQKYDGGOWKC-SZPZYZBQSA-N 1 1 464.614 3.349 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001492293998 1065408898 /nfs/dbraw/zinc/40/88/98/1065408898.db2.gz FTYITEOFEIJKCN-YADHBBJMSA-N 1 1 471.646 3.353 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001492294657 1065409784 /nfs/dbraw/zinc/40/97/84/1065409784.db2.gz JTTQXUDYAFOTSG-FQEVSTJZSA-N 1 1 465.602 3.058 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001492294657 1065409789 /nfs/dbraw/zinc/40/97/89/1065409789.db2.gz JTTQXUDYAFOTSG-FQEVSTJZSA-N 1 1 465.602 3.058 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001492340481 1065411424 /nfs/dbraw/zinc/41/14/24/1065411424.db2.gz SLMJXHQQVVQKTD-QFIPXVFZSA-N 1 1 484.689 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCCOC(F)F)cc1C ZINC001492352361 1065414699 /nfs/dbraw/zinc/41/46/99/1065414699.db2.gz LVKDAXSHVGHDFA-DEOSSOPVSA-N 1 1 479.572 3.404 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCCOC2)cc1 ZINC001492391061 1065421429 /nfs/dbraw/zinc/42/14/29/1065421429.db2.gz KZOWMOKRFHWCDC-QFIPXVFZSA-N 1 1 457.619 3.139 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001492363468 1065424982 /nfs/dbraw/zinc/42/49/82/1065424982.db2.gz KGLCHEGFDHWUOD-QHCPKHFHSA-N 1 1 498.672 3.065 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001492390899 1065456506 /nfs/dbraw/zinc/45/65/06/1065456506.db2.gz FRDXCAOVECVNSW-GOTSBHOMSA-N 1 1 471.646 3.385 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001492390963 1065457149 /nfs/dbraw/zinc/45/71/49/1065457149.db2.gz HZTGEYIIXQUXDL-BGYRXZFFSA-N 1 1 468.646 3.168 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492347917 1065463611 /nfs/dbraw/zinc/46/36/11/1065463611.db2.gz YUUZNMMGRHJGSQ-LJQANCHMSA-N 1 1 496.578 3.319 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001492392755 1065465341 /nfs/dbraw/zinc/46/53/41/1065465341.db2.gz JKZLJYKWKZYWMB-FCHUYYIVSA-N 1 1 471.646 3.324 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492402340 1065472712 /nfs/dbraw/zinc/47/27/12/1065472712.db2.gz ROJMXJLXWNZVDS-NQIIRXRSSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1C ZINC001492391512 1065498411 /nfs/dbraw/zinc/49/84/11/1065498411.db2.gz UFSPIRABIGXEPY-JOCHJYFZSA-N 1 1 468.646 3.168 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492456678 1065506942 /nfs/dbraw/zinc/50/69/42/1065506942.db2.gz RSUDCZXKZMSSCG-OHUGHZGNSA-N 1 1 486.686 3.080 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492460058 1065507926 /nfs/dbraw/zinc/50/79/26/1065507926.db2.gz NQJSEKQQJCXYOU-SQJMNOBHSA-N 1 1 473.687 3.444 20 0 JGADMO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001492470524 1065520578 /nfs/dbraw/zinc/52/05/78/1065520578.db2.gz RDVDSNZWOVZCBM-OALUTQOASA-N 1 1 460.648 3.155 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC[C@H]1C ZINC001300800651 1065532829 /nfs/dbraw/zinc/53/28/29/1065532829.db2.gz UHJGZJBILJSKJS-NNMXDRDESA-N 1 1 489.064 3.455 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)CC[C@H]1C ZINC001300803828 1065535650 /nfs/dbraw/zinc/53/56/50/1065535650.db2.gz KTGATRMHGPIKKN-IQVOZAENSA-N 1 1 498.853 3.289 20 0 JGADMO CO[C@H]1CN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1(C)C ZINC001300812643 1065542752 /nfs/dbraw/zinc/54/27/52/1065542752.db2.gz KTPWJNDENGVUQO-YADHBBJMSA-N 1 1 468.646 3.057 20 0 JGADMO O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001300822297 1065549720 /nfs/dbraw/zinc/54/97/20/1065549720.db2.gz WFXBOTZYEMDDFP-ISKFKSNPSA-N 1 1 455.624 3.374 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[C@@H]1C ZINC001300827304 1065556127 /nfs/dbraw/zinc/55/61/27/1065556127.db2.gz SAJLZEDDLAFXIV-SFYKDHMMSA-N 1 1 477.600 3.365 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[C@H]1C ZINC001300851986 1065596851 /nfs/dbraw/zinc/59/68/51/1065596851.db2.gz ZDWZQIHVGGUQPQ-PFDCGNQRSA-N 1 1 477.694 3.415 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[C@@H]1C ZINC001300851984 1065596983 /nfs/dbraw/zinc/59/69/83/1065596983.db2.gz ZDWZQIHVGGUQPQ-LHGONGGSSA-N 1 1 477.694 3.415 20 0 JGADMO CO[C@@H]1COCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300865055 1065628732 /nfs/dbraw/zinc/62/87/32/1065628732.db2.gz KDBCNTQXUNXGSN-JTHBVZDNSA-N 1 1 492.064 3.121 20 0 JGADMO COCC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001300880607 1065664533 /nfs/dbraw/zinc/66/45/33/1065664533.db2.gz NCBJVFMOVIYMQV-FQEVSTJZSA-N 1 1 468.646 3.022 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300903048 1065700362 /nfs/dbraw/zinc/70/03/62/1065700362.db2.gz BTBWBJDBUKWLNJ-OYRHEFFESA-N 1 1 468.646 3.045 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300934552 1065735869 /nfs/dbraw/zinc/73/58/69/1065735869.db2.gz WLFVOTLXWHEHAV-UHFFFAOYSA-N 1 1 465.042 3.461 20 0 JGADMO COCC(C)(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300940656 1065743164 /nfs/dbraw/zinc/74/31/64/1065743164.db2.gz UJIFBFLQFJSDJS-UHFFFAOYSA-N 1 1 453.591 3.187 20 0 JGADMO COCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001300949942 1065753039 /nfs/dbraw/zinc/75/30/39/1065753039.db2.gz WJTAAZNNNYVDAF-NRFANRHFSA-N 1 1 478.037 3.484 20 0 JGADMO COC[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001300963914 1065772488 /nfs/dbraw/zinc/77/24/88/1065772488.db2.gz CLTKLLQILYNTEV-IBGZPJMESA-N 1 1 476.069 3.271 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001300968151 1065776649 /nfs/dbraw/zinc/77/66/49/1065776649.db2.gz ZVEYWVPOJJRAOF-ZHRRBRCNSA-N 1 1 496.425 3.430 20 0 JGADMO COC[C@@H](C)Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001300977673 1065787158 /nfs/dbraw/zinc/78/71/58/1065787158.db2.gz GMJUOXVFZNSPJS-GREBRCKQSA-N 1 1 471.675 3.466 20 0 JGADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CC1=O ZINC001300981660 1065793233 /nfs/dbraw/zinc/79/32/33/1065793233.db2.gz CUGKODOKKBXUPG-BFHYXJOUSA-N 1 1 458.347 3.237 20 0 JGADMO COC[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001300981991 1065793873 /nfs/dbraw/zinc/79/38/73/1065793873.db2.gz ZYGREEJENRTEKJ-OALUTQOASA-N 1 1 462.038 3.494 20 0 JGADMO COC[C@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001300986790 1065799692 /nfs/dbraw/zinc/79/96/92/1065799692.db2.gz IBVCNOGWOJIWOC-RTWAWAEBSA-N 1 1 459.660 3.462 20 0 JGADMO COC[C@H](Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC001301012634 1065844866 /nfs/dbraw/zinc/84/48/66/1065844866.db2.gz DZMZNBLNMNUHFQ-GOTSBHOMSA-N 1 1 450.587 3.102 20 0 JGADMO COC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC001301012640 1065844996 /nfs/dbraw/zinc/84/49/96/1065844996.db2.gz DZMZNBLNMNUHFQ-XZOQPEGZSA-N 1 1 450.587 3.102 20 0 JGADMO COC[C@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301036273 1065878299 /nfs/dbraw/zinc/87/82/99/1065878299.db2.gz CLQHAYSECOROME-YLJYHZDGSA-N 1 1 493.027 3.157 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301039824 1065882391 /nfs/dbraw/zinc/88/23/91/1065882391.db2.gz KTPJQQNSPOWQKE-INIZCTEOSA-N 1 1 469.403 3.475 20 0 JGADMO COC[C@@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001301079787 1065929510 /nfs/dbraw/zinc/92/95/10/1065929510.db2.gz XTGCDRBXUXRLQJ-XZOQPEGZSA-N 1 1 469.609 3.225 20 0 JGADMO COC[C@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001301079775 1065929542 /nfs/dbraw/zinc/92/95/42/1065929542.db2.gz XTGCDRBXUXRLQJ-DHIUTWEWSA-N 1 1 469.609 3.225 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001301088429 1065938447 /nfs/dbraw/zinc/93/84/47/1065938447.db2.gz ODCRRXMIGPWDSG-UHFFFAOYSA-N 1 1 487.645 3.326 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301090704 1065940628 /nfs/dbraw/zinc/94/06/28/1065940628.db2.gz VHQWDEJHYOTHMF-UHFFFAOYSA-N 1 1 455.603 3.477 20 0 JGADMO O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001301092354 1065940868 /nfs/dbraw/zinc/94/08/68/1065940868.db2.gz ANHTVMLBCHWZOH-IBGZPJMESA-N 1 1 457.368 3.351 20 0 JGADMO COCC1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301094941 1065942458 /nfs/dbraw/zinc/94/24/58/1065942458.db2.gz MQCXUUKHFPWUPH-ZCNNSNEGSA-N 1 1 460.667 3.239 20 0 JGADMO COCC1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301094936 1065942618 /nfs/dbraw/zinc/94/26/18/1065942618.db2.gz MQCXUUKHFPWUPH-HSALFYBXSA-N 1 1 460.667 3.239 20 0 JGADMO CN(OCC(F)(F)F)C(=O)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001301101658 1065949041 /nfs/dbraw/zinc/94/90/41/1065949041.db2.gz KCHPVBXXZFNQGN-NFBKMPQASA-N 1 1 463.500 3.145 20 0 JGADMO COCC1(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001301106170 1065952939 /nfs/dbraw/zinc/95/29/39/1065952939.db2.gz RXMBQNDGFYXERH-UHFFFAOYSA-N 1 1 469.634 3.443 20 0 JGADMO COCc1cc(Cn2c(-c3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC001301151604 1065987428 /nfs/dbraw/zinc/98/74/28/1065987428.db2.gz AGKGPOGXBKSTIM-KDURUIRLSA-N 1 1 468.577 3.219 20 0 JGADMO COCc1cc(Cn2c(-c3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC001301151604 1065987441 /nfs/dbraw/zinc/98/74/41/1065987441.db2.gz AGKGPOGXBKSTIM-KDURUIRLSA-N 1 1 468.577 3.219 20 0 JGADMO COCC1=CCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001301195512 1066022394 /nfs/dbraw/zinc/02/23/94/1066022394.db2.gz HIKNSGLZGTYUTA-QFIPXVFZSA-N 1 1 453.631 3.461 20 0 JGADMO COCC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301204042 1066027982 /nfs/dbraw/zinc/02/79/82/1066027982.db2.gz NPQYDLNBKCUDSO-OYRHEFFESA-N 1 1 472.634 3.094 20 0 JGADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC001301231891 1066050810 /nfs/dbraw/zinc/05/08/10/1066050810.db2.gz DHFJFDXYNGARSX-FQEVSTJZSA-N 1 1 451.596 3.413 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301247425 1066064356 /nfs/dbraw/zinc/06/43/56/1066064356.db2.gz DROSRUQNPAPPES-QFIPXVFZSA-N 1 1 484.689 3.156 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301247425 1066064367 /nfs/dbraw/zinc/06/43/67/1066064367.db2.gz DROSRUQNPAPPES-QFIPXVFZSA-N 1 1 484.689 3.156 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301247425 1066064375 /nfs/dbraw/zinc/06/43/75/1066064375.db2.gz DROSRUQNPAPPES-QFIPXVFZSA-N 1 1 484.689 3.156 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301251069 1066068371 /nfs/dbraw/zinc/06/83/71/1066068371.db2.gz LLPDYPRUMHXUFW-FQEVSTJZSA-N 1 1 475.609 3.360 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301260665 1066075382 /nfs/dbraw/zinc/07/53/82/1066075382.db2.gz DEHQUMFCSCNASF-DENIHFKCSA-N 1 1 489.064 3.404 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCOCC2)C1 ZINC001301265695 1066081715 /nfs/dbraw/zinc/08/17/15/1066081715.db2.gz MLLWDTRPVXQWSO-QGZVFWFLSA-N 1 1 451.974 3.323 20 0 JGADMO COC[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301284985 1066093218 /nfs/dbraw/zinc/09/32/18/1066093218.db2.gz CHTIOWKVHKBPHS-SFTDATJTSA-N 1 1 489.064 3.455 20 0 JGADMO COCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301287150 1066094941 /nfs/dbraw/zinc/09/49/41/1066094941.db2.gz QUUAWQUVZGHFPP-FQEVSTJZSA-N 1 1 469.634 3.300 20 0 JGADMO COC[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301287851 1066095949 /nfs/dbraw/zinc/09/59/49/1066095949.db2.gz VTGOAMKEXFRIBM-PCCBWWKXSA-N 1 1 474.650 3.174 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001301293259 1066098207 /nfs/dbraw/zinc/09/82/07/1066098207.db2.gz GJXUSDGEZOSFJI-RXVVDRJESA-N 1 1 479.572 3.376 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301293687 1066098419 /nfs/dbraw/zinc/09/84/19/1066098419.db2.gz IWVXLCWPQLCPHT-ZCNNSNEGSA-N 1 1 487.645 3.323 20 0 JGADMO COCC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001301293831 1066098784 /nfs/dbraw/zinc/09/87/84/1066098784.db2.gz CKMOKGMHFLBGQB-UZUQRXQVSA-N 1 1 464.010 3.001 20 0 JGADMO COCC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301295069 1066100581 /nfs/dbraw/zinc/10/05/81/1066100581.db2.gz QLBNDPBRIZQJLR-UHFFFAOYSA-N 1 1 463.424 3.171 20 0 JGADMO COC[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301342778 1066133039 /nfs/dbraw/zinc/13/30/39/1066133039.db2.gz IHRVSCOHUCSPSA-HXUWFJFHSA-N 1 1 459.660 3.462 20 0 JGADMO COC[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301342778 1066133047 /nfs/dbraw/zinc/13/30/47/1066133047.db2.gz IHRVSCOHUCSPSA-HXUWFJFHSA-N 1 1 459.660 3.462 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(COC)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001301344683 1066135916 /nfs/dbraw/zinc/13/59/16/1066135916.db2.gz PTOHDMYEBHGAMD-HJNYFJLDSA-N 1 1 463.667 3.375 20 0 JGADMO COC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCO1 ZINC001301351965 1066141550 /nfs/dbraw/zinc/14/15/50/1066141550.db2.gz GGCBKNBLBJYBDO-BZSNNMDCSA-N 1 1 451.612 3.101 20 0 JGADMO COC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCO1 ZINC001301351965 1066141552 /nfs/dbraw/zinc/14/15/52/1066141552.db2.gz GGCBKNBLBJYBDO-BZSNNMDCSA-N 1 1 451.612 3.101 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301361034 1066154184 /nfs/dbraw/zinc/15/41/84/1066154184.db2.gz VBEWVGNWENCTPA-BQFCYCMXSA-N 1 1 481.439 3.008 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301361035 1066154196 /nfs/dbraw/zinc/15/41/96/1066154196.db2.gz VBEWVGNWENCTPA-JZXOWHBKSA-N 1 1 481.439 3.008 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H](C)O1 ZINC001301368955 1066163485 /nfs/dbraw/zinc/16/34/85/1066163485.db2.gz MYRBSIBYNOBKTR-SXLOBPIMSA-N 1 1 496.027 3.335 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001301370599 1066165079 /nfs/dbraw/zinc/16/50/79/1066165079.db2.gz APQWFFBSQNCLDS-GJPOJAMWSA-N 1 1 487.645 3.082 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301387515 1066174260 /nfs/dbraw/zinc/17/42/60/1066174260.db2.gz MLFWZAJLYCGLFD-KNQAVFIVSA-N 1 1 459.610 3.370 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001301387645 1066174525 /nfs/dbraw/zinc/17/45/25/1066174525.db2.gz KVDQVDVAADHDOI-SCPDWHHUSA-N 1 1 457.619 3.280 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H](C)O1 ZINC001301389047 1066174981 /nfs/dbraw/zinc/17/49/81/1066174981.db2.gz YCGMLRAZUAMHGM-NVJIOZQYSA-N 1 1 459.610 3.369 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC001301396557 1066177711 /nfs/dbraw/zinc/17/77/11/1066177711.db2.gz LJWIEIXUOPVUEZ-IRLDBZIGSA-N 1 1 471.646 3.240 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC001301396895 1066177853 /nfs/dbraw/zinc/17/78/53/1066177853.db2.gz OFOZUTZGXCFQCC-XPNTWCBSSA-N 1 1 456.635 3.159 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301409786 1066195994 /nfs/dbraw/zinc/19/59/94/1066195994.db2.gz KPZCFZKIGGPOOI-FGZHOGPDSA-N 1 1 457.619 3.138 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301418615 1066211252 /nfs/dbraw/zinc/21/12/52/1066211252.db2.gz XWVSMHRFOLERDI-QUCCMNQESA-N 1 1 475.659 3.084 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301423520 1066217097 /nfs/dbraw/zinc/21/70/97/1066217097.db2.gz JPJOANQZQRAYRW-UHFFFAOYSA-N 1 1 468.650 3.019 20 0 JGADMO COCCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001301430074 1066227491 /nfs/dbraw/zinc/22/74/91/1066227491.db2.gz MFAQNQMKEIYVHV-AVRDEDQJSA-N 1 1 477.600 3.367 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301947675 1066238820 /nfs/dbraw/zinc/23/88/20/1066238820.db2.gz CBQODVZPKAIWKH-JOCHJYFZSA-N 1 1 488.702 3.498 20 0 JGADMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000747096444 1066248728 /nfs/dbraw/zinc/24/87/28/1066248728.db2.gz YDVFIYJMVOJYFX-WMZOPIPTSA-N 1 1 459.509 3.092 20 0 JGADMO COCC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001301444952 1066256562 /nfs/dbraw/zinc/25/65/62/1066256562.db2.gz KIFASDOUBREDKP-HSZRJFAPSA-N 1 1 459.591 3.255 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001301448024 1066260956 /nfs/dbraw/zinc/26/09/56/1066260956.db2.gz DZIVOXBNTXMXOP-SEIBCYHCSA-N 1 1 487.645 3.199 20 0 JGADMO COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001301460362 1066281604 /nfs/dbraw/zinc/28/16/04/1066281604.db2.gz DAMIPFFDKCTYSX-SFTDATJTSA-N 1 1 460.667 3.324 20 0 JGADMO COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)CCCC1 ZINC001301461455 1066283416 /nfs/dbraw/zinc/28/34/16/1066283416.db2.gz NXLMYBGBQZZDKM-UHFFFAOYSA-N 1 1 474.675 3.397 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001301987040 1066301382 /nfs/dbraw/zinc/30/13/82/1066301382.db2.gz GRVPBBKFDMOAEC-OWCLPIDISA-N 1 1 495.024 3.455 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001301987500 1066302263 /nfs/dbraw/zinc/30/22/63/1066302263.db2.gz IBLXAEJWPQSMSY-HLLBOEOZSA-N 1 1 478.022 3.025 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001301987501 1066302318 /nfs/dbraw/zinc/30/23/18/1066302318.db2.gz IBLXAEJWPQSMSY-INMHGKMJSA-N 1 1 478.022 3.025 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001301988496 1066304726 /nfs/dbraw/zinc/30/47/26/1066304726.db2.gz LZFTUNXHYKSNEX-ARFHVFGLSA-N 1 1 454.040 3.339 20 0 JGADMO CC(C)(C)OC(=O)NCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC(O)C1 ZINC001301486163 1066309268 /nfs/dbraw/zinc/30/92/68/1066309268.db2.gz MPCSCJGMWOYCQR-BGPPBHKUSA-N 1 1 457.615 3.071 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301990655 1066309708 /nfs/dbraw/zinc/30/97/08/1066309708.db2.gz SPNBWSIFZCLGJQ-SJORKVTESA-N 1 1 483.082 3.373 20 0 JGADMO Cc1sc2ncnc(SCC(=O)NC[C@@H]3C[N@H+](C)CCN3Cc3ccccc3)c2c1C ZINC001301489085 1066311755 /nfs/dbraw/zinc/31/17/55/1066311755.db2.gz ONTSPTNPZJNSLY-LJQANCHMSA-N 1 1 455.653 3.333 20 0 JGADMO Cc1sc2ncnc(SCC(=O)NC[C@@H]3C[N@@H+](C)CCN3Cc3ccccc3)c2c1C ZINC001301489085 1066311768 /nfs/dbraw/zinc/31/17/68/1066311768.db2.gz ONTSPTNPZJNSLY-LJQANCHMSA-N 1 1 455.653 3.333 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001301999388 1066331408 /nfs/dbraw/zinc/33/14/08/1066331408.db2.gz CGDCGWNBCBBODE-QTEQDKRBSA-N 1 1 473.687 3.338 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001301999388 1066331425 /nfs/dbraw/zinc/33/14/25/1066331425.db2.gz CGDCGWNBCBBODE-QTEQDKRBSA-N 1 1 473.687 3.338 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001302000032 1066333556 /nfs/dbraw/zinc/33/35/56/1066333556.db2.gz DVTKNOLIFYAGAH-SQNIBIBYSA-N 1 1 490.605 3.028 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302000295 1066333677 /nfs/dbraw/zinc/33/36/77/1066333677.db2.gz NCMRVAHILXWGTG-HXUWFJFHSA-N 1 1 485.629 3.112 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302000295 1066333698 /nfs/dbraw/zinc/33/36/98/1066333698.db2.gz NCMRVAHILXWGTG-HXUWFJFHSA-N 1 1 485.629 3.112 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001301508220 1066337360 /nfs/dbraw/zinc/33/73/60/1066337360.db2.gz YSARCEOITVDQCP-HKUYNNGSSA-N 1 1 466.001 3.447 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001302004063 1066340195 /nfs/dbraw/zinc/34/01/95/1066340195.db2.gz QRPGZALJVRKQEI-FGTMMUONSA-N 1 1 496.077 3.253 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001302004065 1066340433 /nfs/dbraw/zinc/34/04/33/1066340433.db2.gz QRPGZALJVRKQEI-KZNAEPCWSA-N 1 1 496.077 3.253 20 0 JGADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302005512 1066344911 /nfs/dbraw/zinc/34/49/11/1066344911.db2.gz JHOVJWJFQIBQCN-OAQYLSRUSA-N 1 1 468.646 3.187 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301517150 1066345818 /nfs/dbraw/zinc/34/58/18/1066345818.db2.gz YLEBTJVOUJTEEB-QHAWAJNXSA-N 1 1 456.635 3.399 20 0 JGADMO COCCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301527929 1066355563 /nfs/dbraw/zinc/35/55/63/1066355563.db2.gz PVTIMOABWMSSHR-UHFFFAOYSA-N 1 1 477.675 3.476 20 0 JGADMO COCCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001301528879 1066356782 /nfs/dbraw/zinc/35/67/82/1066356782.db2.gz WZVJIXIAMJPFLG-PXNSSMCTSA-N 1 1 495.466 3.020 20 0 JGADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302014606 1066360743 /nfs/dbraw/zinc/36/07/43/1066360743.db2.gz CAGGEXXPDYXKDQ-HSZRJFAPSA-N 1 1 464.658 3.456 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(c3nc(C)no3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302014472 1066360787 /nfs/dbraw/zinc/36/07/87/1066360787.db2.gz LHZRZIQDXPGOMT-YLJYHZDGSA-N 1 1 475.638 3.198 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1(O)CCCC1 ZINC001302015058 1066361673 /nfs/dbraw/zinc/36/16/73/1066361673.db2.gz RYXCRZMZLUIWRS-VXKWHMMOSA-N 1 1 471.646 3.408 20 0 JGADMO COCCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301538593 1066366453 /nfs/dbraw/zinc/36/64/53/1066366453.db2.gz DRLQAUOHZCVAFA-QFIPXVFZSA-N 1 1 459.639 3.009 20 0 JGADMO COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC001301546958 1066376524 /nfs/dbraw/zinc/37/65/24/1066376524.db2.gz KTUHOLPRBOHKGY-VXKWHMMOSA-N 1 1 457.596 3.407 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001302022713 1066376723 /nfs/dbraw/zinc/37/67/23/1066376723.db2.gz PJGMUXHRECUBFG-PXDATVDWSA-N 1 1 456.635 3.218 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302023458 1066378679 /nfs/dbraw/zinc/37/86/79/1066378679.db2.gz IKGUZZFHSVWTMW-YYTDSSBASA-N 1 1 463.667 3.375 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H]1CCCSC1 ZINC001302023996 1066379763 /nfs/dbraw/zinc/37/97/63/1066379763.db2.gz KRUHGJKQERPHEU-SRUXOGRHSA-N 1 1 495.734 3.471 20 0 JGADMO COCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001301552583 1066380635 /nfs/dbraw/zinc/38/06/35/1066380635.db2.gz YUOXGYSTZOVAFE-SFHVURJKSA-N 1 1 478.435 3.293 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302025691 1066384924 /nfs/dbraw/zinc/38/49/24/1066384924.db2.gz FDUDMVUPQOQCHB-SNOBZRMMSA-N 1 1 489.636 3.360 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001302029828 1066394105 /nfs/dbraw/zinc/39/41/05/1066394105.db2.gz UOQBHBISSPDCMI-XLGIIRLISA-N 1 1 471.646 3.140 20 0 JGADMO CC(C)(C)c1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001302032623 1066400039 /nfs/dbraw/zinc/40/00/39/1066400039.db2.gz RFFHOUMIYGXYHT-UHFFFAOYSA-N 1 1 471.646 3.086 20 0 JGADMO COCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001301582576 1066418783 /nfs/dbraw/zinc/41/87/83/1066418783.db2.gz SVGVBKSPRDRBAD-MRXNPFEDSA-N 1 1 453.429 3.251 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3[nH]c4ccccc4c3CC2)n1CC[N@@H+](C)C(C)C ZINC001302044610 1066426609 /nfs/dbraw/zinc/42/66/09/1066426609.db2.gz XUNKGLFHESMGDC-LJQANCHMSA-N 1 1 454.619 3.429 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302052314 1066440553 /nfs/dbraw/zinc/44/05/53/1066440553.db2.gz CPSBCAWVMOQVBL-KSEOMHKRSA-N 1 1 459.639 3.141 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](c3nc(C)cs3)C2)n1CCn1cc[nH+]c1C ZINC001302053041 1066443821 /nfs/dbraw/zinc/44/38/21/1066443821.db2.gz HACUEBJVWPBKAW-IEBWSBKVSA-N 1 1 459.620 3.356 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001301606204 1066450925 /nfs/dbraw/zinc/45/09/25/1066450925.db2.gz BJUCUCCUQOCMBW-CALCHBBNSA-N 1 1 466.424 3.290 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](OC)C1 ZINC001301606560 1066451692 /nfs/dbraw/zinc/45/16/92/1066451692.db2.gz CQAIUZPYAUQAMT-KRWDZBQOSA-N 1 1 484.414 3.430 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001301606994 1066452960 /nfs/dbraw/zinc/45/29/60/1066452960.db2.gz GNPJFWWRKGSLFL-DLBZAZTESA-N 1 1 467.456 3.497 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001301607708 1066454475 /nfs/dbraw/zinc/45/44/75/1066454475.db2.gz PCLINSXJEIFIJO-OAQYLSRUSA-N 1 1 483.455 3.399 20 0 JGADMO COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)C)CC1 ZINC001301607728 1066455163 /nfs/dbraw/zinc/45/51/63/1066455163.db2.gz PPNIQACELNSXJB-UHFFFAOYSA-N 1 1 453.006 3.236 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)C)CC1 ZINC001301607728 1066455166 /nfs/dbraw/zinc/45/51/66/1066455166.db2.gz PPNIQACELNSXJB-UHFFFAOYSA-N 1 1 453.006 3.236 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001301608010 1066455243 /nfs/dbraw/zinc/45/52/43/1066455243.db2.gz NWBBSXFRQODWCN-FQEVSTJZSA-N 1 1 472.634 3.119 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001301610180 1066457493 /nfs/dbraw/zinc/45/74/93/1066457493.db2.gz OKUQDADRXVNMJM-LJQANCHMSA-N 1 1 474.625 3.184 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001301610178 1066457680 /nfs/dbraw/zinc/45/76/80/1066457680.db2.gz OKUQDADRXVNMJM-IBGZPJMESA-N 1 1 474.625 3.184 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001301610460 1066458042 /nfs/dbraw/zinc/45/80/42/1066458042.db2.gz PIFMGJVLMTYMER-QHCPKHFHSA-N 1 1 468.577 3.334 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001301610707 1066458071 /nfs/dbraw/zinc/45/80/71/1066458071.db2.gz TYWJAMYEABKXRK-IBGZPJMESA-N 1 1 497.644 3.346 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC001301610939 1066458860 /nfs/dbraw/zinc/45/88/60/1066458860.db2.gz ZMLAJULDDDBVNG-LJQANCHMSA-N 1 1 472.663 3.104 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001301610946 1066458880 /nfs/dbraw/zinc/45/88/80/1066458880.db2.gz ZQWPSDITKGMBOH-FQEVSTJZSA-N 1 1 472.634 3.359 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001301612962 1066461645 /nfs/dbraw/zinc/46/16/45/1066461645.db2.gz HPULVOKSQWERBX-HKBOAZHASA-N 1 1 494.681 3.037 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 ZINC001301613024 1066461789 /nfs/dbraw/zinc/46/17/89/1066461789.db2.gz ILOCKARQMYVEIB-HXUWFJFHSA-N 1 1 494.681 3.181 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 ZINC001301613023 1066461810 /nfs/dbraw/zinc/46/18/10/1066461810.db2.gz ILOCKARQMYVEIB-FQEVSTJZSA-N 1 1 494.681 3.181 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001301613827 1066463832 /nfs/dbraw/zinc/46/38/32/1066463832.db2.gz RRONEBIFTABBOS-NJDAHSKKSA-N 1 1 476.666 3.350 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001301613858 1066463930 /nfs/dbraw/zinc/46/39/30/1066463930.db2.gz SFNRGBTWOAGPIE-ACRUOGEOSA-N 1 1 494.681 3.180 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(Oc3ncccc3F)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302065547 1066464940 /nfs/dbraw/zinc/46/49/40/1066464940.db2.gz KMWPKQYTAUPFNG-UHFFFAOYSA-N 1 1 460.598 3.268 20 0 JGADMO COCCC[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001301616538 1066466448 /nfs/dbraw/zinc/46/64/48/1066466448.db2.gz AAAVEDHWOBGGGV-UHFFFAOYSA-N 1 1 464.655 3.036 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302066399 1066466692 /nfs/dbraw/zinc/46/66/92/1066466692.db2.gz TUQNOZXQBMLQMV-SGIRGMQISA-N 1 1 461.651 3.297 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCOc1ncccc1Cl ZINC001302066234 1066466845 /nfs/dbraw/zinc/46/68/45/1066466845.db2.gz CJZZEUKSMDODCB-SFHVURJKSA-N 1 1 481.041 3.440 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001302066824 1066468681 /nfs/dbraw/zinc/46/86/81/1066468681.db2.gz GRWPSJCHFIBQTE-TYBLODHISA-N 1 1 479.666 3.041 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)c1ncc(C)s1 ZINC001302067387 1066470044 /nfs/dbraw/zinc/47/00/44/1066470044.db2.gz IIXPPYQBSCNNSP-MJGOQNOKSA-N 1 1 450.653 3.491 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001301618540 1066471385 /nfs/dbraw/zinc/47/13/85/1066471385.db2.gz PGZVJFYKZARRIY-WTGUMLROSA-N 1 1 496.722 3.347 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCCN(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001302068126 1066471363 /nfs/dbraw/zinc/47/13/63/1066471363.db2.gz OFLRYQAVDBTTCJ-GOTSBHOMSA-N 1 1 470.662 3.451 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCCCC2)C1 ZINC001301618902 1066471790 /nfs/dbraw/zinc/47/17/90/1066471790.db2.gz RVIXPTZMCATJAM-UHFFFAOYSA-N 1 1 462.664 3.142 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC1CCCCC1 ZINC001302071798 1066480792 /nfs/dbraw/zinc/48/07/92/1066480792.db2.gz KGDYMBXJQQTOKM-HXUWFJFHSA-N 1 1 459.639 3.028 20 0 JGADMO COCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001301623251 1066482031 /nfs/dbraw/zinc/48/20/31/1066482031.db2.gz SXYRVYPHPCKSFJ-BVSLBCMMSA-N 1 1 457.619 3.228 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001302073004 1066483578 /nfs/dbraw/zinc/48/35/78/1066483578.db2.gz YFNNNBBOXYBMDR-GGAORHGYSA-N 1 1 490.693 3.104 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCCO1 ZINC001302074196 1066486274 /nfs/dbraw/zinc/48/62/74/1066486274.db2.gz ZXVKHESTZJBQLU-UGKGYDQZSA-N 1 1 461.582 3.033 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCCO1 ZINC001302074194 1066486374 /nfs/dbraw/zinc/48/63/74/1066486374.db2.gz ZXVKHESTZJBQLU-KNQAVFIVSA-N 1 1 461.582 3.033 20 0 JGADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001301628891 1066488712 /nfs/dbraw/zinc/48/87/12/1066488712.db2.gz WKFAIFFHXNNCCE-FLVWFLKISA-N 1 1 471.671 3.452 20 0 JGADMO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001301628898 1066488817 /nfs/dbraw/zinc/48/88/17/1066488817.db2.gz WKFAIFFHXNNCCE-ZGZCKBCJSA-N 1 1 471.671 3.452 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301631037 1066492752 /nfs/dbraw/zinc/49/27/52/1066492752.db2.gz LLSNHVJWCJLNGX-FQEVSTJZSA-N 1 1 496.660 3.027 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302079065 1066493329 /nfs/dbraw/zinc/49/33/29/1066493329.db2.gz WGYSLEFLNNXUMZ-ZWKOTPCHSA-N 1 1 483.583 3.479 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCC1(O)CCOCC1 ZINC001302079040 1066493347 /nfs/dbraw/zinc/49/33/47/1066493347.db2.gz FPJKIKANYLDDBR-UHFFFAOYSA-N 1 1 459.610 3.359 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001302079905 1066494883 /nfs/dbraw/zinc/49/48/83/1066494883.db2.gz ATQKXZHWPBELEQ-PKTZIBPZSA-N 1 1 470.662 3.430 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302079907 1066495552 /nfs/dbraw/zinc/49/55/52/1066495552.db2.gz ATQKXZHWPBELEQ-XZOQPEGZSA-N 1 1 470.662 3.430 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302080414 1066496565 /nfs/dbraw/zinc/49/65/65/1066496565.db2.gz PDJYQYGDQYSXOB-NHCUHLMSSA-N 1 1 450.672 3.043 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302080414 1066496571 /nfs/dbraw/zinc/49/65/71/1066496571.db2.gz PDJYQYGDQYSXOB-NHCUHLMSSA-N 1 1 450.672 3.043 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301641246 1066505593 /nfs/dbraw/zinc/50/55/93/1066505593.db2.gz GRGGGDHIPOWHJZ-OAQYLSRUSA-N 1 1 467.662 3.223 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302083715 1066506101 /nfs/dbraw/zinc/50/61/01/1066506101.db2.gz IWBLXTGIYLTAPR-RTWAWAEBSA-N 1 1 491.706 3.214 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302084184 1066507032 /nfs/dbraw/zinc/50/70/32/1066507032.db2.gz YXWYEZLOKQZKMO-VXKWHMMOSA-N 1 1 456.635 3.121 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001302084486 1066507948 /nfs/dbraw/zinc/50/79/48/1066507948.db2.gz SISJKYLGOPJTRW-UHFFFAOYSA-N 1 1 458.626 3.384 20 0 JGADMO COCCCn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001301645931 1066510076 /nfs/dbraw/zinc/51/00/76/1066510076.db2.gz GJFNRCWWNOMCCQ-HXUWFJFHSA-N 1 1 450.587 3.192 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CC(F)(F)CO1 ZINC001302088767 1066515156 /nfs/dbraw/zinc/51/51/56/1066515156.db2.gz HDHNIJRMBDQOKF-SBHAEUEKSA-N 1 1 479.572 3.137 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H]1CSCCS1 ZINC001302088757 1066515195 /nfs/dbraw/zinc/51/51/95/1066515195.db2.gz GZTHQISSAPFTNH-NQIIRXRSSA-N 1 1 495.690 3.312 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+](C)C(C)C)C1 ZINC001301649693 1066515771 /nfs/dbraw/zinc/51/57/71/1066515771.db2.gz XERFBCFXBHPLFR-AZUAARDMSA-N 1 1 460.598 3.202 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001302089721 1066516561 /nfs/dbraw/zinc/51/65/61/1066516561.db2.gz QNQXHECKBMKWTF-PKOBYXMFSA-N 1 1 482.000 3.144 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC1(C)CCOCC1 ZINC001302090053 1066517303 /nfs/dbraw/zinc/51/73/03/1066517303.db2.gz SDEBGHLGGOWMJN-LJQANCHMSA-N 1 1 463.648 3.203 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001302092128 1066520817 /nfs/dbraw/zinc/52/08/17/1066520817.db2.gz PAKBBWSFZRMQRA-ROUUACIJSA-N 1 1 462.664 3.479 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(OC)cc1 ZINC001302093347 1066521072 /nfs/dbraw/zinc/52/10/72/1066521072.db2.gz MNYIPHXUTHEFIW-WOJBJXKFSA-N 1 1 457.619 3.370 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302093889 1066521822 /nfs/dbraw/zinc/52/18/22/1066521822.db2.gz XRGIEVMEKLHTEK-DNVJHFABSA-N 1 1 462.683 3.045 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302093889 1066521828 /nfs/dbraw/zinc/52/18/28/1066521828.db2.gz XRGIEVMEKLHTEK-DNVJHFABSA-N 1 1 462.683 3.045 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C/C=C/c1ccccc1 ZINC001302094859 1066523778 /nfs/dbraw/zinc/52/37/78/1066523778.db2.gz SLVZIVSRPDYOEL-FEQMTQHMSA-N 1 1 469.630 3.405 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301655995 1066524860 /nfs/dbraw/zinc/52/48/60/1066524860.db2.gz VXSJIUCJHICVKB-NFBKMPQASA-N 1 1 467.662 3.465 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001301656220 1066525515 /nfs/dbraw/zinc/52/55/15/1066525515.db2.gz ZBULGPLHDCKFGI-QFIPXVFZSA-N 1 1 450.587 3.283 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302096768 1066528187 /nfs/dbraw/zinc/52/81/87/1066528187.db2.gz IPSWZKLIPOCOPR-OTPAQWSUSA-N 1 1 481.682 3.144 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302100246 1066533434 /nfs/dbraw/zinc/53/34/34/1066533434.db2.gz XKOTVOMLQVDSGD-PWRODBHTSA-N 1 1 451.656 3.374 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301662329 1066533660 /nfs/dbraw/zinc/53/36/60/1066533660.db2.gz FKEZDAJBCPNEGE-TXTKFYIRSA-N 1 1 470.637 3.433 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301666509 1066543093 /nfs/dbraw/zinc/54/30/93/1066543093.db2.gz TYBMKVSZTMNZSU-XUZZJYLKSA-N 1 1 475.641 3.089 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302110603 1066549581 /nfs/dbraw/zinc/54/95/81/1066549581.db2.gz FOJAEDZCESNEBI-NJDAHSKKSA-N 1 1 489.686 3.213 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302118948 1066559396 /nfs/dbraw/zinc/55/93/96/1066559396.db2.gz MBPXDECDDTZBOU-KSEOMHKRSA-N 1 1 475.609 3.055 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302118948 1066559403 /nfs/dbraw/zinc/55/94/03/1066559403.db2.gz MBPXDECDDTZBOU-KSEOMHKRSA-N 1 1 475.609 3.055 20 0 JGADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001301681293 1066564142 /nfs/dbraw/zinc/56/41/42/1066564142.db2.gz LTIIZWBQAJFSIM-KSFYIVLOSA-N 1 1 452.521 3.261 20 0 JGADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC001301681565 1066564509 /nfs/dbraw/zinc/56/45/09/1066564509.db2.gz NOTPMWYCBBOAHA-QFIPXVFZSA-N 1 1 455.356 3.101 20 0 JGADMO CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302122073 1066564730 /nfs/dbraw/zinc/56/47/30/1066564730.db2.gz VCGJZAQEQMPGHH-SFHLNBCPSA-N 1 1 460.667 3.381 20 0 JGADMO COCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001301684285 1066567431 /nfs/dbraw/zinc/56/74/31/1066567431.db2.gz JKJWHABFIVYNHB-UHFFFAOYSA-N 1 1 470.387 3.040 20 0 JGADMO COCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001301684285 1066567445 /nfs/dbraw/zinc/56/74/45/1066567445.db2.gz JKJWHABFIVYNHB-UHFFFAOYSA-N 1 1 470.387 3.040 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)ccc2NC1=O ZINC001302123835 1066567949 /nfs/dbraw/zinc/56/79/49/1066567949.db2.gz AGCXJRZCRVVHKL-CTNGQTDRSA-N 1 1 456.587 3.211 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)ccc2NC1=O ZINC001302123839 1066568145 /nfs/dbraw/zinc/56/81/45/1066568145.db2.gz AGCXJRZCRVVHKL-PZJWPPBQSA-N 1 1 456.587 3.211 20 0 JGADMO CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC001301685792 1066569417 /nfs/dbraw/zinc/56/94/17/1066569417.db2.gz GYQDBUNFKZOWIV-IMSXRSKXSA-N 1 1 488.721 3.451 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302132659 1066577565 /nfs/dbraw/zinc/57/75/65/1066577565.db2.gz AYEXXCKJYSBYQX-JOCHJYFZSA-N 1 1 481.567 3.219 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(Br)s2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301692664 1066580172 /nfs/dbraw/zinc/58/01/72/1066580172.db2.gz RNGGZVHQOLELCW-GASCZTMLSA-N 1 1 472.453 3.351 20 0 JGADMO CC(=O)N1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301693320 1066581747 /nfs/dbraw/zinc/58/17/47/1066581747.db2.gz XREXSHBDAFSIRC-ATIYNZHBSA-N 1 1 490.693 3.032 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001302136404 1066582567 /nfs/dbraw/zinc/58/25/67/1066582567.db2.gz RKTWDLULMSQIGN-IBGZPJMESA-N 1 1 496.578 3.410 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301696353 1066585083 /nfs/dbraw/zinc/58/50/83/1066585083.db2.gz NHNPPKAIYPHPQS-FQEVSTJZSA-N 1 1 493.027 3.153 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302139344 1066586664 /nfs/dbraw/zinc/58/66/64/1066586664.db2.gz CWCVZTFYFITUIP-ATIYNZHBSA-N 1 1 473.637 3.341 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001301704650 1066593246 /nfs/dbraw/zinc/59/32/46/1066593246.db2.gz QBDMNICGJOLJJN-OAQYLSRUSA-N 1 1 454.619 3.017 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C)cc3C)C[C@H]2C)CC1 ZINC001301707306 1066597323 /nfs/dbraw/zinc/59/73/23/1066597323.db2.gz BSPIMKGJEPVBJW-ZJSXRUAMSA-N 1 1 452.647 3.446 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCCOC(C)C)C[C@@H]2C)CC1 ZINC001301707568 1066598259 /nfs/dbraw/zinc/59/82/59/1066598259.db2.gz CYRYSGXHTZQOEZ-JTHBVZDNSA-N 1 1 476.710 3.451 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)C[C@H]2C)CC1 ZINC001301707844 1066599135 /nfs/dbraw/zinc/59/91/35/1066599135.db2.gz GFLTVEWYWKUCEB-UTKZUKDTSA-N 1 1 487.718 3.271 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)C[C@H]2C)CC1 ZINC001301707842 1066599276 /nfs/dbraw/zinc/59/92/76/1066599276.db2.gz GFLTVEWYWKUCEB-DYESRHJHSA-N 1 1 487.718 3.271 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3Cc3ccnc(C(F)(F)F)c3)C[C@H]2C)CC1 ZINC001301708174 1066599412 /nfs/dbraw/zinc/59/94/12/1066599412.db2.gz IXURAHHALFKDAG-XLIONFOSSA-N 1 1 493.578 3.243 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC3CCOCC3)C[C@H]2C)CC1 ZINC001301708247 1066600070 /nfs/dbraw/zinc/60/00/70/1066600070.db2.gz KHKJKRRVRNFVTA-NFBKMPQASA-N 1 1 474.694 3.062 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccc4C)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301708410 1066600565 /nfs/dbraw/zinc/60/05/65/1066600565.db2.gz MNHNLIFFYNHLEH-RDGATRHJSA-N 1 1 482.673 3.448 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3)C[C@H]2C)CC1 ZINC001301708393 1066600580 /nfs/dbraw/zinc/60/05/80/1066600580.db2.gz MKLPCNDGYXXGOB-RCZVLFRGSA-N 1 1 495.716 3.481 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708422 1066601230 /nfs/dbraw/zinc/60/12/30/1066601230.db2.gz MQHOYFKZFGVHLG-RBBKRZOGSA-N 1 1 462.683 3.017 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001301708478 1066601425 /nfs/dbraw/zinc/60/14/25/1066601425.db2.gz NQCRMMOPVZJHDA-RDPSFJRHSA-N 1 1 496.700 3.392 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3ccc4ccccc4n3)n2CC[N@@H+](C)C(C)C)C1 ZINC001302152195 1066604621 /nfs/dbraw/zinc/60/46/21/1066604621.db2.gz PHRJBGSVJKXHGT-OAQYLSRUSA-N 1 1 452.603 3.465 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001301711430 1066606635 /nfs/dbraw/zinc/60/66/35/1066606635.db2.gz ZPXXZSKGLKCJPH-SANMLTNESA-N 1 1 484.645 3.122 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001301711428 1066606744 /nfs/dbraw/zinc/60/67/44/1066606744.db2.gz ZPXXZSKGLKCJPH-AREMUKBSSA-N 1 1 484.645 3.122 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301712504 1066608647 /nfs/dbraw/zinc/60/86/47/1066608647.db2.gz GDEZGERWWNKWSU-ISKFKSNPSA-N 1 1 498.672 3.060 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301712984 1066609943 /nfs/dbraw/zinc/60/99/43/1066609943.db2.gz LBPADMOUTLMREH-PZJWPPBQSA-N 1 1 454.619 3.188 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCC2)C1 ZINC001301713285 1066610953 /nfs/dbraw/zinc/61/09/53/1066610953.db2.gz KFMNFWFZDZYGOD-UHFFFAOYSA-N 1 1 451.974 3.465 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001301713257 1066611125 /nfs/dbraw/zinc/61/11/25/1066611125.db2.gz JLRXFKMEYJNHBM-QFIPXVFZSA-N 1 1 495.466 3.021 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 ZINC001301713268 1066611144 /nfs/dbraw/zinc/61/11/44/1066611144.db2.gz JOYNCAUCYRPZAB-NRFANRHFSA-N 1 1 455.607 3.470 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C)C1 ZINC001301713357 1066611762 /nfs/dbraw/zinc/61/17/62/1066611762.db2.gz KWNFDLCPLGWTLR-INIZCTEOSA-N 1 1 453.429 3.251 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001302157123 1066612548 /nfs/dbraw/zinc/61/25/48/1066612548.db2.gz OFZQOYJSNCBMRM-DEOSSOPVSA-N 1 1 485.673 3.379 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001301713931 1066614092 /nfs/dbraw/zinc/61/40/92/1066614092.db2.gz OWMAVNSKVIIJIJ-IBGZPJMESA-N 1 1 475.659 3.243 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001301714027 1066614870 /nfs/dbraw/zinc/61/48/70/1066614870.db2.gz QSNVRFJNXBJSMT-IBGZPJMESA-N 1 1 492.068 3.093 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001301715042 1066617417 /nfs/dbraw/zinc/61/74/17/1066617417.db2.gz AKDXIVZZRQPLPY-UHFFFAOYSA-N 1 1 465.646 3.195 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001301715594 1066618119 /nfs/dbraw/zinc/61/81/19/1066618119.db2.gz GNSVUWGTUIQUSO-UHFFFAOYSA-N 1 1 477.535 3.457 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001301718519 1066620864 /nfs/dbraw/zinc/62/08/64/1066620864.db2.gz GWGVPESVBNYGRL-XMMPIXPASA-N 1 1 463.573 3.122 20 0 JGADMO COCC[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001301719277 1066621450 /nfs/dbraw/zinc/62/14/50/1066621450.db2.gz PFGGVIILTGIBOS-SFHVURJKSA-N 1 1 450.653 3.178 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301720770 1066623664 /nfs/dbraw/zinc/62/36/64/1066623664.db2.gz FUGGBHNZSKKAAI-MRXNPFEDSA-N 1 1 492.466 3.215 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301720746 1066624301 /nfs/dbraw/zinc/62/43/01/1066624301.db2.gz CLIOCYKFFYFBCU-GYPIEGGISA-N 1 1 478.037 3.247 20 0 JGADMO COCC[N@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001301720993 1066625429 /nfs/dbraw/zinc/62/54/29/1066625429.db2.gz DQWWJPLTZBYBTC-HNNXBMFYSA-N 1 1 498.074 3.015 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001301720993 1066625433 /nfs/dbraw/zinc/62/54/33/1066625433.db2.gz DQWWJPLTZBYBTC-HNNXBMFYSA-N 1 1 498.074 3.015 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)[C@H](C)C1 ZINC001301721539 1066627564 /nfs/dbraw/zinc/62/75/64/1066627564.db2.gz LAGMMRXZZVTYKK-XLIONFOSSA-N 1 1 493.027 3.032 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)[C@H](C)C1 ZINC001301721541 1066627665 /nfs/dbraw/zinc/62/76/65/1066627665.db2.gz LAGMMRXZZVTYKK-YLJYHZDGSA-N 1 1 493.027 3.032 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001301721648 1066627722 /nfs/dbraw/zinc/62/77/22/1066627722.db2.gz JRJIXRIQAGNILQ-XLNZFTOWSA-N 1 1 494.036 3.034 20 0 JGADMO COCC[N@@H+](C)CCCn1c(N2CCC(NC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C ZINC001301722901 1066632186 /nfs/dbraw/zinc/63/21/86/1066632186.db2.gz RZWXSXYEYWPIDL-UHFFFAOYSA-N 1 1 477.698 3.145 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001301723138 1066633536 /nfs/dbraw/zinc/63/35/36/1066633536.db2.gz XCIGFEDIDGDZEE-JOCHJYFZSA-N 1 1 485.551 3.062 20 0 JGADMO COCC[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001301723089 1066633558 /nfs/dbraw/zinc/63/35/58/1066633558.db2.gz VOOLCXFXKDVROF-IBGZPJMESA-N 1 1 477.053 3.312 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302169464 1066638296 /nfs/dbraw/zinc/63/82/96/1066638296.db2.gz QFJRWFCRHDZWDO-SJLPKXTDSA-N 1 1 451.974 3.464 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302169461 1066638310 /nfs/dbraw/zinc/63/83/10/1066638310.db2.gz QFJRWFCRHDZWDO-AEFFLSMTSA-N 1 1 451.974 3.464 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001301725453 1066639491 /nfs/dbraw/zinc/63/94/91/1066639491.db2.gz GJMBBYNWINAMRQ-UHFFFAOYSA-N 1 1 452.603 3.368 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001301725302 1066639658 /nfs/dbraw/zinc/63/96/58/1066639658.db2.gz CCKCVQMSHMVOLV-UHFFFAOYSA-N 1 1 451.575 3.256 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CC=CCC2)[C@@H](C)C1 ZINC001301725876 1066641448 /nfs/dbraw/zinc/64/14/48/1066641448.db2.gz UAFIMTPJZIWSQA-SFHVURJKSA-N 1 1 487.446 3.335 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1Cc1ccc(F)cn1 ZINC001302171818 1066642319 /nfs/dbraw/zinc/64/23/19/1066642319.db2.gz CQTXNWOJYPXQCW-JOCHJYFZSA-N 1 1 482.604 3.011 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001301726452 1066642977 /nfs/dbraw/zinc/64/29/77/1066642977.db2.gz SKHNYRNQLKOYKH-OXJNMPFZSA-N 1 1 451.999 3.047 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)OC)CC1 ZINC001301726425 1066642993 /nfs/dbraw/zinc/64/29/93/1066642993.db2.gz SEKVLKJSDSKIKO-UHFFFAOYSA-N 1 1 457.619 3.210 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001301726938 1066644256 /nfs/dbraw/zinc/64/42/56/1066644256.db2.gz XOFXZGOFACSTDM-HXUWFJFHSA-N 1 1 458.010 3.424 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001301727012 1066644432 /nfs/dbraw/zinc/64/44/32/1066644432.db2.gz YWLTZUPDSGOSKZ-NRFANRHFSA-N 1 1 461.513 3.281 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001301727577 1066644927 /nfs/dbraw/zinc/64/49/27/1066644927.db2.gz GIZJJSBKHZJVEU-UHFFFAOYSA-N 1 1 491.065 3.053 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001301727361 1066644960 /nfs/dbraw/zinc/64/49/60/1066644960.db2.gz CFBWGKKWDPOVRG-SJLPKXTDSA-N 1 1 464.408 3.283 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001302173608 1066645066 /nfs/dbraw/zinc/64/50/66/1066645066.db2.gz KBBNMGVIAAZZGQ-SJLPKXTDSA-N 1 1 478.435 3.432 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001301727524 1066645051 /nfs/dbraw/zinc/64/50/51/1066645051.db2.gz FLWLUCYGAJFTTP-UHFFFAOYSA-N 1 1 456.978 3.143 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1Br ZINC001301727621 1066645158 /nfs/dbraw/zinc/64/51/58/1066645158.db2.gz HPIALBNDLWWJNM-UHFFFAOYSA-N 1 1 459.392 3.317 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001301727360 1066645169 /nfs/dbraw/zinc/64/51/69/1066645169.db2.gz CFBWGKKWDPOVRG-FUHWJXTLSA-N 1 1 464.408 3.283 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(F)cc(F)c2C1 ZINC001301727843 1066645802 /nfs/dbraw/zinc/64/58/02/1066645802.db2.gz LKERNQGHWNPWNE-UHFFFAOYSA-N 1 1 462.932 3.413 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC001301727879 1066646292 /nfs/dbraw/zinc/64/62/92/1066646292.db2.gz NAMFXLSVKUAELP-UHFFFAOYSA-N 1 1 450.587 3.275 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001301728136 1066647087 /nfs/dbraw/zinc/64/70/87/1066647087.db2.gz VQSVLVPBTCDVEN-HXUWFJFHSA-N 1 1 486.636 3.137 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCSC[C@H]1C ZINC001301728061 1066647213 /nfs/dbraw/zinc/64/72/13/1066647213.db2.gz UCOASCBKCRWGLM-OAHLLOKOSA-N 1 1 454.438 3.228 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001301729297 1066647736 /nfs/dbraw/zinc/64/77/36/1066647736.db2.gz GWGPKKQHNAYJRL-UHFFFAOYSA-N 1 1 464.614 3.103 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@@H](SC)C1 ZINC001301729840 1066648427 /nfs/dbraw/zinc/64/84/27/1066648427.db2.gz MVCBTOWDXNFRGW-JOCHJYFZSA-N 1 1 469.659 3.431 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001302176444 1066651056 /nfs/dbraw/zinc/65/10/56/1066651056.db2.gz OMHGOYHCYDCXAL-QGZVFWFLSA-N 1 1 461.680 3.365 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001302177052 1066651821 /nfs/dbraw/zinc/65/18/21/1066651821.db2.gz UQDJWBWRLBOVDW-QFIPXVFZSA-N 1 1 455.647 3.443 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001301732828 1066652618 /nfs/dbraw/zinc/65/26/18/1066652618.db2.gz VFSVQHQPFDVLLW-JOCHJYFZSA-N 1 1 454.575 3.040 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C ZINC001301732883 1066652657 /nfs/dbraw/zinc/65/26/57/1066652657.db2.gz WQTSOOHDTRRRDB-UHFFFAOYSA-N 1 1 464.655 3.350 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCc2ccc(Br)cc2C1 ZINC001301732999 1066653401 /nfs/dbraw/zinc/65/34/01/1066653401.db2.gz CNCKBMINCNNPQZ-UHFFFAOYSA-N 1 1 485.430 3.167 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 ZINC001301733330 1066653982 /nfs/dbraw/zinc/65/39/82/1066653982.db2.gz XSAINYCRHBVDIR-FQEVSTJZSA-N 1 1 464.655 3.351 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C(C)C)CC12CCCCC2 ZINC001301733477 1066654001 /nfs/dbraw/zinc/65/40/01/1066654001.db2.gz JYSMCQBABQZSHI-UHFFFAOYSA-N 1 1 453.635 3.360 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001301734664 1066655951 /nfs/dbraw/zinc/65/59/51/1066655951.db2.gz PSVSBRRNITVMGV-QAPCUYQASA-N 1 1 475.943 3.257 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001301734789 1066655991 /nfs/dbraw/zinc/65/59/91/1066655991.db2.gz RFGVTEYZSPHRTQ-FQEVSTJZSA-N 1 1 450.027 3.352 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301735342 1066657449 /nfs/dbraw/zinc/65/74/49/1066657449.db2.gz YRWNVFZUFWDXRU-VQTJNVASSA-N 1 1 478.682 3.184 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001301736157 1066658150 /nfs/dbraw/zinc/65/81/50/1066658150.db2.gz IUXNSYSSCRCZAM-FQEVSTJZSA-N 1 1 467.536 3.406 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302183684 1066660546 /nfs/dbraw/zinc/66/05/46/1066660546.db2.gz BMJWHLUUGHEOQQ-VWPQPMDRSA-N 1 1 463.667 3.140 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC001301744222 1066668681 /nfs/dbraw/zinc/66/86/81/1066668681.db2.gz JUCHZFMBDMTSDR-FGZHOGPDSA-N 1 1 452.647 3.499 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC001301744224 1066668725 /nfs/dbraw/zinc/66/87/25/1066668725.db2.gz JUCHZFMBDMTSDR-YADHBBJMSA-N 1 1 452.647 3.499 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC001301744999 1066671206 /nfs/dbraw/zinc/67/12/06/1066671206.db2.gz PCVZJNDKRNBBBE-VQTJNVASSA-N 1 1 489.064 3.080 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001301745481 1066672794 /nfs/dbraw/zinc/67/27/94/1066672794.db2.gz UUOYAZWGCYQUQH-QGZVFWFLSA-N 1 1 455.994 3.175 20 0 JGADMO COCCN(c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1CCOCC1)[C@H]1CC[C@@H](C)C1 ZINC001301747439 1066675256 /nfs/dbraw/zinc/67/52/56/1066675256.db2.gz CZNVWMVLXMBNCO-QUCCMNQESA-N 1 1 463.026 3.357 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001301748630 1066677196 /nfs/dbraw/zinc/67/71/96/1066677196.db2.gz BVSJEBVXBPHVKU-FQEVSTJZSA-N 1 1 451.619 3.068 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001302192609 1066677454 /nfs/dbraw/zinc/67/74/54/1066677454.db2.gz JTSCHQLVUJNOHL-UHFFFAOYSA-N 1 1 451.681 3.146 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001301750005 1066679148 /nfs/dbraw/zinc/67/91/48/1066679148.db2.gz OBUOCCDERRMVEF-FYYLOGMGSA-N 1 1 492.672 3.107 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)Cc2cccc(F)c2)CC1 ZINC001302194115 1066681118 /nfs/dbraw/zinc/68/11/18/1066681118.db2.gz BFGKYHMMMKIDNA-UHFFFAOYSA-N 1 1 467.593 3.082 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001302194332 1066681136 /nfs/dbraw/zinc/68/11/36/1066681136.db2.gz ZHGLLICAKBARKY-UHFFFAOYSA-N 1 1 477.650 3.143 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)F)CC1 ZINC001302194517 1066681499 /nfs/dbraw/zinc/68/14/99/1066681499.db2.gz FVQCKNHNEFUWAQ-QGZVFWFLSA-N 1 1 462.545 3.190 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001301751075 1066681593 /nfs/dbraw/zinc/68/15/93/1066681593.db2.gz WZIGRJDXCBQIBN-VSKRKVRLSA-N 1 1 498.672 3.110 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCC(F)F)CC1 ZINC001302195802 1066685148 /nfs/dbraw/zinc/68/51/48/1066685148.db2.gz WQWGJQAKUQXHFG-UHFFFAOYSA-N 1 1 487.555 3.292 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001302195936 1066685792 /nfs/dbraw/zinc/68/57/92/1066685792.db2.gz XQBYHTKWDVVJBX-KRWDZBQOSA-N 1 1 466.051 3.344 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC001301755848 1066686966 /nfs/dbraw/zinc/68/69/66/1066686966.db2.gz DWKMYFNGJLZXAH-PGRDOPGGSA-N 1 1 472.609 3.174 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001302200360 1066694159 /nfs/dbraw/zinc/69/41/59/1066694159.db2.gz NBVSCMAYDLUOQF-RTBURBONSA-N 1 1 488.599 3.093 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001302200890 1066695426 /nfs/dbraw/zinc/69/54/26/1066695426.db2.gz TXODEQGHWZDUOB-KRWDZBQOSA-N 1 1 496.582 3.404 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)c(F)c3F)C[C@@H]2C)CC1 ZINC001301762431 1066700514 /nfs/dbraw/zinc/70/05/14/1066700514.db2.gz ALPBYQRFBKOTJC-UWJYYQICSA-N 1 1 492.590 3.125 20 0 JGADMO CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301762459 1066700534 /nfs/dbraw/zinc/70/05/34/1066700534.db2.gz AXCMRZIFBOLHDL-HYBUGGRVSA-N 1 1 484.620 3.341 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CCc4ccccc4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001301762963 1066702569 /nfs/dbraw/zinc/70/25/69/1066702569.db2.gz DVLYYGWOLSHHOI-RDGATRHJSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3CC(C)C)C[C@H]2C)CC1 ZINC001301763674 1066703585 /nfs/dbraw/zinc/70/35/85/1066703585.db2.gz GVWIIIKDCWQIJY-WOIUINJBSA-N 1 1 472.609 3.202 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCc3cccc(F)c3F)C[C@@H]2C)CC1 ZINC001301764456 1066704587 /nfs/dbraw/zinc/70/45/87/1066704587.db2.gz JQUMTPWUCLYJGT-AVRDEDQJSA-N 1 1 488.627 3.376 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(C)(C)O)c3)C[C@@H]2C)CC1 ZINC001301764143 1066704752 /nfs/dbraw/zinc/70/47/52/1066704752.db2.gz IOOAWGDHSDYIFG-GBXCKJPGSA-N 1 1 496.700 3.131 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(C)(C)O)c3)C[C@@H]2C)CC1 ZINC001301764145 1066704794 /nfs/dbraw/zinc/70/47/94/1066704794.db2.gz IOOAWGDHSDYIFG-RDPSFJRHSA-N 1 1 496.700 3.131 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3cccc(F)c3)C[C@H]2C)CC1 ZINC001301764678 1066705193 /nfs/dbraw/zinc/70/51/93/1066705193.db2.gz JUZYGVRAWCLBKH-DNVFCKCGSA-N 1 1 486.636 3.171 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccsc4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001301764755 1066705905 /nfs/dbraw/zinc/70/59/05/1066705905.db2.gz KQAPEUKWZGPIIF-KNQAVFIVSA-N 1 1 458.676 3.355 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCc3ccc(F)cc3C)C[C@H]2C)CC1 ZINC001301764809 1066706084 /nfs/dbraw/zinc/70/60/84/1066706084.db2.gz LBWDKBUIRWPAOU-AUSIDOKSSA-N 1 1 456.610 3.081 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3Cl)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001301766264 1066707864 /nfs/dbraw/zinc/70/78/64/1066707864.db2.gz FAJZLWRWMPHGKO-KRWDZBQOSA-N 1 1 488.061 3.459 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001301766274 1066707880 /nfs/dbraw/zinc/70/78/80/1066707880.db2.gz FAJZLWRWMPHGKO-QGZVFWFLSA-N 1 1 488.061 3.459 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCC(F)(F)F)CC1 ZINC001301766851 1066708430 /nfs/dbraw/zinc/70/84/30/1066708430.db2.gz KBJWZNQEMHYHKE-UHFFFAOYSA-N 1 1 476.906 3.290 20 0 JGADMO COCCN(CC(C)C)c1nnc(-c2cccc3cccnc32)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301766787 1066708501 /nfs/dbraw/zinc/70/85/01/1066708501.db2.gz VFMSDRKXHQDNGZ-FQEVSTJZSA-N 1 1 452.603 3.323 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCCO[C@H]3C(C)(C)C)C[C@@H]2C)CC1 ZINC001301767156 1066708696 /nfs/dbraw/zinc/70/86/96/1066708696.db2.gz PMMDCBNKMLTBEH-FDHFVPJWSA-N 1 1 488.721 3.307 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301767255 1066709147 /nfs/dbraw/zinc/70/91/47/1066709147.db2.gz QBAOVFYSCPTBOA-CRAIPNDOSA-N 1 1 481.979 3.028 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCSCC(C)C)C[C@@H]2C)CC1 ZINC001301767214 1066709382 /nfs/dbraw/zinc/70/93/82/1066709382.db2.gz PTEJLQTVOUEEDA-CVDCTZTESA-N 1 1 485.702 3.027 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccccc3C)C[C@H]2C)CC1 ZINC001301767823 1066710316 /nfs/dbraw/zinc/71/03/16/1066710316.db2.gz RNCPJPMFWBVXOM-OFNKIYASSA-N 1 1 452.647 3.116 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccc4F)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001301767614 1066710382 /nfs/dbraw/zinc/71/03/82/1066710382.db2.gz REBJIMKJRCNBMP-JXFKEZNVSA-N 1 1 464.536 3.118 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccccc4C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301768607 1066711817 /nfs/dbraw/zinc/71/18/17/1066711817.db2.gz XQERNBOYQXITHS-JYFHCDHNSA-N 1 1 496.700 3.229 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCSc3ccccc3)C[C@H]2C)CC1 ZINC001301768387 1066711834 /nfs/dbraw/zinc/71/18/34/1066711834.db2.gz VVOIFBOKHBZHPT-DENIHFKCSA-N 1 1 470.687 3.357 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)cc3)C[C@@H]2C)CC1 ZINC001301768810 1066712255 /nfs/dbraw/zinc/71/22/55/1066712255.db2.gz YZYGUZCXQYVCMK-WMZHIEFXSA-N 1 1 470.637 3.237 20 0 JGADMO COCCN(CC(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001301772464 1066716034 /nfs/dbraw/zinc/71/60/34/1066716034.db2.gz IMAJHMMCBKOHFY-NHCUHLMSSA-N 1 1 465.683 3.416 20 0 JGADMO COCCN(CC(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001301772464 1066716045 /nfs/dbraw/zinc/71/60/45/1066716045.db2.gz IMAJHMMCBKOHFY-NHCUHLMSSA-N 1 1 465.683 3.416 20 0 JGADMO COCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001302220218 1066724207 /nfs/dbraw/zinc/72/42/07/1066724207.db2.gz MOTWNEDFBSFZDV-IRXDYDNUSA-N 1 1 494.434 3.052 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(C)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001301778089 1066725243 /nfs/dbraw/zinc/72/52/43/1066725243.db2.gz ONPUXUCAARLPRH-FQEVSTJZSA-N 1 1 453.587 3.410 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(C)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001301778089 1066725256 /nfs/dbraw/zinc/72/52/56/1066725256.db2.gz ONPUXUCAARLPRH-FQEVSTJZSA-N 1 1 453.587 3.410 20 0 JGADMO CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC001301794108 1066744064 /nfs/dbraw/zinc/74/40/64/1066744064.db2.gz AHYHWJAYBDUOPO-OAQYLSRUSA-N 1 1 454.619 3.032 20 0 JGADMO COCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301796780 1066748396 /nfs/dbraw/zinc/74/83/96/1066748396.db2.gz XECLYJLVZYBDSI-MRXNPFEDSA-N 1 1 451.974 3.321 20 0 JGADMO CC(=O)Nc1cccc(Cn2c(N(C)CC(C)(C)C[NH+]3CCOCC3)nnc2C(C)(C)C)c1 ZINC001301798817 1066750800 /nfs/dbraw/zinc/75/08/00/1066750800.db2.gz LTRWXMMDZQJPHF-UHFFFAOYSA-N 1 1 456.635 3.377 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccn3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001301804667 1066756540 /nfs/dbraw/zinc/75/65/40/1066756540.db2.gz XRJNKXWHLHJQRK-UHFFFAOYSA-N 1 1 453.635 3.488 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001301807083 1066760068 /nfs/dbraw/zinc/76/00/68/1066760068.db2.gz DEAVUCQJQYAIOE-UHFFFAOYSA-N 1 1 482.673 3.058 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001301807083 1066760076 /nfs/dbraw/zinc/76/00/76/1066760076.db2.gz DEAVUCQJQYAIOE-UHFFFAOYSA-N 1 1 482.673 3.058 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301807471 1066760830 /nfs/dbraw/zinc/76/08/30/1066760830.db2.gz HHYTUFRSVXJLGM-ZGJBTBESSA-N 1 1 460.667 3.176 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@H]1CC[C@H](C)C1 ZINC001302241917 1066767980 /nfs/dbraw/zinc/76/79/80/1066767980.db2.gz CUMSVXZAUBAQDC-LRSLUSHPSA-N 1 1 463.667 3.233 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ccc(F)c(C)c1 ZINC001302242056 1066768396 /nfs/dbraw/zinc/76/83/96/1066768396.db2.gz DRFXDRIGWOISBM-GMAHTHKFSA-N 1 1 489.636 3.293 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301813603 1066768602 /nfs/dbraw/zinc/76/86/02/1066768602.db2.gz MPRXYNYNEPGNNS-DHIUTWEWSA-N 1 1 495.672 3.373 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCn2cc[nH+]c2C)C1 ZINC001301817005 1066774003 /nfs/dbraw/zinc/77/40/03/1066774003.db2.gz XHEJEZZGODMSQR-IBGZPJMESA-N 1 1 472.391 3.018 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cc[nH+]c2C)C1 ZINC001301818091 1066777483 /nfs/dbraw/zinc/77/74/83/1066777483.db2.gz JJZGPUGRMIHOPO-HXUWFJFHSA-N 1 1 486.418 3.408 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2c(C)noc2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302247873 1066778994 /nfs/dbraw/zinc/77/89/94/1066778994.db2.gz HLNADLLKVCWXHS-TYPHKJRUSA-N 1 1 460.623 3.364 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302247890 1066779182 /nfs/dbraw/zinc/77/91/82/1066779182.db2.gz HUHYGEGJLQIPIC-IOGOZDDNSA-N 1 1 473.666 3.109 20 0 JGADMO COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301825503 1066788409 /nfs/dbraw/zinc/78/84/09/1066788409.db2.gz RPSCQFYGAXZGAZ-INIZCTEOSA-N 1 1 464.408 3.044 20 0 JGADMO COCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301825831 1066788898 /nfs/dbraw/zinc/78/88/98/1066788898.db2.gz VUCRGXFPPZZESU-LSDHHAIUSA-N 1 1 450.381 3.036 20 0 JGADMO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302253982 1066795367 /nfs/dbraw/zinc/79/53/67/1066795367.db2.gz PHIZPSOQFOFVKH-LJQANCHMSA-N 1 1 476.666 3.398 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301839388 1066810436 /nfs/dbraw/zinc/81/04/36/1066810436.db2.gz NUKBPJJNNWNXAB-IRXDYDNUSA-N 1 1 460.026 3.219 20 0 JGADMO COCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001301841100 1066812544 /nfs/dbraw/zinc/81/25/44/1066812544.db2.gz CPDFYMCGVLXRCM-FPOVZHCZSA-N 1 1 482.654 3.405 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301844503 1066817923 /nfs/dbraw/zinc/81/79/23/1066817923.db2.gz KEFKUIPXPWWYOD-IBGZPJMESA-N 1 1 456.610 3.377 20 0 JGADMO COCCn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001301845119 1066819131 /nfs/dbraw/zinc/81/91/31/1066819131.db2.gz YRRADXQCINVJTM-GBXCKJPGSA-N 1 1 467.618 3.065 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001301847239 1066821248 /nfs/dbraw/zinc/82/12/48/1066821248.db2.gz MVLZMMGBVGTMDR-HXUWFJFHSA-N 1 1 454.619 3.063 20 0 JGADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)[C@H](C)Sc2nncn2C)cc1 ZINC001302271440 1066829754 /nfs/dbraw/zinc/82/97/54/1066829754.db2.gz YMZCYNPIUGMZCW-BULFRSBZSA-N 1 1 451.596 3.089 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302271991 1066830669 /nfs/dbraw/zinc/83/06/69/1066830669.db2.gz FNQQZMUDRQINFH-HCXYKTFWSA-N 1 1 489.583 3.280 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301854038 1066832798 /nfs/dbraw/zinc/83/27/98/1066832798.db2.gz SHESNIVIJGHDMV-ICSRJNTNSA-N 1 1 474.053 3.466 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302274247 1066835871 /nfs/dbraw/zinc/83/58/71/1066835871.db2.gz USEUVEWNEOCQPV-WPVAHCMFSA-N 1 1 489.583 3.279 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302274246 1066835945 /nfs/dbraw/zinc/83/59/45/1066835945.db2.gz USEUVEWNEOCQPV-HVTWWXFQSA-N 1 1 489.583 3.279 20 0 JGADMO CC(C)(C)OC(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302274795 1066837871 /nfs/dbraw/zinc/83/78/71/1066837871.db2.gz GWIBDGWVEJATOQ-GOSISDBHSA-N 1 1 450.628 3.355 20 0 JGADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(I)c1O ZINC001302280740 1066848556 /nfs/dbraw/zinc/84/85/56/1066848556.db2.gz HBBRHUFCLUNBOL-GOEBONIOSA-N 1 1 450.320 3.495 20 0 JGADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(I)c1O ZINC001302280740 1066848564 /nfs/dbraw/zinc/84/85/64/1066848564.db2.gz HBBRHUFCLUNBOL-GOEBONIOSA-N 1 1 450.320 3.495 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC001302281711 1066850391 /nfs/dbraw/zinc/85/03/91/1066850391.db2.gz LQVFUBHAKOFQAV-GDBMZVCRSA-N 1 1 450.402 3.125 20 0 JGADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC001302281714 1066850445 /nfs/dbraw/zinc/85/04/45/1066850445.db2.gz LQVFUBHAKOFQAV-HOCLYGCPSA-N 1 1 450.402 3.125 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301864661 1066854220 /nfs/dbraw/zinc/85/42/20/1066854220.db2.gz LDXQMGGGTLOOHW-PABCKOPISA-N 1 1 460.667 3.240 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCC(C)C ZINC001302286430 1066858100 /nfs/dbraw/zinc/85/81/00/1066858100.db2.gz IFHUPWAOARPCBQ-UPVQGACJSA-N 1 1 476.710 3.433 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(SC)CC2)C[C@@H]1C ZINC001301874126 1066873940 /nfs/dbraw/zinc/87/39/40/1066873940.db2.gz FRBRULDVZDVESW-IBGZPJMESA-N 1 1 472.659 3.200 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(SC)CC2)C[C@@H]1C ZINC001301874126 1066873945 /nfs/dbraw/zinc/87/39/45/1066873945.db2.gz FRBRULDVZDVESW-IBGZPJMESA-N 1 1 472.659 3.200 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCCCO2)C[C@H]1C ZINC001301874143 1066874798 /nfs/dbraw/zinc/87/47/98/1066874798.db2.gz GDTCQVYCZMNMNQ-FYYLOGMGSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCCCO2)C[C@H]1C ZINC001301874143 1066874804 /nfs/dbraw/zinc/87/48/04/1066874804.db2.gz GDTCQVYCZMNMNQ-FYYLOGMGSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)c2ccccn2)CC1 ZINC001301874776 1066875592 /nfs/dbraw/zinc/87/55/92/1066875592.db2.gz OECRNNOCFIHHBU-UHFFFAOYSA-N 1 1 491.640 3.288 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C(C)C)CC2)C[C@@H]1C ZINC001301874515 1066875629 /nfs/dbraw/zinc/87/56/29/1066875629.db2.gz MMFKCQAYIXGLRI-IBGZPJMESA-N 1 1 489.064 3.455 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2CC(C)(C)c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC001301874895 1066875672 /nfs/dbraw/zinc/87/56/72/1066875672.db2.gz MJIZPSSBCRZDSB-IBGZPJMESA-N 1 1 457.619 3.307 20 0 JGADMO COCCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001301874592 1066875772 /nfs/dbraw/zinc/87/57/72/1066875772.db2.gz JXCYBSCHCHGINJ-PZJWPPBQSA-N 1 1 460.692 3.489 20 0 JGADMO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301875141 1066876461 /nfs/dbraw/zinc/87/64/61/1066876461.db2.gz RZRODVKNQFHNCK-NFBKMPQASA-N 1 1 497.688 3.036 20 0 JGADMO COCCN1CCN(c2nnc(C(C)C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001301875970 1066877516 /nfs/dbraw/zinc/87/75/16/1066877516.db2.gz SQORGCOZAHKHFJ-DEOSSOPVSA-N 1 1 454.663 3.472 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C2CC(C(C)(C)C)C2)C[C@H]1C ZINC001301876619 1066878159 /nfs/dbraw/zinc/87/81/59/1066878159.db2.gz GEHYNYXPAOFNIB-ZBHFBAOTSA-N 1 1 463.667 3.473 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001301876889 1066878655 /nfs/dbraw/zinc/87/86/55/1066878655.db2.gz IWEORVNPDQMIOI-IRXDYDNUSA-N 1 1 493.534 3.354 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)SC)CC1 ZINC001301877197 1066878790 /nfs/dbraw/zinc/87/87/90/1066878790.db2.gz KBVGXPHMPYKMOJ-QGZVFWFLSA-N 1 1 451.612 3.467 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001301877002 1066878807 /nfs/dbraw/zinc/87/88/07/1066878807.db2.gz JQPLPTJAAJQXKA-MOPGFXCFSA-N 1 1 484.576 3.166 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001301877966 1066881163 /nfs/dbraw/zinc/88/11/63/1066881163.db2.gz UCMMHGJGERFOLN-NFBKMPQASA-N 1 1 485.620 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCO2)C[C@@H]1C ZINC001301878218 1066881568 /nfs/dbraw/zinc/88/15/68/1066881568.db2.gz UYKIJSZHIVGWHO-BVSLBCMMSA-N 1 1 457.619 3.371 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCCO2)C[C@H]1C ZINC001301878217 1066881808 /nfs/dbraw/zinc/88/18/08/1066881808.db2.gz UYKIJSZHIVGWHO-BAGYTPMASA-N 1 1 457.619 3.371 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2ccccc2)C[C@H]1C ZINC001301878533 1066882226 /nfs/dbraw/zinc/88/22/26/1066882226.db2.gz XXMMVVJUOSAEIQ-DRLORSAXSA-N 1 1 471.646 3.279 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2(OC)CCC2)C[C@H]1C ZINC001301881920 1066888901 /nfs/dbraw/zinc/88/89/01/1066888901.db2.gz JBCCJAGXCVIPAR-QGZVFWFLSA-N 1 1 495.466 3.162 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCCO)C[C@H]1C ZINC001301882038 1066889127 /nfs/dbraw/zinc/88/91/27/1066889127.db2.gz KUEATPWWJXXIDY-MRXNPFEDSA-N 1 1 484.414 3.166 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nc(C)cs2)C[C@@H]1C ZINC001301882389 1066889542 /nfs/dbraw/zinc/88/95/42/1066889542.db2.gz OSVUAXJRRQMQRM-AWEZNQCLSA-N 1 1 480.436 3.006 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001301882354 1066889924 /nfs/dbraw/zinc/88/99/24/1066889924.db2.gz ODGOOTLKQBCGSL-MOPGFXCFSA-N 1 1 475.037 3.014 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2[C@@H]2C[C@H]2CF)C[C@H]1C ZINC001301884362 1066892920 /nfs/dbraw/zinc/89/29/20/1066892920.db2.gz ALGWJVNWCVKMQO-ZRGWGRIASA-N 1 1 482.398 3.404 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C)CCOCC2)CC1 ZINC001301885778 1066894788 /nfs/dbraw/zinc/89/47/88/1066894788.db2.gz MQRZSXKEZBDSDL-UHFFFAOYSA-N 1 1 484.464 3.354 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCC(F)(F)F)CC1 ZINC001301885865 1066894821 /nfs/dbraw/zinc/89/48/21/1066894821.db2.gz NYOJTELCRDXNMD-UHFFFAOYSA-N 1 1 457.497 3.073 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(C)(C)COC)CC1 ZINC001301886065 1066895871 /nfs/dbraw/zinc/89/58/71/1066895871.db2.gz QYQVHPKOHTUUCB-UHFFFAOYSA-N 1 1 496.450 3.157 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1C ZINC001301886361 1066897375 /nfs/dbraw/zinc/89/73/75/1066897375.db2.gz WHQIJBUPRGLSIO-VWKPWSFCSA-N 1 1 498.491 3.477 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCOc2ccc(Cl)cn2)C[C@H]1C ZINC001301886723 1066898373 /nfs/dbraw/zinc/89/83/73/1066898373.db2.gz ZSVBBKGUVLUMHX-GOSISDBHSA-N 1 1 487.004 3.238 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001301887293 1066900429 /nfs/dbraw/zinc/90/04/29/1066900429.db2.gz IHNKQVKDQXBBLV-HNNXBMFYSA-N 1 1 462.023 3.331 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)N2CCCCC2)C[C@@H]1C ZINC001301887351 1066900743 /nfs/dbraw/zinc/90/07/43/1066900743.db2.gz JEIQJGNSZLXFET-SFHVURJKSA-N 1 1 493.027 3.297 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001301887305 1066900902 /nfs/dbraw/zinc/90/09/02/1066900902.db2.gz IMXIVSVBPWCGOX-CTNGQTDRSA-N 1 1 463.026 3.213 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)C[C@H]1C ZINC001301887987 1066902111 /nfs/dbraw/zinc/90/21/11/1066902111.db2.gz LBKNEPODVDNEGX-IBVKSMDESA-N 1 1 471.646 3.205 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)C[C@H]1C ZINC001301887986 1066902219 /nfs/dbraw/zinc/90/22/19/1066902219.db2.gz LBKNEPODVDNEGX-FQRUVTKNSA-N 1 1 471.646 3.205 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001301888498 1066904374 /nfs/dbraw/zinc/90/43/74/1066904374.db2.gz QYSBOMWZRPFXJM-HSZRJFAPSA-N 1 1 466.001 3.447 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CC[N@H+](C)C(C)C ZINC001302311906 1066906238 /nfs/dbraw/zinc/90/62/38/1066906238.db2.gz OJJVRIALERLREY-XWGVYQGASA-N 1 1 470.662 3.053 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CC[N@@H+](C)C(C)C ZINC001302311906 1066906252 /nfs/dbraw/zinc/90/62/52/1066906252.db2.gz OJJVRIALERLREY-XWGVYQGASA-N 1 1 470.662 3.053 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2OCCC2(C)C)CC1 ZINC001301889267 1066906774 /nfs/dbraw/zinc/90/67/74/1066906774.db2.gz YWIWQZBFKWAQCH-HXUWFJFHSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCCC2=O)C[C@H]1C ZINC001301889447 1066907288 /nfs/dbraw/zinc/90/72/88/1066907288.db2.gz YURJIHHDQVTYIH-LJQANCHMSA-N 1 1 475.037 3.158 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001301889469 1066907499 /nfs/dbraw/zinc/90/74/99/1066907499.db2.gz ZNAAOTMOEGIBNK-PXNSSMCTSA-N 1 1 458.632 3.368 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001302312538 1066907963 /nfs/dbraw/zinc/90/79/63/1066907963.db2.gz VPCOKWVVTVNNCH-BVSLBCMMSA-N 1 1 476.691 3.145 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)OC)C[C@H]1C ZINC001301889801 1066908762 /nfs/dbraw/zinc/90/87/62/1066908762.db2.gz CNAYHKYZZYNXOM-MRXNPFEDSA-N 1 1 466.424 3.290 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001301890994 1066910904 /nfs/dbraw/zinc/91/09/04/1066910904.db2.gz NQSDFBGWOONZRR-JTHBVZDNSA-N 1 1 457.619 3.173 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001301890922 1066910972 /nfs/dbraw/zinc/91/09/72/1066910972.db2.gz MNKHIZGORUMTKC-QFIPXVFZSA-N 1 1 470.662 3.233 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(CC3CCCC3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001301891201 1066911285 /nfs/dbraw/zinc/91/12/85/1066911285.db2.gz TXBLRBAHNLQIQF-UHFFFAOYSA-N 1 1 452.647 3.495 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCn1cc[nH+]c1C ZINC001302317226 1066914951 /nfs/dbraw/zinc/91/49/51/1066914951.db2.gz VGOYWDWAEFDPRY-SKPFHBQLSA-N 1 1 460.623 3.239 20 0 JGADMO CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302320089 1066916554 /nfs/dbraw/zinc/91/65/54/1066916554.db2.gz CJDXHCJMYZJTAH-KATKFWMUSA-N 1 1 473.687 3.432 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001301895895 1066917133 /nfs/dbraw/zinc/91/71/33/1066917133.db2.gz BSXJMVDJSBJZKA-KRWDZBQOSA-N 1 1 456.978 3.207 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001301895896 1066917469 /nfs/dbraw/zinc/91/74/69/1066917469.db2.gz BSXJMVDJSBJZKA-QGZVFWFLSA-N 1 1 456.978 3.207 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001301896022 1066917775 /nfs/dbraw/zinc/91/77/75/1066917775.db2.gz CIWKENKBAWDIDN-IBGZPJMESA-N 1 1 475.037 3.158 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301896016 1066917888 /nfs/dbraw/zinc/91/78/88/1066917888.db2.gz CGPYKAKPBVUVOW-UXHICEINSA-N 1 1 461.054 3.487 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001301896078 1066918132 /nfs/dbraw/zinc/91/81/32/1066918132.db2.gz FADZFBHPEUAHNU-ZWKOTPCHSA-N 1 1 484.542 3.125 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCCOc2ccc(C)cc2)C[C@H]1C ZINC001301896193 1066918643 /nfs/dbraw/zinc/91/86/43/1066918643.db2.gz PDWIUXCGPDXBII-OAQYLSRUSA-N 1 1 450.587 3.275 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(O)c2ccsc2)C[C@H]1C ZINC001301896277 1066918772 /nfs/dbraw/zinc/91/87/72/1066918772.db2.gz IAJJLNPGHOJODN-HOYKHHGWSA-N 1 1 471.627 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)Oc2cccc(F)c2)C[C@@H]1C ZINC001301896388 1066919573 /nfs/dbraw/zinc/91/95/73/1066919573.db2.gz SGGFLPDRQCZVJO-OALUTQOASA-N 1 1 456.566 3.047 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001301896437 1066919603 /nfs/dbraw/zinc/91/96/03/1066919603.db2.gz JVFGKMCPIOFSOB-RBBKRZOGSA-N 1 1 452.603 3.306 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)c2nccs2)C[C@@H]1C ZINC001301896302 1066919632 /nfs/dbraw/zinc/91/96/32/1066919632.db2.gz IOWMZSCPQONOTQ-ROUUACIJSA-N 1 1 456.616 3.371 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)NC2CCCCC2)C[C@H]1C ZINC001301896504 1066919724 /nfs/dbraw/zinc/91/97/24/1066919724.db2.gz LTULGCBSAIGQOZ-LJQANCHMSA-N 1 1 472.609 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC001301896540 1066920014 /nfs/dbraw/zinc/92/00/14/1066920014.db2.gz UMAJQKBPPJLFJC-KRWDZBQOSA-N 1 1 456.978 3.207 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CCc2cc(Br)ccc2F)CC1 ZINC001301896529 1066920209 /nfs/dbraw/zinc/92/02/09/1066920209.db2.gz UCQKPHGBFSARFL-UHFFFAOYSA-N 1 1 491.409 3.196 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2csc([C@H](C)OC)n2)C[C@H]1C ZINC001301896654 1066920233 /nfs/dbraw/zinc/92/02/33/1066920233.db2.gz NTDZREZCAUKMIC-SJORKVTESA-N 1 1 474.606 3.453 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2Cc2csc([C@H](C)OC)n2)CC1 ZINC001301896657 1066920328 /nfs/dbraw/zinc/92/03/28/1066920328.db2.gz OAAWNZPXEWFXRG-SFHVURJKSA-N 1 1 456.616 3.234 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CC3)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001301899918 1066924837 /nfs/dbraw/zinc/92/48/37/1066924837.db2.gz HUZMCJJGFKLPCH-HNNXBMFYSA-N 1 1 466.399 3.457 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001301900424 1066925228 /nfs/dbraw/zinc/92/52/28/1066925228.db2.gz LGMXNRMMMFAKMI-HNNXBMFYSA-N 1 1 481.548 3.329 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CC3)n2CCc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC001301900786 1066926127 /nfs/dbraw/zinc/92/61/27/1066926127.db2.gz NXAJCSDKGFQPJI-INIZCTEOSA-N 1 1 478.435 3.326 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001301903031 1066928586 /nfs/dbraw/zinc/92/85/86/1066928586.db2.gz ZXESJEJGJBYAEM-NRFANRHFSA-N 1 1 499.660 3.064 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001301903287 1066928916 /nfs/dbraw/zinc/92/89/16/1066928916.db2.gz WPGBJLNIBODJKF-KDOFPFPSSA-N 1 1 481.428 3.076 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2cc(Br)ccc2F)CC1 ZINC001301906752 1066931064 /nfs/dbraw/zinc/93/10/64/1066931064.db2.gz FSZONULOZZBBHQ-UHFFFAOYSA-N 1 1 466.399 3.458 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301906719 1066931266 /nfs/dbraw/zinc/93/12/66/1066931266.db2.gz FNHWGYRVHJTITA-MOPGFXCFSA-N 1 1 464.655 3.206 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001301907483 1066931842 /nfs/dbraw/zinc/93/18/42/1066931842.db2.gz NLXUGMOWJFDZQE-UTKZUKDTSA-N 1 1 462.589 3.284 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCCC3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001301907876 1066932099 /nfs/dbraw/zinc/93/20/99/1066932099.db2.gz RFFIYABAYPSDEF-KRWDZBQOSA-N 1 1 482.551 3.477 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001301908896 1066932792 /nfs/dbraw/zinc/93/27/92/1066932792.db2.gz KIOBRASDTCFSES-IEBWSBKVSA-N 1 1 467.536 3.200 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001301908891 1066933002 /nfs/dbraw/zinc/93/30/02/1066933002.db2.gz KGOMIBBXJJVHDO-UHFFFAOYSA-N 1 1 455.525 3.424 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001301909720 1066933520 /nfs/dbraw/zinc/93/35/20/1066933520.db2.gz FZFODRLRRARBJD-LJQANCHMSA-N 1 1 463.070 3.267 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccccc2-c2cnn(C)c2)C[C@H]1C ZINC001301909680 1066933543 /nfs/dbraw/zinc/93/35/43/1066933543.db2.gz DQTMZLPKEZVUMX-HXUWFJFHSA-N 1 1 451.619 3.082 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C)CCOCC2)C[C@@H]1C ZINC001301909729 1066933607 /nfs/dbraw/zinc/93/36/07/1066933607.db2.gz GCTKZHUWIRHINM-IBGZPJMESA-N 1 1 462.038 3.496 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSC(C)C)CC1 ZINC001301910491 1066935231 /nfs/dbraw/zinc/93/52/31/1066935231.db2.gz DBTNMTOMVXIVDK-FQEVSTJZSA-N 1 1 496.722 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)cc2C(F)(F)F)C[C@@H]1C ZINC001301911629 1066937482 /nfs/dbraw/zinc/93/74/82/1066937482.db2.gz IJULDVOEIDVONN-PKOBYXMFSA-N 1 1 497.562 3.405 20 0 JGADMO CC(C)(Cn1c(-c2cnccn2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302338567 1066937521 /nfs/dbraw/zinc/93/75/21/1066937521.db2.gz NLTMWGSOYUSTDB-UHFFFAOYSA-N 1 1 453.513 3.015 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001301911968 1066938402 /nfs/dbraw/zinc/93/84/02/1066938402.db2.gz JABYNOZOBJLWHK-OIBXWCBGSA-N 1 1 474.625 3.119 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Cc2ccc(OC)cc2)C[C@H]1C ZINC001301911962 1066938469 /nfs/dbraw/zinc/93/84/69/1066938469.db2.gz IVCPDOGGMUKHOC-QZNHQXDQSA-N 1 1 471.646 3.216 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001301912584 1066939545 /nfs/dbraw/zinc/93/95/45/1066939545.db2.gz KTXNMJGUUZTWKY-PUHATCMVSA-N 1 1 462.683 3.187 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOc2ccccc2C)C[C@@H]1C ZINC001301912649 1066939971 /nfs/dbraw/zinc/93/99/71/1066939971.db2.gz LVDZEFPFDBZCSB-FCHUYYIVSA-N 1 1 457.619 3.107 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301913584 1066941697 /nfs/dbraw/zinc/94/16/97/1066941697.db2.gz VHMUCAVNWZPYCJ-RTWAWAEBSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301913295 1066941939 /nfs/dbraw/zinc/94/19/39/1066941939.db2.gz MUDUQELNUXKNBQ-HBMCJLEFSA-N 1 1 494.681 3.180 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001301913715 1066942614 /nfs/dbraw/zinc/94/26/14/1066942614.db2.gz XJPPKYLYLWUVMA-LJQANCHMSA-N 1 1 456.635 3.225 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001301913714 1066942662 /nfs/dbraw/zinc/94/26/62/1066942662.db2.gz XJPPKYLYLWUVMA-IBGZPJMESA-N 1 1 456.635 3.225 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2ccccc2F)C[C@@H]1C ZINC001301914993 1066944296 /nfs/dbraw/zinc/94/42/96/1066944296.db2.gz RNJFYCKYBDPYBW-IPJJNNNSSA-N 1 1 461.582 3.283 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cc(Br)ccc2F)CC1 ZINC001301915109 1066945006 /nfs/dbraw/zinc/94/50/06/1066945006.db2.gz SBXYLJDHJVTWAJ-GOSISDBHSA-N 1 1 496.425 3.085 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301918433 1066948934 /nfs/dbraw/zinc/94/89/34/1066948934.db2.gz BUGRBHJKKCYERM-LEWJYISDSA-N 1 1 475.081 3.411 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301918433 1066948939 /nfs/dbraw/zinc/94/89/39/1066948939.db2.gz BUGRBHJKKCYERM-LEWJYISDSA-N 1 1 475.081 3.411 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301918435 1066948988 /nfs/dbraw/zinc/94/89/88/1066948988.db2.gz BUGRBHJKKCYERM-RTWAWAEBSA-N 1 1 475.081 3.411 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301918435 1066948995 /nfs/dbraw/zinc/94/89/95/1066948995.db2.gz BUGRBHJKKCYERM-RTWAWAEBSA-N 1 1 475.081 3.411 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001301918448 1066949067 /nfs/dbraw/zinc/94/90/67/1066949067.db2.gz CEKAARVMSAYAFS-NOZRDPDXSA-N 1 1 468.690 3.455 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301918434 1066949306 /nfs/dbraw/zinc/94/93/06/1066949306.db2.gz BUGRBHJKKCYERM-NHCUHLMSSA-N 1 1 475.081 3.411 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301918434 1066949314 /nfs/dbraw/zinc/94/93/14/1066949314.db2.gz BUGRBHJKKCYERM-NHCUHLMSSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCS2)C[C@H]1C ZINC001301918970 1066949581 /nfs/dbraw/zinc/94/95/81/1066949581.db2.gz LZNVCXQEGKVHQB-VQIMIIECSA-N 1 1 450.678 3.076 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301919564 1066950960 /nfs/dbraw/zinc/95/09/60/1066950960.db2.gz IHPZYJVNZOYLKL-NRFANRHFSA-N 1 1 458.626 3.041 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001301920415 1066952970 /nfs/dbraw/zinc/95/29/70/1066952970.db2.gz XXNBFRGJIZGQNJ-GOSISDBHSA-N 1 1 489.546 3.077 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920006 1066953125 /nfs/dbraw/zinc/95/31/25/1066953125.db2.gz LTVJSUMOAHQHAT-REWPJTCUSA-N 1 1 472.653 3.285 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920006 1066953135 /nfs/dbraw/zinc/95/31/35/1066953135.db2.gz LTVJSUMOAHQHAT-REWPJTCUSA-N 1 1 472.653 3.285 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302363134 1066953232 /nfs/dbraw/zinc/95/32/32/1066953232.db2.gz BVHKTMOKPBIWOL-UXHICEINSA-N 1 1 465.545 3.128 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301921250 1066954844 /nfs/dbraw/zinc/95/48/44/1066954844.db2.gz RXUBCMMHMSCKPV-FCHUYYIVSA-N 1 1 472.653 3.287 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302364471 1066955100 /nfs/dbraw/zinc/95/51/00/1066955100.db2.gz TVODDSKCLLFVJF-WBVHZDCISA-N 1 1 451.413 3.381 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001301921306 1066955496 /nfs/dbraw/zinc/95/54/96/1066955496.db2.gz SOEFRLCEUOJGHM-UUOWRZLLSA-N 1 1 473.618 3.134 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2c(C)noc2C)C[C@@H]1C ZINC001301921786 1066955806 /nfs/dbraw/zinc/95/58/06/1066955806.db2.gz VXGXLMBVOWFDSI-KRWDZBQOSA-N 1 1 456.566 3.012 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(COC)CCCCC2)CC1 ZINC001301921663 1066955873 /nfs/dbraw/zinc/95/58/73/1066955873.db2.gz UHPWZDFNGWKCLY-UHFFFAOYSA-N 1 1 459.610 3.373 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302366644 1066956076 /nfs/dbraw/zinc/95/60/76/1066956076.db2.gz FQLMRCRVDNNJRZ-HZPDHXFCSA-N 1 1 484.464 3.351 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301922724 1066956572 /nfs/dbraw/zinc/95/65/72/1066956572.db2.gz YNSQDERUFIUWAT-JRFVFWCSSA-N 1 1 468.690 3.455 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301922724 1066956577 /nfs/dbraw/zinc/95/65/77/1066956577.db2.gz YNSQDERUFIUWAT-JRFVFWCSSA-N 1 1 468.690 3.455 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302367641 1066956848 /nfs/dbraw/zinc/95/68/48/1066956848.db2.gz SETNNPDTNREVRX-QZTJIDSGSA-N 1 1 451.974 3.320 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[C@](C)(O)c2ccccc2)C[C@H]1C ZINC001301923007 1066957254 /nfs/dbraw/zinc/95/72/54/1066957254.db2.gz PCGJZFFWJNUMHJ-NLFFAJNJSA-N 1 1 469.655 3.385 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001302368482 1066957250 /nfs/dbraw/zinc/95/72/50/1066957250.db2.gz IPBJVCGRTURAHO-QGZVFWFLSA-N 1 1 495.441 3.098 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001302368482 1066957256 /nfs/dbraw/zinc/95/72/56/1066957256.db2.gz IPBJVCGRTURAHO-QGZVFWFLSA-N 1 1 495.441 3.098 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001302368482 1066957267 /nfs/dbraw/zinc/95/72/67/1066957267.db2.gz IPBJVCGRTURAHO-QGZVFWFLSA-N 1 1 495.441 3.098 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001301923566 1066957712 /nfs/dbraw/zinc/95/77/12/1066957712.db2.gz QDCMLDHOTBUWCA-RBBKRZOGSA-N 1 1 490.693 3.425 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001301926399 1066959574 /nfs/dbraw/zinc/95/95/74/1066959574.db2.gz FFCQCOLPSAYBFL-FGZHOGPDSA-N 1 1 455.647 3.425 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c(C)nn(C)c2C)C[C@@H]1C ZINC001301927238 1066961442 /nfs/dbraw/zinc/96/14/42/1066961442.db2.gz ABQDKILTOSUADE-FQEVSTJZSA-N 1 1 481.645 3.029 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302376395 1066961807 /nfs/dbraw/zinc/96/18/07/1066961807.db2.gz OOJLPZUGIKJNCH-SLFFLAALSA-N 1 1 462.639 3.102 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)c2ccco2)C[C@H]1C ZINC001301927434 1066961945 /nfs/dbraw/zinc/96/19/45/1066961945.db2.gz GABPWWGTYNXVGV-QFQXNSOFSA-N 1 1 483.613 3.132 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)OC)C[C@H]1C ZINC001301927377 1066962200 /nfs/dbraw/zinc/96/22/00/1066962200.db2.gz DRDSRTNUQWSALX-QGZVFWFLSA-N 1 1 451.999 3.092 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001301927563 1066962554 /nfs/dbraw/zinc/96/25/54/1066962554.db2.gz JJUFJFUDEYPCML-RDGATRHJSA-N 1 1 471.646 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)OC)C[C@@H]1C ZINC001301927774 1066964051 /nfs/dbraw/zinc/96/40/51/1066964051.db2.gz NNXYIJXDKUDIJE-KRWDZBQOSA-N 1 1 496.450 3.202 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001301928862 1066965616 /nfs/dbraw/zinc/96/56/16/1066965616.db2.gz DKSKBYSTEUWEEI-RBUKOAKNSA-N 1 1 482.398 3.371 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCS2)CC1 ZINC001301930471 1066968196 /nfs/dbraw/zinc/96/81/96/1066968196.db2.gz LSHNIPCDNPELIP-ZCNNSNEGSA-N 1 1 494.706 3.103 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nc(C)c(C)s2)C[C@@H]1C ZINC001301931128 1066968707 /nfs/dbraw/zinc/96/87/07/1066968707.db2.gz BHNJMKURVQUKLG-KRWDZBQOSA-N 1 1 486.642 3.144 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301932552 1066971326 /nfs/dbraw/zinc/97/13/26/1066971326.db2.gz YOHPCDHQOCBMCQ-UWHLTILDSA-N 1 1 462.683 3.064 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302392676 1066971891 /nfs/dbraw/zinc/97/18/91/1066971891.db2.gz RDRPTFQKKACZKH-ROUUACIJSA-N 1 1 451.974 3.200 20 0 JGADMO CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302392158 1066971995 /nfs/dbraw/zinc/97/19/95/1066971995.db2.gz KPHMPSPUHUAKLE-SFHVURJKSA-N 1 1 464.408 3.044 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1C ZINC001301933451 1066972629 /nfs/dbraw/zinc/97/26/29/1066972629.db2.gz NEBODIZENVLSMM-PWRODBHTSA-N 1 1 489.686 3.287 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(F)(F)Br)C[C@@H]1C ZINC001301933494 1066972679 /nfs/dbraw/zinc/97/26/79/1066972679.db2.gz OBITZKCESHPSIF-ARFHVFGLSA-N 1 1 494.425 3.341 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001301933458 1066972849 /nfs/dbraw/zinc/97/28/49/1066972849.db2.gz NHNKYJKRJQRLFT-CIAFKFPVSA-N 1 1 463.667 3.170 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001301933674 1066973064 /nfs/dbraw/zinc/97/30/64/1066973064.db2.gz QLLKSDVUPBBBRD-IYWMVGAKSA-N 1 1 483.748 3.202 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CSCCS2)C[C@@H]1C ZINC001301933675 1066973142 /nfs/dbraw/zinc/97/31/42/1066973142.db2.gz QLLKSDVUPBBBRD-MTQWCTHYSA-N 1 1 483.748 3.202 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2sc(C)nc2C)C[C@@H]1C ZINC001301933971 1066973769 /nfs/dbraw/zinc/97/37/69/1066973769.db2.gz SMMRHCPRDHGBFD-KRWDZBQOSA-N 1 1 486.642 3.144 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)SC)C[C@H]1C ZINC001301933787 1066973842 /nfs/dbraw/zinc/97/38/42/1066973842.db2.gz ROZFOVCCBPBVOA-GUDVDZBRSA-N 1 1 453.697 3.495 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)O)C[C@@H]1C ZINC001301934199 1066974368 /nfs/dbraw/zinc/97/43/68/1066974368.db2.gz VWJOUKJMSNFAGK-HNNXBMFYSA-N 1 1 472.417 3.092 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302400955 1066980862 /nfs/dbraw/zinc/98/08/62/1066980862.db2.gz HKZGUCFBLPCPRC-UHFFFAOYSA-N 1 1 475.037 3.014 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302400955 1066980873 /nfs/dbraw/zinc/98/08/73/1066980873.db2.gz HKZGUCFBLPCPRC-UHFFFAOYSA-N 1 1 475.037 3.014 20 0 JGADMO CO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C1 ZINC001302402155 1066982257 /nfs/dbraw/zinc/98/22/57/1066982257.db2.gz YDVKMRABTDLFFY-SFHVURJKSA-N 1 1 452.397 3.185 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302416596 1066999270 /nfs/dbraw/zinc/99/92/70/1066999270.db2.gz FSQVPKSYRARVLP-XMMPIXPASA-N 1 1 493.631 3.276 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001302417911 1067001238 /nfs/dbraw/zinc/00/12/38/1067001238.db2.gz BHQLBCJNURSOCK-RTBURBONSA-N 1 1 472.609 3.220 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1OC ZINC001302418242 1067002121 /nfs/dbraw/zinc/00/21/21/1067002121.db2.gz FLYBFCGBDUVUII-AJSBUHFISA-N 1 1 475.609 3.214 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCn2cc[nH+]c2C)C[C@@H]1OC ZINC001302419805 1067004933 /nfs/dbraw/zinc/00/49/33/1067004933.db2.gz QOFWISSXIXNNDZ-KDURUIRLSA-N 1 1 481.384 3.219 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001302422210 1067008757 /nfs/dbraw/zinc/00/87/57/1067008757.db2.gz VFKOCKLQNQNUEV-GOSISDBHSA-N 1 1 475.037 3.060 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001302422210 1067008763 /nfs/dbraw/zinc/00/87/63/1067008763.db2.gz VFKOCKLQNQNUEV-GOSISDBHSA-N 1 1 475.037 3.060 20 0 JGADMO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1OC ZINC001302425096 1067010132 /nfs/dbraw/zinc/01/01/32/1067010132.db2.gz ARBVLAOAGVJJDW-FCEUIQTBSA-N 1 1 459.660 3.461 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303958365 1067013009 /nfs/dbraw/zinc/01/30/09/1067013009.db2.gz CLSRJESJXJHQAC-GOSISDBHSA-N 1 1 457.623 3.499 20 0 JGADMO CC1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001303958820 1067013462 /nfs/dbraw/zinc/01/34/62/1067013462.db2.gz XYUYXHMXQAVGSU-NRFANRHFSA-N 1 1 489.686 3.212 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001303959842 1067014627 /nfs/dbraw/zinc/01/46/27/1067014627.db2.gz OVPSUGJBKISKOS-UHFFFAOYSA-N 1 1 475.659 3.086 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303960093 1067014854 /nfs/dbraw/zinc/01/48/54/1067014854.db2.gz QVDIMINFBSUAHS-WOJBJXKFSA-N 1 1 476.666 3.398 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(CC3CC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001303962515 1067016599 /nfs/dbraw/zinc/01/65/99/1067016599.db2.gz IVTMUJGRHJBGQD-UHFFFAOYSA-N 1 1 460.564 3.375 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302431311 1067019171 /nfs/dbraw/zinc/01/91/71/1067019171.db2.gz ITCPVXOSKSNEBU-OALUTQOASA-N 1 1 474.053 3.466 20 0 JGADMO CC1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CC(C)(C)O1 ZINC001303974995 1067023818 /nfs/dbraw/zinc/02/38/18/1067023818.db2.gz SCMKZAMDUNFNAS-SFHVURJKSA-N 1 1 477.600 3.388 20 0 JGADMO CC1(C)C[N@H+](CCn2c(-c3ccccc3Br)nnc2N2CCCOCC2)CCO1 ZINC001303979175 1067026681 /nfs/dbraw/zinc/02/66/81/1067026681.db2.gz BTMYDCLKIOPORO-UHFFFAOYSA-N 1 1 464.408 3.045 20 0 JGADMO CC1(C)C[N@@H+](CCn2c(-c3ccccc3Br)nnc2N2CCCOCC2)CCO1 ZINC001303979175 1067026696 /nfs/dbraw/zinc/02/66/96/1067026696.db2.gz BTMYDCLKIOPORO-UHFFFAOYSA-N 1 1 464.408 3.045 20 0 JGADMO CC(C)C(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001302434395 1067026726 /nfs/dbraw/zinc/02/67/26/1067026726.db2.gz OXDBYCFAJOZVIF-LJQANCHMSA-N 1 1 489.064 3.450 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001303979308 1067027493 /nfs/dbraw/zinc/02/74/93/1067027493.db2.gz FWXLBCQYSGIINM-RUZDIDTESA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001303979308 1067027509 /nfs/dbraw/zinc/02/75/09/1067027509.db2.gz FWXLBCQYSGIINM-RUZDIDTESA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303980194 1067027707 /nfs/dbraw/zinc/02/77/07/1067027707.db2.gz SGOCGHACGLTSCK-GOSISDBHSA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303980194 1067027723 /nfs/dbraw/zinc/02/77/23/1067027723.db2.gz SGOCGHACGLTSCK-GOSISDBHSA-N 1 1 474.675 3.253 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1 ZINC001304003807 1067046340 /nfs/dbraw/zinc/04/63/40/1067046340.db2.gz MDXWOWJIBWGOQM-KRWDZBQOSA-N 1 1 497.463 3.045 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001304010242 1067052030 /nfs/dbraw/zinc/05/20/30/1067052030.db2.gz HTUVCNHUDPDIHW-FYYLOGMGSA-N 1 1 495.672 3.289 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+](C)C(C)C ZINC001302451481 1067052659 /nfs/dbraw/zinc/05/26/59/1067052659.db2.gz HYRKLNIYHFFHJE-UHFFFAOYSA-N 1 1 471.469 3.318 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001304012123 1067055307 /nfs/dbraw/zinc/05/53/07/1067055307.db2.gz BKTNQZBMYSDRIZ-HKUYNNGSSA-N 1 1 474.631 3.109 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)c1C ZINC001304013790 1067057317 /nfs/dbraw/zinc/05/73/17/1067057317.db2.gz FLWUCJAPUDMUSI-KNQAVFIVSA-N 1 1 479.629 3.430 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC001304017236 1067060843 /nfs/dbraw/zinc/06/08/43/1067060843.db2.gz DGAKHOKGZMAEDK-LAUBAEHRSA-N 1 1 455.525 3.490 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001304021223 1067065207 /nfs/dbraw/zinc/06/52/07/1067065207.db2.gz XZSFBONESBHFEH-UYAOXDASSA-N 1 1 465.602 3.297 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+](C)C(C)C)c1C ZINC001304026380 1067073426 /nfs/dbraw/zinc/07/34/26/1067073426.db2.gz RUSWCSHIBLYOBU-SFTDATJTSA-N 1 1 477.675 3.389 20 0 JGADMO CC(C)C(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001302470671 1067074616 /nfs/dbraw/zinc/07/46/16/1067074616.db2.gz PBTUUXSIBQAORN-QHCPKHFHSA-N 1 1 484.645 3.119 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)c1C ZINC001304027750 1067074752 /nfs/dbraw/zinc/07/47/52/1067074752.db2.gz ZRMYECADOVIZKU-RLWLMLJZSA-N 1 1 471.646 3.497 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001304028880 1067076407 /nfs/dbraw/zinc/07/64/07/1067076407.db2.gz ISVZGEWKMDXEQS-RZUBCFFCSA-N 1 1 498.672 3.249 20 0 JGADMO CC1=C(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001304029789 1067077899 /nfs/dbraw/zinc/07/78/99/1067077899.db2.gz YDDPMUHQOPWPEW-WOJBJXKFSA-N 1 1 452.669 3.089 20 0 JGADMO CC(C)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302477064 1067078621 /nfs/dbraw/zinc/07/86/21/1067078621.db2.gz IUZIDRCYPGZIAA-UHFFFAOYSA-N 1 1 460.623 3.235 20 0 JGADMO CC(C)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302477064 1067078627 /nfs/dbraw/zinc/07/86/27/1067078627.db2.gz IUZIDRCYPGZIAA-UHFFFAOYSA-N 1 1 460.623 3.235 20 0 JGADMO CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001304031334 1067079466 /nfs/dbraw/zinc/07/94/66/1067079466.db2.gz FNAMRHDEOPURNT-IBGZPJMESA-N 1 1 452.422 3.382 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCOCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304031989 1067081082 /nfs/dbraw/zinc/08/10/82/1067081082.db2.gz YTXXMFQXDREFJT-VXKWHMMOSA-N 1 1 457.619 3.228 20 0 JGADMO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302485344 1067084500 /nfs/dbraw/zinc/08/45/00/1067084500.db2.gz JBFKNMQYDNGIPC-LJQANCHMSA-N 1 1 474.675 3.110 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302485913 1067085117 /nfs/dbraw/zinc/08/51/17/1067085117.db2.gz GJNLSRHGDIUMRL-RHGYRFJNSA-N 1 1 481.588 3.499 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302485913 1067085134 /nfs/dbraw/zinc/08/51/34/1067085134.db2.gz GJNLSRHGDIUMRL-RHGYRFJNSA-N 1 1 481.588 3.499 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302493078 1067092835 /nfs/dbraw/zinc/09/28/35/1067092835.db2.gz QGQVXOGHFZNPPZ-VWLOTQADSA-N 1 1 467.618 3.312 20 0 JGADMO Cc1nc(N2CCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)sc1C ZINC001304055215 1067095562 /nfs/dbraw/zinc/09/55/62/1067095562.db2.gz DSKGEKFIZDCWER-SFHVURJKSA-N 1 1 461.680 3.302 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302498485 1067096809 /nfs/dbraw/zinc/09/68/09/1067096809.db2.gz SSWGWNAEGASZOV-YKSBVNFPSA-N 1 1 462.038 3.088 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001302499589 1067098247 /nfs/dbraw/zinc/09/82/47/1067098247.db2.gz DHOKZXQVOHVCNX-RUZDIDTESA-N 1 1 452.578 3.132 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001302502939 1067102362 /nfs/dbraw/zinc/10/23/62/1067102362.db2.gz GYISVLHKZQMKIV-RTBURBONSA-N 1 1 453.635 3.200 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302503091 1067102427 /nfs/dbraw/zinc/10/24/27/1067102427.db2.gz KPLJKTWNYNIUQY-QFQXNSOFSA-N 1 1 471.646 3.082 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302503091 1067102430 /nfs/dbraw/zinc/10/24/30/1067102430.db2.gz KPLJKTWNYNIUQY-QFQXNSOFSA-N 1 1 471.646 3.082 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001302505024 1067106752 /nfs/dbraw/zinc/10/67/52/1067106752.db2.gz WBOUUCOIGDLFRY-NRFANRHFSA-N 1 1 490.656 3.244 20 0 JGADMO Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001304072262 1067116093 /nfs/dbraw/zinc/11/60/93/1067116093.db2.gz WXRMHFHOYWOVLG-LJQANCHMSA-N 1 1 458.676 3.222 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302510585 1067118611 /nfs/dbraw/zinc/11/86/11/1067118611.db2.gz MJYJGBCHCPQWNR-QNWVGRARSA-N 1 1 474.694 3.280 20 0 JGADMO CC(C)[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302514599 1067131338 /nfs/dbraw/zinc/13/13/38/1067131338.db2.gz DDPSHLDXLIKQJE-VQTJNVASSA-N 1 1 462.639 3.006 20 0 JGADMO Cc1c(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)cnn1C ZINC001304089032 1067132846 /nfs/dbraw/zinc/13/28/46/1067132846.db2.gz MWDRSNHRKHDLHS-NRFANRHFSA-N 1 1 498.676 3.333 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001302524486 1067145886 /nfs/dbraw/zinc/14/58/86/1067145886.db2.gz OSUCHIXPPXLQJQ-RXVVDRJESA-N 1 1 463.026 3.214 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCc1cnccn1)[NH+]1CCOCC1 ZINC001302524634 1067146614 /nfs/dbraw/zinc/14/66/14/1067146614.db2.gz HLJPVTVGAZTHDI-QHCPKHFHSA-N 1 1 484.048 3.348 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302525506 1067147860 /nfs/dbraw/zinc/14/78/60/1067147860.db2.gz NIAKIAPEEBOYML-MISYRCLQSA-N 1 1 466.552 3.255 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302525278 1067147882 /nfs/dbraw/zinc/14/78/82/1067147882.db2.gz RKOJSWVFCJSQBA-UXHICEINSA-N 1 1 478.682 3.327 20 0 JGADMO CSC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001302525409 1067147902 /nfs/dbraw/zinc/14/79/02/1067147902.db2.gz DXKBBPCWGRAFSL-JLAWEPINSA-N 1 1 469.721 3.023 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C)[NH+]1CCOCC1 ZINC001302525904 1067149310 /nfs/dbraw/zinc/14/93/10/1067149310.db2.gz PVOFJALWQRQWLW-HXUWFJFHSA-N 1 1 490.027 3.388 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001302526418 1067151125 /nfs/dbraw/zinc/15/11/25/1067151125.db2.gz VCDFFUDPHDJPSH-LAUBAEHRSA-N 1 1 465.614 3.446 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001302526417 1067151222 /nfs/dbraw/zinc/15/12/22/1067151222.db2.gz VCDFFUDPHDJPSH-DYESRHJHSA-N 1 1 465.614 3.446 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302527156 1067153027 /nfs/dbraw/zinc/15/30/27/1067153027.db2.gz ZBWPABULKIIFKN-OAQYLSRUSA-N 1 1 498.569 3.049 20 0 JGADMO CC(C)[C@H](Cn1c(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001302528873 1067157185 /nfs/dbraw/zinc/15/71/85/1067157185.db2.gz NNVGPBMPVVRKNY-AABGKKOBSA-N 1 1 478.682 3.282 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001302531668 1067160649 /nfs/dbraw/zinc/16/06/49/1067160649.db2.gz NKSIBJOTHUZSOQ-YFNKSVMNSA-N 1 1 498.672 3.142 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302531638 1067160721 /nfs/dbraw/zinc/16/07/21/1067160721.db2.gz MYKAABCCIMWONF-CEXWTWQISA-N 1 1 475.556 3.034 20 0 JGADMO CS[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302537091 1067169192 /nfs/dbraw/zinc/16/91/92/1067169192.db2.gz VPPNZZTWVMPQIC-WOJBJXKFSA-N 1 1 456.660 3.366 20 0 JGADMO CS[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001302548073 1067184082 /nfs/dbraw/zinc/18/40/82/1067184082.db2.gz MLFFWXIRVYGBAU-MSOLQXFVSA-N 1 1 477.700 3.411 20 0 JGADMO CS[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001302549547 1067186536 /nfs/dbraw/zinc/18/65/36/1067186536.db2.gz ZPJHUIJJFVEZSX-HZPDHXFCSA-N 1 1 497.507 3.487 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CCCn3cc[nH+]c3C)CC2)no1 ZINC001304146560 1067189993 /nfs/dbraw/zinc/18/99/93/1067189993.db2.gz HSBFFVNLHSKYGK-UHFFFAOYSA-N 1 1 468.606 3.157 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(C(C)(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC001302553763 1067191578 /nfs/dbraw/zinc/19/15/78/1067191578.db2.gz NMTRNKYSOZCFIM-XMMPIXPASA-N 1 1 473.691 3.333 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCCC(C)(C)C2)cn1 ZINC001302557146 1067195699 /nfs/dbraw/zinc/19/56/99/1067195699.db2.gz GXSVJHMWABBTKN-UHFFFAOYSA-N 1 1 468.650 3.072 20 0 JGADMO Cc1cccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304153771 1067201648 /nfs/dbraw/zinc/20/16/48/1067201648.db2.gz AXEGNMQKDKTRES-NJYVYQBISA-N 1 1 456.635 3.074 20 0 JGADMO Cc1cccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304153771 1067201653 /nfs/dbraw/zinc/20/16/53/1067201653.db2.gz AXEGNMQKDKTRES-NJYVYQBISA-N 1 1 456.635 3.074 20 0 JGADMO Cc1cc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(C)c1 ZINC001304161070 1067208451 /nfs/dbraw/zinc/20/84/51/1067208451.db2.gz WRBFIJWHWPOBRQ-HXUWFJFHSA-N 1 1 476.691 3.172 20 0 JGADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)c(C)c1 ZINC001304163902 1067210861 /nfs/dbraw/zinc/21/08/61/1067210861.db2.gz JZSKAXSFZVWIDE-JOCHJYFZSA-N 1 1 498.672 3.283 20 0 JGADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)c(C)c1 ZINC001304163902 1067210867 /nfs/dbraw/zinc/21/08/67/1067210867.db2.gz JZSKAXSFZVWIDE-JOCHJYFZSA-N 1 1 498.672 3.283 20 0 JGADMO CC(C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302573316 1067212810 /nfs/dbraw/zinc/21/28/10/1067212810.db2.gz SYNDPJHSIXVLET-UHFFFAOYSA-N 1 1 477.698 3.263 20 0 JGADMO CC(C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302573316 1067212817 /nfs/dbraw/zinc/21/28/17/1067212817.db2.gz SYNDPJHSIXVLET-UHFFFAOYSA-N 1 1 477.698 3.263 20 0 JGADMO CC(C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302573316 1067212826 /nfs/dbraw/zinc/21/28/26/1067212826.db2.gz SYNDPJHSIXVLET-UHFFFAOYSA-N 1 1 477.698 3.263 20 0 JGADMO O=C(C[C@H](c1ccccc1)N1CCOC1=O)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001304166433 1067212886 /nfs/dbraw/zinc/21/28/86/1067212886.db2.gz XICBCKNRLIZETD-XMMPIXPASA-N 1 1 451.567 3.321 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001304165610 1067212900 /nfs/dbraw/zinc/21/29/00/1067212900.db2.gz YYYPOALXJORDFY-UHFFFAOYSA-N 1 1 472.597 3.469 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001304167805 1067214298 /nfs/dbraw/zinc/21/42/98/1067214298.db2.gz SRLNMWUBFMSZOE-IFMALSPDSA-N 1 1 491.702 3.464 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304167805 1067214305 /nfs/dbraw/zinc/21/43/05/1067214305.db2.gz SRLNMWUBFMSZOE-IFMALSPDSA-N 1 1 491.702 3.464 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304168349 1067215082 /nfs/dbraw/zinc/21/50/82/1067215082.db2.gz FSZRSBJAGPBGGN-ISKFKSNPSA-N 1 1 471.646 3.303 20 0 JGADMO CS[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C(C)(C)C ZINC001302581259 1067219704 /nfs/dbraw/zinc/21/97/04/1067219704.db2.gz RKNRTILHNXYMOD-CTNGQTDRSA-N 1 1 475.707 3.232 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCC(=O)NC(C)(C)C)c1 ZINC001304172423 1067220607 /nfs/dbraw/zinc/22/06/07/1067220607.db2.gz YHCJQHHTJDZQKV-RTWAWAEBSA-N 1 1 468.646 3.452 20 0 JGADMO CS[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001302582346 1067221557 /nfs/dbraw/zinc/22/15/57/1067221557.db2.gz VAJCMUIPJGCGGT-GOSISDBHSA-N 1 1 489.690 3.250 20 0 JGADMO CS[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001302582346 1067221564 /nfs/dbraw/zinc/22/15/64/1067221564.db2.gz VAJCMUIPJGCGGT-GOSISDBHSA-N 1 1 489.690 3.250 20 0 JGADMO CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001302587814 1067224721 /nfs/dbraw/zinc/22/47/21/1067224721.db2.gz GCOLYQUGIUUKNB-LEWJYISDSA-N 1 1 458.676 3.200 20 0 JGADMO O=C(CS(=O)(=O)Cc1ccc(Br)cc1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001304176618 1067225647 /nfs/dbraw/zinc/22/56/47/1067225647.db2.gz QFJRBWXZYPMCFS-UHFFFAOYSA-N 1 1 452.374 3.388 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304177985 1067226942 /nfs/dbraw/zinc/22/69/42/1067226942.db2.gz BWBORDUEEFQKHN-QIJUGHKUSA-N 1 1 468.646 3.296 20 0 JGADMO CS[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCOC(C)C)CC1)C(C)(C)C ZINC001302590022 1067227155 /nfs/dbraw/zinc/22/71/55/1067227155.db2.gz DBJXTGBKNLVEMA-OAQYLSRUSA-N 1 1 477.723 3.464 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304178406 1067227804 /nfs/dbraw/zinc/22/78/04/1067227804.db2.gz IMDZHXLZNWOGIY-JTHBVZDNSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001304181250 1067229714 /nfs/dbraw/zinc/22/97/14/1067229714.db2.gz AQBDKYLJCMZHQH-OAQYLSRUSA-N 1 1 468.646 3.405 20 0 JGADMO CC(C)c1nnc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001302593968 1067232054 /nfs/dbraw/zinc/23/20/54/1067232054.db2.gz RVIQLEWGBCSIPA-IBGZPJMESA-N 1 1 486.642 3.484 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCSCC(C)C)c1 ZINC001304182771 1067232416 /nfs/dbraw/zinc/23/24/16/1067232416.db2.gz QXRJBUHTNYPLJX-NRFANRHFSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCSCC(C)C)c1 ZINC001304182771 1067232424 /nfs/dbraw/zinc/23/24/24/1067232424.db2.gz QXRJBUHTNYPLJX-NRFANRHFSA-N 1 1 459.660 3.384 20 0 JGADMO CC(C)c1nnc(N(C)CCOCc2ccccc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302594242 1067232911 /nfs/dbraw/zinc/23/29/11/1067232911.db2.gz BPLMRWUGJKMSTD-XMMPIXPASA-N 1 1 459.660 3.262 20 0 JGADMO C[NH+]1CCN(C2CCN(C(=O)c3cc(COc4c(Cl)cccc4Cl)on3)CC2)CC1 ZINC001302596770 1067233339 /nfs/dbraw/zinc/23/33/39/1067233339.db2.gz MCAUEKSGBUSIHZ-UHFFFAOYSA-N 1 1 453.370 3.412 20 0 JGADMO CC(C)[C@H]1CN(C(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001302600997 1067237505 /nfs/dbraw/zinc/23/75/05/1067237505.db2.gz RLBSYBQDQHVFER-HSZRJFAPSA-N 1 1 456.034 3.469 20 0 JGADMO CC(C)c1nnc(N(CCO)Cc2ccc(Br)s2)n1CC[N@@H+]1CC=CCC1 ZINC001302604874 1067240078 /nfs/dbraw/zinc/24/00/78/1067240078.db2.gz WXBOIOHMYVTWHM-UHFFFAOYSA-N 1 1 454.438 3.486 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCCCCO)n2CC[N@H+]2CCOC[C@H]2C)c2ccccc2n1 ZINC001304191840 1067242234 /nfs/dbraw/zinc/24/22/34/1067242234.db2.gz GUYQQFCDNPWVBS-HXUWFJFHSA-N 1 1 452.603 3.121 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCCCCO)n2CC[N@@H+]2CCOC[C@H]2C)c2ccccc2n1 ZINC001304191840 1067242238 /nfs/dbraw/zinc/24/22/38/1067242238.db2.gz GUYQQFCDNPWVBS-HXUWFJFHSA-N 1 1 452.603 3.121 20 0 JGADMO Cc1cc(C)nc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001304191906 1067242265 /nfs/dbraw/zinc/24/22/65/1067242265.db2.gz STYJIUMODGAUNN-UHFFFAOYSA-N 1 1 484.052 3.457 20 0 JGADMO Cc1cc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304194718 1067244167 /nfs/dbraw/zinc/24/41/67/1067244167.db2.gz BLCRKDIYHAAMLY-IBGZPJMESA-N 1 1 470.643 3.155 20 0 JGADMO Cc1cc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304194928 1067244573 /nfs/dbraw/zinc/24/45/73/1067244573.db2.gz FKAGFVSZAIPBFF-UHFFFAOYSA-N 1 1 479.629 3.003 20 0 JGADMO CC(C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302615135 1067249037 /nfs/dbraw/zinc/24/90/37/1067249037.db2.gz VCVYWPVPAZUIOZ-MOPGFXCFSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302615135 1067249040 /nfs/dbraw/zinc/24/90/40/1067249040.db2.gz VCVYWPVPAZUIOZ-MOPGFXCFSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302626954 1067257373 /nfs/dbraw/zinc/25/73/73/1067257373.db2.gz AMGRCLZEGKEAHX-HXUWFJFHSA-N 1 1 477.698 3.121 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302626954 1067257379 /nfs/dbraw/zinc/25/73/79/1067257379.db2.gz AMGRCLZEGKEAHX-HXUWFJFHSA-N 1 1 477.698 3.121 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302626954 1067257383 /nfs/dbraw/zinc/25/73/83/1067257383.db2.gz AMGRCLZEGKEAHX-HXUWFJFHSA-N 1 1 477.698 3.121 20 0 JGADMO CC(C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302628138 1067258609 /nfs/dbraw/zinc/25/86/09/1067258609.db2.gz OVBMAQKLKLQSRC-HXUWFJFHSA-N 1 1 483.082 3.123 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302628825 1067259086 /nfs/dbraw/zinc/25/90/86/1067259086.db2.gz JUMWPMOMTMAICW-LEWJYISDSA-N 1 1 478.682 3.332 20 0 JGADMO Cc1ccc(S(=O)(=O)NCC(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001304217704 1067259816 /nfs/dbraw/zinc/25/98/16/1067259816.db2.gz GPXUULKGDPVGRH-AHKZPQOWSA-N 1 1 477.630 3.448 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302635224 1067264516 /nfs/dbraw/zinc/26/45/16/1067264516.db2.gz QTOBFVNTBVNZSX-VXKWHMMOSA-N 1 1 484.645 3.120 20 0 JGADMO CC(C)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302635071 1067264579 /nfs/dbraw/zinc/26/45/79/1067264579.db2.gz OZKRAEHMSOZFAY-UHFFFAOYSA-N 1 1 477.698 3.169 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304232447 1067270068 /nfs/dbraw/zinc/27/00/68/1067270068.db2.gz QYGOBSOHYFZDAS-CJFMBICVSA-N 1 1 492.064 3.181 20 0 JGADMO CC(C)c1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302646846 1067275883 /nfs/dbraw/zinc/27/58/83/1067275883.db2.gz IEMPAOMUCZGHCE-GOSISDBHSA-N 1 1 467.540 3.130 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302653168 1067279308 /nfs/dbraw/zinc/27/93/08/1067279308.db2.gz VDFCGAJQDOYANR-GHTZIAJQSA-N 1 1 497.109 3.466 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302655988 1067284313 /nfs/dbraw/zinc/28/43/13/1067284313.db2.gz YIJGURQCYLKBLT-LJQANCHMSA-N 1 1 464.655 3.348 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302655988 1067284322 /nfs/dbraw/zinc/28/43/22/1067284322.db2.gz YIJGURQCYLKBLT-LJQANCHMSA-N 1 1 464.655 3.348 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304249215 1067284338 /nfs/dbraw/zinc/28/43/38/1067284338.db2.gz DWXAMQKQZHBXRF-VXKWHMMOSA-N 1 1 468.646 3.458 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304249217 1067284479 /nfs/dbraw/zinc/28/44/79/1067284479.db2.gz DWXAMQKQZHBXRF-YADHBBJMSA-N 1 1 468.646 3.458 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302658847 1067286753 /nfs/dbraw/zinc/28/67/53/1067286753.db2.gz DBPNNGRJPKJLDM-NRFANRHFSA-N 1 1 491.459 3.461 20 0 JGADMO Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001304260281 1067295036 /nfs/dbraw/zinc/29/50/36/1067295036.db2.gz PMDDBTMWEABDDX-KRWDZBQOSA-N 1 1 456.591 3.409 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302668349 1067295785 /nfs/dbraw/zinc/29/57/85/1067295785.db2.gz JVTUTEBBEIGXPO-OAQYLSRUSA-N 1 1 477.698 3.169 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302670748 1067296672 /nfs/dbraw/zinc/29/66/72/1067296672.db2.gz BGNIYMHFKRPCDT-WOJBJXKFSA-N 1 1 460.623 3.222 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302673382 1067298904 /nfs/dbraw/zinc/29/89/04/1067298904.db2.gz BYCOSPZYVUQLJM-PMACEKPBSA-N 1 1 464.655 3.084 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(Cc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1F ZINC001304267563 1067300125 /nfs/dbraw/zinc/30/01/25/1067300125.db2.gz TUYYTOVKRYRBCS-UHFFFAOYSA-N 1 1 493.631 3.452 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC001304267458 1067300195 /nfs/dbraw/zinc/30/01/95/1067300195.db2.gz QWBYKRYLSOYQLC-QUCCMNQESA-N 1 1 456.610 3.417 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CC(C)(C)O)c1 ZINC001304268679 1067302491 /nfs/dbraw/zinc/30/24/91/1067302491.db2.gz NRXHEVMIZVUGBD-AREMUKBSSA-N 1 1 471.646 3.361 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001304272727 1067308583 /nfs/dbraw/zinc/30/85/83/1067308583.db2.gz MTWPFGCVSXAXQF-IBGZPJMESA-N 1 1 475.659 3.006 20 0 JGADMO Cc1cc(CN(C)c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)no1 ZINC001304275558 1067312314 /nfs/dbraw/zinc/31/23/14/1067312314.db2.gz RZTNRWWXEXHBAO-VWLOTQADSA-N 1 1 468.602 3.288 20 0 JGADMO CSCc1cccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)c1 ZINC001302689851 1067314583 /nfs/dbraw/zinc/31/45/83/1067314583.db2.gz NAPCLSJLKAHWEP-GBXCKJPGSA-N 1 1 484.714 3.377 20 0 JGADMO CSCc1cccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)c1 ZINC001302689859 1067314703 /nfs/dbraw/zinc/31/47/03/1067314703.db2.gz NAPCLSJLKAHWEP-YKSBVNFPSA-N 1 1 484.714 3.377 20 0 JGADMO Cc1ccc([C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCCS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC001304276859 1067315966 /nfs/dbraw/zinc/31/59/66/1067315966.db2.gz ALGNXNISKJDBFI-XZOQPEGZSA-N 1 1 489.686 3.189 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001304278546 1067318047 /nfs/dbraw/zinc/31/80/47/1067318047.db2.gz SBHSJWDJVGNLFA-NJYVYQBISA-N 1 1 477.675 3.216 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)S[C@H](C)C2)[NH+](C)C)cc1 ZINC001304278507 1067318326 /nfs/dbraw/zinc/31/83/26/1067318326.db2.gz MBYBLIUVAIYKTK-UKAVVXHISA-N 1 1 477.700 3.122 20 0 JGADMO Cc1ccc(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccco3)[NH+](C)C)CC2)c1 ZINC001304278849 1067319227 /nfs/dbraw/zinc/31/92/27/1067319227.db2.gz XELNRLUAVOXHIW-QFIPXVFZSA-N 1 1 479.629 3.256 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304283850 1067324851 /nfs/dbraw/zinc/32/48/51/1067324851.db2.gz MTAFPVAYUKUBQS-KSEOMHKRSA-N 1 1 491.702 3.464 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001304284087 1067325441 /nfs/dbraw/zinc/32/54/41/1067325441.db2.gz YFHURENESRGDHB-JOCHJYFZSA-N 1 1 465.520 3.239 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001304284405 1067326478 /nfs/dbraw/zinc/32/64/78/1067326478.db2.gz ROCQJBYTTNTWPC-FQEVSTJZSA-N 1 1 456.635 3.309 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CCC[NH+]1CCOCC1 ZINC001302704762 1067327054 /nfs/dbraw/zinc/32/70/54/1067327054.db2.gz NKZWBGZAPHZFMI-GOSISDBHSA-N 1 1 462.664 3.456 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(Cc2csc(C)n2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302705426 1067327621 /nfs/dbraw/zinc/32/76/21/1067327621.db2.gz AHXWHLHVRPPTJH-QKLQHJQFSA-N 1 1 464.705 3.465 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302709334 1067331162 /nfs/dbraw/zinc/33/11/62/1067331162.db2.gz LZVSKMAUCFZJKC-IBGZPJMESA-N 1 1 463.623 3.439 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001302709334 1067331167 /nfs/dbraw/zinc/33/11/67/1067331167.db2.gz LZVSKMAUCFZJKC-IBGZPJMESA-N 1 1 463.623 3.439 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302709182 1067331258 /nfs/dbraw/zinc/33/12/58/1067331258.db2.gz KWWKYPSNYJGZIN-OTWHNJEPSA-N 1 1 492.715 3.101 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001304288668 1067332853 /nfs/dbraw/zinc/33/28/53/1067332853.db2.gz IKKHJCNQIYLWSV-RUZDIDTESA-N 1 1 472.703 3.442 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001302712664 1067333410 /nfs/dbraw/zinc/33/34/10/1067333410.db2.gz PLGXZNBGONWMRY-SJORKVTESA-N 1 1 454.604 3.277 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2COCCO2)c1 ZINC001304289075 1067333717 /nfs/dbraw/zinc/33/37/17/1067333717.db2.gz NIIDLWQNOLFMJU-OAQYLSRUSA-N 1 1 457.619 3.200 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC001304289899 1067336315 /nfs/dbraw/zinc/33/63/15/1067336315.db2.gz ZUPWDGSTSRTROL-QFIPXVFZSA-N 1 1 489.686 3.219 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1 ZINC001302723281 1067338508 /nfs/dbraw/zinc/33/85/08/1067338508.db2.gz MDVHUCVIULLYQM-QHCPKHFHSA-N 1 1 455.624 3.103 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC001302723884 1067339172 /nfs/dbraw/zinc/33/91/72/1067339172.db2.gz NSEWTWTWTOBFTE-QFIPXVFZSA-N 1 1 457.640 3.352 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302724113 1067339648 /nfs/dbraw/zinc/33/96/48/1067339648.db2.gz PDXPTAXDLRVDLF-AVRDEDQJSA-N 1 1 462.689 3.126 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304293244 1067342175 /nfs/dbraw/zinc/34/21/75/1067342175.db2.gz GZNJQAUJMCHDTN-LGKPFJOYSA-N 1 1 471.646 3.180 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)o1 ZINC001304294324 1067343309 /nfs/dbraw/zinc/34/33/09/1067343309.db2.gz OTKGQLJGHKRESL-ROUUACIJSA-N 1 1 471.627 3.163 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)o1 ZINC001304294324 1067343311 /nfs/dbraw/zinc/34/33/11/1067343311.db2.gz OTKGQLJGHKRESL-ROUUACIJSA-N 1 1 471.627 3.163 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001304294318 1067343389 /nfs/dbraw/zinc/34/33/89/1067343389.db2.gz ONNJNACCKCMYMS-HNAYVOBHSA-N 1 1 463.579 3.158 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001304294317 1067343436 /nfs/dbraw/zinc/34/34/36/1067343436.db2.gz ONNJNACCKCMYMS-DNVCBOLYSA-N 1 1 463.579 3.158 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001304294838 1067344015 /nfs/dbraw/zinc/34/40/15/1067344015.db2.gz XPKJZWGBEYXYGY-CTNGQTDRSA-N 1 1 459.660 3.384 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001302732513 1067346322 /nfs/dbraw/zinc/34/63/22/1067346322.db2.gz VXZFMWIZFUBCJJ-NJYVYQBISA-N 1 1 451.681 3.317 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC001304297590 1067346816 /nfs/dbraw/zinc/34/68/16/1067346816.db2.gz OFLDWXZRMRWNIJ-QZTJIDSGSA-N 1 1 477.606 3.375 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC001304297590 1067346828 /nfs/dbraw/zinc/34/68/28/1067346828.db2.gz OFLDWXZRMRWNIJ-QZTJIDSGSA-N 1 1 477.606 3.375 20 0 JGADMO Cc1ccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001304298776 1067348320 /nfs/dbraw/zinc/34/83/20/1067348320.db2.gz RIMVKNJTNRTKQS-SFHVURJKSA-N 1 1 492.690 3.217 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC001304298913 1067348706 /nfs/dbraw/zinc/34/87/06/1067348706.db2.gz VMYMVHAHBHGQJG-GOSISDBHSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC001304298913 1067348718 /nfs/dbraw/zinc/34/87/18/1067348718.db2.gz VMYMVHAHBHGQJG-GOSISDBHSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CCC[NH+]2CCOCC2)cc1Br ZINC001304302031 1067350625 /nfs/dbraw/zinc/35/06/25/1067350625.db2.gz HGBCIWHNKAMYKF-SFHVURJKSA-N 1 1 478.435 3.211 20 0 JGADMO CSCCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001302743964 1067353338 /nfs/dbraw/zinc/35/33/38/1067353338.db2.gz IJKJYNDMXGDKFV-NRFANRHFSA-N 1 1 474.650 3.360 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCNC(=O)C(C)C)cc1Br ZINC001304305799 1067354064 /nfs/dbraw/zinc/35/40/64/1067354064.db2.gz AFKWTZJBLBXYOM-IEBWSBKVSA-N 1 1 489.462 3.461 20 0 JGADMO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302760413 1067362676 /nfs/dbraw/zinc/36/26/76/1067362676.db2.gz GSAJLVPLMOXGOC-FPOVZHCZSA-N 1 1 451.681 3.173 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)o1 ZINC001304316290 1067364013 /nfs/dbraw/zinc/36/40/13/1067364013.db2.gz KPYQQEAHJIXGRM-UXHICEINSA-N 1 1 488.633 3.187 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001304318684 1067366123 /nfs/dbraw/zinc/36/61/23/1067366123.db2.gz ZFDTYAFIFBRNEN-HDICACEKSA-N 1 1 472.634 3.074 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCc2ccc(S(N)(=O)=O)cc2)o1 ZINC001304319436 1067366838 /nfs/dbraw/zinc/36/68/38/1067366838.db2.gz ZNLSYCUUJWCXEO-UHFFFAOYSA-N 1 1 486.642 3.047 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302771798 1067369303 /nfs/dbraw/zinc/36/93/03/1067369303.db2.gz CVMHLAZYYLOZLQ-SJORKVTESA-N 1 1 498.491 3.477 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302772122 1067370103 /nfs/dbraw/zinc/37/01/03/1067370103.db2.gz JVWRTJXNDOUAFG-WIYYLYMNSA-N 1 1 466.001 3.446 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001304322968 1067370582 /nfs/dbraw/zinc/37/05/82/1067370582.db2.gz PYJPTWUQQYGFCC-APWZRJJASA-N 1 1 489.462 3.450 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001304323101 1067370980 /nfs/dbraw/zinc/37/09/80/1067370980.db2.gz GHJLKGSPYDFZMK-SJLPKXTDSA-N 1 1 489.462 3.415 20 0 JGADMO CSCCCN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302782862 1067376655 /nfs/dbraw/zinc/37/66/55/1067376655.db2.gz HDPVRADZODYOAU-NRFANRHFSA-N 1 1 454.644 3.088 20 0 JGADMO CSCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302783849 1067377012 /nfs/dbraw/zinc/37/70/12/1067377012.db2.gz IVVYQCPBPALCGG-UHFFFAOYSA-N 1 1 461.632 3.016 20 0 JGADMO CSCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302783849 1067377018 /nfs/dbraw/zinc/37/70/18/1067377018.db2.gz IVVYQCPBPALCGG-UHFFFAOYSA-N 1 1 461.632 3.016 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001302785927 1067378366 /nfs/dbraw/zinc/37/83/66/1067378366.db2.gz BPHIHPQBIOVAQD-OAQYLSRUSA-N 1 1 478.037 3.483 20 0 JGADMO Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001304341616 1067386016 /nfs/dbraw/zinc/38/60/16/1067386016.db2.gz BBMBKWMOJXAOFE-OAQYLSRUSA-N 1 1 470.643 3.411 20 0 JGADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001302798480 1067387365 /nfs/dbraw/zinc/38/73/65/1067387365.db2.gz YDLVFWWNEVAJCB-CUYJMHBOSA-N 1 1 490.737 3.159 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC2CCN(CC[NH+](C)C)CC2)s1 ZINC001304346470 1067388818 /nfs/dbraw/zinc/38/88/18/1067388818.db2.gz RACZBSCXWZPYBS-NRFANRHFSA-N 1 1 460.692 3.452 20 0 JGADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807550 1067394837 /nfs/dbraw/zinc/39/48/37/1067394837.db2.gz RIBXRQSODQYCRT-SGNDLWITSA-N 1 1 490.737 3.258 20 0 JGADMO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001302807363 1067395145 /nfs/dbraw/zinc/39/51/45/1067395145.db2.gz DTSWESUHQZANQY-SFTDATJTSA-N 1 1 476.069 3.271 20 0 JGADMO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC001302813482 1067400915 /nfs/dbraw/zinc/40/09/15/1067400915.db2.gz YDMRJBDATCBSGH-NOZRDPDXSA-N 1 1 479.673 3.116 20 0 JGADMO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001302814616 1067401414 /nfs/dbraw/zinc/40/14/14/1067401414.db2.gz XXSQTNOFCCFXSM-NRSPTQNISA-N 1 1 456.660 3.472 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CCCCCO)n2C[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC001304374539 1067413399 /nfs/dbraw/zinc/41/33/99/1067413399.db2.gz FNNHMVGVQXXYQA-FQEVSTJZSA-N 1 1 465.602 3.205 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001304375490 1067415716 /nfs/dbraw/zinc/41/57/16/1067415716.db2.gz MWQQZMPDVWPUPO-QETWGEEDSA-N 1 1 472.609 3.178 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1C ZINC001304376364 1067416998 /nfs/dbraw/zinc/41/69/98/1067416998.db2.gz XIHXDWHXTVWQMX-OAQYLSRUSA-N 1 1 495.672 3.469 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302827863 1067418076 /nfs/dbraw/zinc/41/80/76/1067418076.db2.gz DNVYVSLCTYMMAV-XUVXKRRUSA-N 1 1 461.676 3.181 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302827863 1067418080 /nfs/dbraw/zinc/41/80/80/1067418080.db2.gz DNVYVSLCTYMMAV-XUVXKRRUSA-N 1 1 461.676 3.181 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001304379876 1067426390 /nfs/dbraw/zinc/42/63/90/1067426390.db2.gz VPPDXYWZODAAER-YYDVJCTNSA-N 1 1 468.646 3.476 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001304379875 1067426410 /nfs/dbraw/zinc/42/64/10/1067426410.db2.gz VPPDXYWZODAAER-SELNLUPBSA-N 1 1 468.646 3.476 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2([S@](C)=O)CC2)cc1C ZINC001304382350 1067431125 /nfs/dbraw/zinc/43/11/25/1067431125.db2.gz CULMADRHROCYAH-UMSFTDKQSA-N 1 1 486.686 3.369 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)C)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304383207 1067432403 /nfs/dbraw/zinc/43/24/03/1067432403.db2.gz IYEPSWOQYPYUHX-QHCPKHFHSA-N 1 1 497.688 3.179 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304383207 1067432406 /nfs/dbraw/zinc/43/24/06/1067432406.db2.gz IYEPSWOQYPYUHX-QHCPKHFHSA-N 1 1 497.688 3.179 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001304383261 1067432447 /nfs/dbraw/zinc/43/24/47/1067432447.db2.gz JYOOYYALWCHGPF-KNQAVFIVSA-N 1 1 495.672 3.326 20 0 JGADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1nn(C)cc1I ZINC001302851709 1067436539 /nfs/dbraw/zinc/43/65/39/1067436539.db2.gz HNYXLTNTYOYLHR-MRXNPFEDSA-N 1 1 452.340 3.151 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCCC(C)(C)C)cc1C ZINC001304385659 1067438438 /nfs/dbraw/zinc/43/84/38/1067438438.db2.gz ZLAOIVKCSUDHEB-NRFANRHFSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCCC(C)(C)C)cc1C ZINC001304385659 1067438441 /nfs/dbraw/zinc/43/84/41/1067438441.db2.gz ZLAOIVKCSUDHEB-NRFANRHFSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304385999 1067439079 /nfs/dbraw/zinc/43/90/79/1067439079.db2.gz CEKSPRUGKCMERN-PZJWPPBQSA-N 1 1 454.619 3.493 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304385998 1067439117 /nfs/dbraw/zinc/43/91/17/1067439117.db2.gz CEKSPRUGKCMERN-FPOVZHCZSA-N 1 1 454.619 3.493 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CC=CCC3)C2)nc1 ZINC001304386307 1067440470 /nfs/dbraw/zinc/44/04/70/1067440470.db2.gz DFKNZLSTKGBKNT-NRFANRHFSA-N 1 1 451.619 3.297 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C[C@@H]1F ZINC001302859792 1067442019 /nfs/dbraw/zinc/44/20/19/1067442019.db2.gz QDYNWEZDTCHEFS-AABGKKOBSA-N 1 1 482.645 3.203 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)C2)nc1 ZINC001304387554 1067443528 /nfs/dbraw/zinc/44/35/28/1067443528.db2.gz RVWOWLLVBGKMCO-YADHBBJMSA-N 1 1 483.661 3.461 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304388574 1067446563 /nfs/dbraw/zinc/44/65/63/1067446563.db2.gz PQFCOSMTQGDBRR-QFIPXVFZSA-N 1 1 477.613 3.080 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1cccc(Br)n1 ZINC001302865635 1067446666 /nfs/dbraw/zinc/44/66/66/1067446666.db2.gz AHIZBJGJHAORFN-MRXNPFEDSA-N 1 1 477.451 3.471 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001304389782 1067449443 /nfs/dbraw/zinc/44/94/43/1067449443.db2.gz QDQKWCXNAFTYCM-HXUWFJFHSA-N 1 1 464.618 3.006 20 0 JGADMO CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001302870110 1067449859 /nfs/dbraw/zinc/44/98/59/1067449859.db2.gz XZQMQUNOLCYRCN-CTNGQTDRSA-N 1 1 495.594 3.240 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001304393571 1067454198 /nfs/dbraw/zinc/45/41/98/1067454198.db2.gz SMXFXJUJTZHKLL-OAQYLSRUSA-N 1 1 481.645 3.249 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@@H+]2CCc3sccc3C2)cc1C ZINC001304395337 1067456985 /nfs/dbraw/zinc/45/69/85/1067456985.db2.gz CNQJJEYIZQSJJH-LJQANCHMSA-N 1 1 482.654 3.294 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@H+]2CCc3sccc3C2)cc1C ZINC001304395337 1067456987 /nfs/dbraw/zinc/45/69/87/1067456987.db2.gz CNQJJEYIZQSJJH-LJQANCHMSA-N 1 1 482.654 3.294 20 0 JGADMO Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC001304395683 1067457452 /nfs/dbraw/zinc/45/74/52/1067457452.db2.gz BONMGGSMWAUWHN-JOCHJYFZSA-N 1 1 498.672 3.273 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302877603 1067460116 /nfs/dbraw/zinc/46/01/16/1067460116.db2.gz XNRJJHOXTMVFOA-UHFFFAOYSA-N 1 1 468.621 3.410 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H](C)O1 ZINC001302879169 1067460966 /nfs/dbraw/zinc/46/09/66/1067460966.db2.gz LBCJEXQGRDJBMD-SOLBZPMBSA-N 1 1 451.974 3.198 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302880185 1067461505 /nfs/dbraw/zinc/46/15/05/1067461505.db2.gz PSJQPVNXUYAVCT-LADGPHEKSA-N 1 1 462.038 3.147 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302881308 1067463093 /nfs/dbraw/zinc/46/30/93/1067463093.db2.gz BQKQWQANEZHENF-ANSQWYIGSA-N 1 1 487.693 3.048 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304402924 1067464666 /nfs/dbraw/zinc/46/46/66/1067464666.db2.gz BNMIDRWGPDZLEX-PKTZIBPZSA-N 1 1 457.619 3.138 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CCC[NH+]2CCOCC2)cc1C ZINC001304403133 1067465352 /nfs/dbraw/zinc/46/53/52/1067465352.db2.gz ZGGYWYWWOITOGR-UHFFFAOYSA-N 1 1 457.619 3.059 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CC(F)(F)CO2)cc1C ZINC001304403838 1067466317 /nfs/dbraw/zinc/46/63/17/1067466317.db2.gz MFKOTUPDIATHHG-NRFANRHFSA-N 1 1 493.599 3.445 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CC(F)(F)CO2)cc1C ZINC001304403838 1067466320 /nfs/dbraw/zinc/46/63/20/1067466320.db2.gz MFKOTUPDIATHHG-NRFANRHFSA-N 1 1 493.599 3.445 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302890381 1067470129 /nfs/dbraw/zinc/47/01/29/1067470129.db2.gz USVRYRVBLQHUSW-FQEVSTJZSA-N 1 1 478.682 3.281 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302890381 1067470132 /nfs/dbraw/zinc/47/01/32/1067470132.db2.gz USVRYRVBLQHUSW-FQEVSTJZSA-N 1 1 478.682 3.281 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001302892086 1067471629 /nfs/dbraw/zinc/47/16/29/1067471629.db2.gz AKUOCIOYOHMUOL-NSHGMRRFSA-N 1 1 455.594 3.226 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC001304411002 1067478253 /nfs/dbraw/zinc/47/82/53/1067478253.db2.gz NLZPFMXRZAZDQE-VWLOTQADSA-N 1 1 484.689 3.489 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001304411389 1067479166 /nfs/dbraw/zinc/47/91/66/1067479166.db2.gz SWFMCVCJULDQRS-JTHBVZDNSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304412781 1067481813 /nfs/dbraw/zinc/48/18/13/1067481813.db2.gz NLJBJIRNIOTEEY-RBBKRZOGSA-N 1 1 468.646 3.296 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(Cc2ccc(F)cc2)n1CCN(C)CC(F)(F)F ZINC001302901070 1067484562 /nfs/dbraw/zinc/48/45/62/1067484562.db2.gz FCCIEZNRVJTMID-SFHVURJKSA-N 1 1 498.569 3.192 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCC2)C[C@H](C)O1 ZINC001302901495 1067485455 /nfs/dbraw/zinc/48/54/55/1067485455.db2.gz KGIDNGMGISMONQ-CALCHBBNSA-N 1 1 465.545 3.007 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCC2)C[C@H](C)O1 ZINC001302901495 1067485459 /nfs/dbraw/zinc/48/54/59/1067485459.db2.gz KGIDNGMGISMONQ-CALCHBBNSA-N 1 1 465.545 3.007 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2cccc(C3OCCO3)c2)C[C@H](C)O1 ZINC001302901497 1067485500 /nfs/dbraw/zinc/48/55/00/1067485500.db2.gz KGPOHPQHXZBLFA-KDURUIRLSA-N 1 1 457.619 3.215 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2cccc(C3OCCO3)c2)C[C@H](C)O1 ZINC001302901497 1067485505 /nfs/dbraw/zinc/48/55/05/1067485505.db2.gz KGPOHPQHXZBLFA-KDURUIRLSA-N 1 1 457.619 3.215 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CCCC(=O)NC2CC2)C[C@H](C)O1 ZINC001302901839 1067486047 /nfs/dbraw/zinc/48/60/47/1067486047.db2.gz RCOYXPUUWZNDCK-HDICACEKSA-N 1 1 475.037 3.203 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CCCC(=O)NC2CC2)C[C@H](C)O1 ZINC001302901839 1067486050 /nfs/dbraw/zinc/48/60/50/1067486050.db2.gz RCOYXPUUWZNDCK-HDICACEKSA-N 1 1 475.037 3.203 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001304415332 1067486192 /nfs/dbraw/zinc/48/61/92/1067486192.db2.gz BCLHXLTYAIMSAD-GMAHTHKFSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001304415330 1067486239 /nfs/dbraw/zinc/48/62/39/1067486239.db2.gz BCLHXLTYAIMSAD-GGAORHGYSA-N 1 1 489.686 3.362 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302902348 1067486572 /nfs/dbraw/zinc/48/65/72/1067486572.db2.gz FFEBEDGQZAIFPW-FQEVSTJZSA-N 1 1 482.673 3.210 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3F)n2CC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC001302905027 1067489029 /nfs/dbraw/zinc/48/90/29/1067489029.db2.gz DNVHMLXEEBAGLY-KDURUIRLSA-N 1 1 472.609 3.079 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3F)n2CC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC001302905027 1067489035 /nfs/dbraw/zinc/48/90/35/1067489035.db2.gz DNVHMLXEEBAGLY-KDURUIRLSA-N 1 1 472.609 3.079 20 0 JGADMO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904914 1067489054 /nfs/dbraw/zinc/48/90/54/1067489054.db2.gz DAUFHZCJSHAQSP-RZUBCFFCSA-N 1 1 455.651 3.006 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001304417000 1067489290 /nfs/dbraw/zinc/48/92/90/1067489290.db2.gz RVZVIMHCKPHSMP-KNQAVFIVSA-N 1 1 475.659 3.052 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCOc2ncccc2Cl)C[C@H](C)O1 ZINC001302905642 1067490307 /nfs/dbraw/zinc/49/03/07/1067490307.db2.gz SLQBXTZHWFCBAD-NSHGMRRFSA-N 1 1 479.025 3.193 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCOc2ncccc2Cl)C[C@H](C)O1 ZINC001302905642 1067490312 /nfs/dbraw/zinc/49/03/12/1067490312.db2.gz SLQBXTZHWFCBAD-NSHGMRRFSA-N 1 1 479.025 3.193 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(C)O)C[C@H](C)O1 ZINC001302906900 1067491801 /nfs/dbraw/zinc/49/18/01/1067491801.db2.gz AYUQVEHSEOTWKM-HDICACEKSA-N 1 1 466.026 3.217 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(C)O)C[C@H](C)O1 ZINC001302906900 1067491806 /nfs/dbraw/zinc/49/18/06/1067491806.db2.gz AYUQVEHSEOTWKM-HDICACEKSA-N 1 1 466.026 3.217 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC=CCC2)C[C@H](C)O1 ZINC001302907022 1067491867 /nfs/dbraw/zinc/49/18/67/1067491867.db2.gz DTPGWMMPLPEGJZ-ZCNNSNEGSA-N 1 1 472.659 3.171 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC=CCC2)C[C@H](C)O1 ZINC001302907022 1067491869 /nfs/dbraw/zinc/49/18/69/1067491869.db2.gz DTPGWMMPLPEGJZ-ZCNNSNEGSA-N 1 1 472.659 3.171 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CCOc3ccccc3)n2C[C@H]2CCC=CO2)C[C@H](C)O1 ZINC001302906878 1067491890 /nfs/dbraw/zinc/49/18/90/1067491890.db2.gz ACOQDVJFMJRDHH-FUPPJEDESA-N 1 1 455.603 3.138 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CCOc3ccccc3)n2C[C@H]2CCC=CO2)C[C@H](C)O1 ZINC001302906878 1067491894 /nfs/dbraw/zinc/49/18/94/1067491894.db2.gz ACOQDVJFMJRDHH-FUPPJEDESA-N 1 1 455.603 3.138 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302908015 1067492423 /nfs/dbraw/zinc/49/24/23/1067492423.db2.gz NTHCOUFYJMXJMU-VWLOTQADSA-N 1 1 473.687 3.380 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302908014 1067492464 /nfs/dbraw/zinc/49/24/64/1067492464.db2.gz NTHCOUFYJMXJMU-RUZDIDTESA-N 1 1 473.687 3.380 20 0 JGADMO Cc1nc([C@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCC[N@H+](C)C(C)C)CCO2)no1 ZINC001304418521 1067492713 /nfs/dbraw/zinc/49/27/13/1067492713.db2.gz BYXLFMCKRQATPU-OAQYLSRUSA-N 1 1 469.590 3.165 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccn3)n2CCC[C@H]2CCCCO2)C[C@H](C)O1 ZINC001302908219 1067492987 /nfs/dbraw/zinc/49/29/87/1067492987.db2.gz IVKXCXUSATUXIP-FUPPJEDESA-N 1 1 456.635 3.159 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccn3)n2CCC[C@H]2CCCCO2)C[C@H](C)O1 ZINC001302908219 1067492993 /nfs/dbraw/zinc/49/29/93/1067492993.db2.gz IVKXCXUSATUXIP-FUPPJEDESA-N 1 1 456.635 3.159 20 0 JGADMO CC(C)Cc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302908539 1067493504 /nfs/dbraw/zinc/49/35/04/1067493504.db2.gz SFAABPMKDJUHEK-QFIPXVFZSA-N 1 1 474.600 3.260 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)C[C@H](C)O1 ZINC001302908972 1067493979 /nfs/dbraw/zinc/49/39/79/1067493979.db2.gz ONPSVIFOFYUQMB-FBROZUCGSA-N 1 1 463.667 3.140 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)C[C@H](C)O1 ZINC001302908972 1067493980 /nfs/dbraw/zinc/49/39/80/1067493980.db2.gz ONPSVIFOFYUQMB-FBROZUCGSA-N 1 1 463.667 3.140 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2CCCOC(F)(F)F)C[C@H](C)O1 ZINC001302909732 1067495126 /nfs/dbraw/zinc/49/51/26/1067495126.db2.gz ZDNZZTNPUILANY-CALCHBBNSA-N 1 1 473.515 3.480 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2CCCOC(F)(F)F)C[C@H](C)O1 ZINC001302909732 1067495130 /nfs/dbraw/zinc/49/51/30/1067495130.db2.gz ZDNZZTNPUILANY-CALCHBBNSA-N 1 1 473.515 3.480 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302911488 1067497125 /nfs/dbraw/zinc/49/71/25/1067497125.db2.gz WOCLZZDWKKEFFT-ZYSHUDEJSA-N 1 1 461.010 3.189 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302915360 1067499461 /nfs/dbraw/zinc/49/94/61/1067499461.db2.gz VKPKKBCTSDQEMP-PMACEKPBSA-N 1 1 475.609 3.237 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302919588 1067501055 /nfs/dbraw/zinc/50/10/55/1067501055.db2.gz MRXWJZXMOAUFQO-VQTJNVASSA-N 1 1 455.651 3.314 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302920322 1067501684 /nfs/dbraw/zinc/50/16/84/1067501684.db2.gz SJJHZUDYGICBRJ-NJYVYQBISA-N 1 1 451.681 3.002 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302922199 1067502172 /nfs/dbraw/zinc/50/21/72/1067502172.db2.gz BDNGCXKVNPHILD-FYYLOGMGSA-N 1 1 488.702 3.001 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001304425416 1067502530 /nfs/dbraw/zinc/50/25/30/1067502530.db2.gz PMYUQTBOQBXDNL-QTYPKTMWSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001304425416 1067502534 /nfs/dbraw/zinc/50/25/34/1067502534.db2.gz PMYUQTBOQBXDNL-QTYPKTMWSA-N 1 1 459.660 3.387 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302922805 1067502792 /nfs/dbraw/zinc/50/27/92/1067502792.db2.gz JKSQXSHXSGVAPQ-RTBURBONSA-N 1 1 483.583 3.380 20 0 JGADMO FC(F)(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302925742 1067504644 /nfs/dbraw/zinc/50/46/44/1067504644.db2.gz UXKKBZQBKGDJAY-AWEZNQCLSA-N 1 1 492.752 3.019 20 0 JGADMO FC(F)(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302925742 1067504650 /nfs/dbraw/zinc/50/46/50/1067504650.db2.gz UXKKBZQBKGDJAY-AWEZNQCLSA-N 1 1 492.752 3.019 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302928218 1067505714 /nfs/dbraw/zinc/50/57/14/1067505714.db2.gz CUTXLQPVHZBVKX-JOCHJYFZSA-N 1 1 494.750 3.429 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302928271 1067505874 /nfs/dbraw/zinc/50/58/74/1067505874.db2.gz DNUHEENUUZOXNW-RTWAWAEBSA-N 1 1 462.683 3.203 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001302928771 1067506358 /nfs/dbraw/zinc/50/63/58/1067506358.db2.gz GQZQCJFUNSYKKO-QFIPXVFZSA-N 1 1 473.687 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001302928771 1067506370 /nfs/dbraw/zinc/50/63/70/1067506370.db2.gz GQZQCJFUNSYKKO-QFIPXVFZSA-N 1 1 473.687 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302931960 1067507415 /nfs/dbraw/zinc/50/74/15/1067507415.db2.gz QKAINZCOYFAWOB-UHFFFAOYSA-N 1 1 486.636 3.079 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302931960 1067507420 /nfs/dbraw/zinc/50/74/20/1067507420.db2.gz QKAINZCOYFAWOB-UHFFFAOYSA-N 1 1 486.636 3.079 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001304430427 1067508062 /nfs/dbraw/zinc/50/80/62/1067508062.db2.gz WLPIVLAWMMYYGE-UHFFFAOYSA-N 1 1 464.614 3.198 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001304430427 1067508067 /nfs/dbraw/zinc/50/80/67/1067508067.db2.gz WLPIVLAWMMYYGE-UHFFFAOYSA-N 1 1 464.614 3.198 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304432588 1067511042 /nfs/dbraw/zinc/51/10/42/1067511042.db2.gz ZFWWLBFKKRRKAB-NHCUHLMSSA-N 1 1 459.660 3.461 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001302938025 1067511665 /nfs/dbraw/zinc/51/16/65/1067511665.db2.gz PECRGXGRMXPREJ-XMMPIXPASA-N 1 1 487.737 3.123 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001302938024 1067511768 /nfs/dbraw/zinc/51/17/68/1067511768.db2.gz PECRGXGRMXPREJ-DEOSSOPVSA-N 1 1 487.737 3.123 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCN3CCOCC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001304433108 1067511948 /nfs/dbraw/zinc/51/19/48/1067511948.db2.gz CQGDEWUUGMSYQD-QFIPXVFZSA-N 1 1 472.703 3.379 20 0 JGADMO FC(F)(F)OCCCn1c(CCc2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001302942478 1067516053 /nfs/dbraw/zinc/51/60/53/1067516053.db2.gz CHUHIFNHSBNSIQ-FQEVSTJZSA-N 1 1 467.536 3.291 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001304439226 1067519769 /nfs/dbraw/zinc/51/97/69/1067519769.db2.gz VHQAVFRSJYVSHF-PZJWPPBQSA-N 1 1 456.660 3.276 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCOC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304440633 1067521515 /nfs/dbraw/zinc/52/15/15/1067521515.db2.gz KPPJXJRKIYUEKY-RBBKRZOGSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304441454 1067522180 /nfs/dbraw/zinc/52/21/80/1067522180.db2.gz VJJQXLNZNMLANZ-UNMCSNQZSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1cccc(C(=O)NCCn2c(N(C)CC(C)(C)C[NH+]3CCOCC3)nnc2C(C)(C)C)c1 ZINC001304442045 1067523047 /nfs/dbraw/zinc/52/30/47/1067523047.db2.gz FPPXQHNKMBKQKB-UHFFFAOYSA-N 1 1 470.662 3.109 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)n1CCC[N@@H+](C)C(C)C ZINC001302956388 1067528629 /nfs/dbraw/zinc/52/86/29/1067528629.db2.gz GURPJIRMQVSWDQ-XMMPIXPASA-N 1 1 481.689 3.134 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001304447679 1067528926 /nfs/dbraw/zinc/52/89/26/1067528926.db2.gz IAKNJYKMRHOMKF-UHFFFAOYSA-N 1 1 465.646 3.041 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001304449051 1067530649 /nfs/dbraw/zinc/53/06/49/1067530649.db2.gz ZUXCXZNQFZAILX-UHFFFAOYSA-N 1 1 490.656 3.058 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302961975 1067533358 /nfs/dbraw/zinc/53/33/58/1067533358.db2.gz RBEPPSLQWQBECA-QHCPKHFHSA-N 1 1 475.081 3.299 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001302966072 1067536277 /nfs/dbraw/zinc/53/62/77/1067536277.db2.gz YEMQYCTYRDKHMR-UHFFFAOYSA-N 1 1 496.681 3.376 20 0 JGADMO Fc1ccc(Cc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001302966569 1067536802 /nfs/dbraw/zinc/53/68/02/1067536802.db2.gz AQNXSOLABVPNTB-UHFFFAOYSA-N 1 1 484.517 3.292 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@]2(O)CCCC2(C)C)n1 ZINC001304460305 1067539775 /nfs/dbraw/zinc/53/97/75/1067539775.db2.gz RNUWELJNJGMTDM-VWLOTQADSA-N 1 1 456.635 3.137 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@]2(O)CCCC2(C)C)n1 ZINC001304460305 1067539786 /nfs/dbraw/zinc/53/97/86/1067539786.db2.gz RNUWELJNJGMTDM-VWLOTQADSA-N 1 1 456.635 3.137 20 0 JGADMO Cc1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)n1 ZINC001304462699 1067541017 /nfs/dbraw/zinc/54/10/17/1067541017.db2.gz ARAMFPSPSLIGPZ-SFHVURJKSA-N 1 1 450.509 3.194 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302975475 1067541748 /nfs/dbraw/zinc/54/17/48/1067541748.db2.gz KOYNPGWCNAVLDT-UXHICEINSA-N 1 1 478.682 3.327 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001304468497 1067547190 /nfs/dbraw/zinc/54/71/90/1067547190.db2.gz FVOVKOSUFIQBEY-UHFFFAOYSA-N 1 1 479.604 3.402 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC001304469100 1067547839 /nfs/dbraw/zinc/54/78/39/1067547839.db2.gz LIUGCJRAUNXAAQ-SFHVURJKSA-N 1 1 482.551 3.043 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC001304469099 1067547943 /nfs/dbraw/zinc/54/79/43/1067547943.db2.gz LIUGCJRAUNXAAQ-GOSISDBHSA-N 1 1 482.551 3.043 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC001302991844 1067553246 /nfs/dbraw/zinc/55/32/46/1067553246.db2.gz SMIZOZWYDBDRFG-XUZZJYLKSA-N 1 1 482.673 3.294 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[N@H+](C)C2CCCC2)n1 ZINC001304477839 1067556075 /nfs/dbraw/zinc/55/60/75/1067556075.db2.gz MTZJUFOSDMCIFJ-UHFFFAOYSA-N 1 1 453.635 3.218 20 0 JGADMO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304478359 1067557119 /nfs/dbraw/zinc/55/71/19/1067557119.db2.gz CMGHWDGMPRULHH-SFHVURJKSA-N 1 1 465.568 3.455 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001304478514 1067557280 /nfs/dbraw/zinc/55/72/80/1067557280.db2.gz VTWKQQPLNCETDP-OAQYLSRUSA-N 1 1 467.662 3.464 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001304478511 1067557348 /nfs/dbraw/zinc/55/73/48/1067557348.db2.gz VTWKQQPLNCETDP-NRFANRHFSA-N 1 1 467.662 3.464 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001304478805 1067557633 /nfs/dbraw/zinc/55/76/33/1067557633.db2.gz LWBNIJFRPKWHKB-RBBKRZOGSA-N 1 1 467.662 3.462 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C(=O)Cc4ccccc4F)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304478777 1067557781 /nfs/dbraw/zinc/55/77/81/1067557781.db2.gz ZPEKYSMCXKEMJF-UHFFFAOYSA-N 1 1 479.604 3.019 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[NH+](C[C@@H](O)COc4ccccc4)CC3)n2CCC(C)C)n1 ZINC001304479824 1067559433 /nfs/dbraw/zinc/55/94/33/1067559433.db2.gz CTHHHVIQRIEPRK-JOCHJYFZSA-N 1 1 464.614 3.257 20 0 JGADMO Cc1cccc(-c2nnc(N3CCO[C@@H](c4noc(C(C)C)n4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304481893 1067561349 /nfs/dbraw/zinc/56/13/49/1067561349.db2.gz HVSDBDQNDQVRQM-HXUWFJFHSA-N 1 1 468.606 3.463 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303015253 1067569425 /nfs/dbraw/zinc/56/94/25/1067569425.db2.gz FRVXFMQVCAUUTG-OZXSUGGESA-N 1 1 473.637 3.496 20 0 JGADMO Cc1cccc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@H+]3CCCO)CC2)c1C ZINC001304497298 1067573217 /nfs/dbraw/zinc/57/32/17/1067573217.db2.gz NJAJISDIGGIGNY-QHCPKHFHSA-N 1 1 454.663 3.267 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303023346 1067575904 /nfs/dbraw/zinc/57/59/04/1067575904.db2.gz WCAJNPSIGVEPDG-NBMBROAQSA-N 1 1 463.667 3.179 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304501810 1067576055 /nfs/dbraw/zinc/57/60/55/1067576055.db2.gz GSTHZMQSNRUZKJ-JOCHJYFZSA-N 1 1 457.619 3.282 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304501810 1067576061 /nfs/dbraw/zinc/57/60/61/1067576061.db2.gz GSTHZMQSNRUZKJ-JOCHJYFZSA-N 1 1 457.619 3.282 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001304502082 1067576416 /nfs/dbraw/zinc/57/64/16/1067576416.db2.gz LVHKXIVORCCLTP-IBGZPJMESA-N 1 1 456.616 3.227 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304504595 1067578880 /nfs/dbraw/zinc/57/88/80/1067578880.db2.gz RYPIMIOZYMSRTQ-FQEVSTJZSA-N 1 1 477.675 3.157 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001304506770 1067580255 /nfs/dbraw/zinc/58/02/55/1067580255.db2.gz NANLUBDYRSXWLD-UHFFFAOYSA-N 1 1 456.635 3.200 20 0 JGADMO CC(C)CCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303041062 1067585947 /nfs/dbraw/zinc/58/59/47/1067585947.db2.gz NJBCWXNETZNQSV-OAQYLSRUSA-N 1 1 472.609 3.175 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2C[C@@](C)(O)C(C)C)c1 ZINC001304511485 1067587324 /nfs/dbraw/zinc/58/73/24/1067587324.db2.gz CSZQYDTVVPDZHD-QFQXNSOFSA-N 1 1 471.646 3.262 20 0 JGADMO O=C(CCCCc1ccc(Br)cc1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049509 1067590380 /nfs/dbraw/zinc/59/03/80/1067590380.db2.gz FSSSYTCHLYXAJT-OAQYLSRUSA-N 1 1 452.437 3.075 20 0 JGADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1NCc1ccccc1Cl ZINC001303049512 1067590513 /nfs/dbraw/zinc/59/05/13/1067590513.db2.gz FUPZYTVBKLKCHH-NRFANRHFSA-N 1 1 457.018 3.479 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001304513812 1067591035 /nfs/dbraw/zinc/59/10/35/1067591035.db2.gz DQXALFCQLJYAFX-SFTDATJTSA-N 1 1 459.660 3.344 20 0 JGADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001304516550 1067592517 /nfs/dbraw/zinc/59/25/17/1067592517.db2.gz ZVDAEOGHOCAGBT-BDTNDASRSA-N 1 1 457.619 3.016 20 0 JGADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304519409 1067594962 /nfs/dbraw/zinc/59/49/62/1067594962.db2.gz IIPLMDOHGUWVEX-RTWAWAEBSA-N 1 1 456.635 3.279 20 0 JGADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001304520620 1067596294 /nfs/dbraw/zinc/59/62/94/1067596294.db2.gz NHGUXXWICZCRAB-BVSLBCMMSA-N 1 1 454.619 3.092 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001304525594 1067598688 /nfs/dbraw/zinc/59/86/88/1067598688.db2.gz OJXYDTVOQDEVCT-IBGZPJMESA-N 1 1 463.573 3.472 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H]1CC(F)(F)CO1 ZINC001304525595 1067598746 /nfs/dbraw/zinc/59/87/46/1067598746.db2.gz OJXYDTVOQDEVCT-LJQANCHMSA-N 1 1 463.573 3.472 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001304525992 1067598886 /nfs/dbraw/zinc/59/88/86/1067598886.db2.gz NNSAZBWXAYAXNV-HSZRJFAPSA-N 1 1 454.663 3.390 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001304525993 1067598984 /nfs/dbraw/zinc/59/89/84/1067598984.db2.gz NNSAZBWXAYAXNV-QHCPKHFHSA-N 1 1 454.663 3.390 20 0 JGADMO Cc1ccccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001304526445 1067599425 /nfs/dbraw/zinc/59/94/25/1067599425.db2.gz PTRPNZUWQGFOSD-HXUWFJFHSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304531841 1067603234 /nfs/dbraw/zinc/60/32/34/1067603234.db2.gz ZUFBKUMDPIWTME-SFTDATJTSA-N 1 1 484.645 3.325 20 0 JGADMO CC(C)(C)OCCC[NH+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC001303069132 1067603929 /nfs/dbraw/zinc/60/39/29/1067603929.db2.gz KUSWJUPJTPNECB-UHFFFAOYSA-N 1 1 455.393 3.112 20 0 JGADMO CC(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303069478 1067604314 /nfs/dbraw/zinc/60/43/14/1067604314.db2.gz UERYWNPZHFFKTN-OAQYLSRUSA-N 1 1 475.037 3.209 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001304534643 1067605162 /nfs/dbraw/zinc/60/51/62/1067605162.db2.gz HWMLZTHRRYJXPL-JOCHJYFZSA-N 1 1 488.702 3.093 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304536910 1067608232 /nfs/dbraw/zinc/60/82/32/1067608232.db2.gz INDJCRGZDGTSGB-PZJWPPBQSA-N 1 1 484.645 3.277 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304536910 1067608234 /nfs/dbraw/zinc/60/82/34/1067608234.db2.gz INDJCRGZDGTSGB-PZJWPPBQSA-N 1 1 484.645 3.277 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001304538962 1067610447 /nfs/dbraw/zinc/61/04/47/1067610447.db2.gz IZRAVVWDBZDDOU-HXUWFJFHSA-N 1 1 472.634 3.324 20 0 JGADMO CC(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001303080221 1067614073 /nfs/dbraw/zinc/61/40/73/1067614073.db2.gz JCJCIWBCBMVIJC-DEOSSOPVSA-N 1 1 454.663 3.472 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(Cc3ccccc3C)nnc2N(C)CCNC(=O)C(C)C)cn1 ZINC001304546610 1067615694 /nfs/dbraw/zinc/61/56/94/1067615694.db2.gz AQYGQDLDRLDSBD-UHFFFAOYSA-N 1 1 486.624 3.323 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001304546635 1067615750 /nfs/dbraw/zinc/61/57/50/1067615750.db2.gz BDVXKNXUPGBUNY-NRFANRHFSA-N 1 1 461.676 3.169 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCn1cc(Cl)cn1 ZINC001304548412 1067617178 /nfs/dbraw/zinc/61/71/78/1067617178.db2.gz PAHOYHHIVQEUDO-BGYRXZFFSA-N 1 1 472.037 3.273 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCn1cc(Cl)cn1 ZINC001304548412 1067617180 /nfs/dbraw/zinc/61/71/80/1067617180.db2.gz PAHOYHHIVQEUDO-BGYRXZFFSA-N 1 1 472.037 3.273 20 0 JGADMO O=C(NCC(F)(F)F)C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303083097 1067617816 /nfs/dbraw/zinc/61/78/16/1067617816.db2.gz ZKHARNOBHCXNMT-UHFFFAOYSA-N 1 1 462.520 3.102 20 0 JGADMO Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001304549001 1067618176 /nfs/dbraw/zinc/61/81/76/1067618176.db2.gz AYLPTSRDKRZNJZ-XPNTWCBSSA-N 1 1 498.672 3.247 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001304559421 1067628917 /nfs/dbraw/zinc/62/89/17/1067628917.db2.gz KVPIJKXKXWSQAW-UHFFFAOYSA-N 1 1 478.563 3.311 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCSC(C)C ZINC001304559898 1067629112 /nfs/dbraw/zinc/62/91/12/1067629112.db2.gz OQUNHVOQUIJKQF-QFIPXVFZSA-N 1 1 470.687 3.062 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001304560327 1067629888 /nfs/dbraw/zinc/62/98/88/1067629888.db2.gz RTIMRQKNTXERTL-GMAHTHKFSA-N 1 1 452.647 3.247 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CC(=O)N(C)C)cc1 ZINC001303094761 1067631447 /nfs/dbraw/zinc/63/14/47/1067631447.db2.gz JDGVSRKAOZILIT-CTNGQTDRSA-N 1 1 454.619 3.131 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCCOC(F)(F)F ZINC001304562377 1067632719 /nfs/dbraw/zinc/63/27/19/1067632719.db2.gz VQIALIRFCQOPPM-HXUWFJFHSA-N 1 1 467.536 3.405 20 0 JGADMO Cc1ccccc1CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001304569800 1067637441 /nfs/dbraw/zinc/63/74/41/1067637441.db2.gz CQXCQTRWHJPFNQ-UHFFFAOYSA-N 1 1 469.678 3.166 20 0 JGADMO Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001304571557 1067639947 /nfs/dbraw/zinc/63/99/47/1067639947.db2.gz PEAZQWNCRDBETL-UHFFFAOYSA-N 1 1 453.679 3.138 20 0 JGADMO Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001304571557 1067639949 /nfs/dbraw/zinc/63/99/49/1067639949.db2.gz PEAZQWNCRDBETL-UHFFFAOYSA-N 1 1 453.679 3.138 20 0 JGADMO Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001304571557 1067639951 /nfs/dbraw/zinc/63/99/51/1067639951.db2.gz PEAZQWNCRDBETL-UHFFFAOYSA-N 1 1 453.679 3.138 20 0 JGADMO Cc1ccccc1O[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304571727 1067640329 /nfs/dbraw/zinc/64/03/29/1067640329.db2.gz RAAZTPRMPBFDKQ-QFIPXVFZSA-N 1 1 498.672 3.085 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001303102271 1067640908 /nfs/dbraw/zinc/64/09/08/1067640908.db2.gz PNUIKIOHPMGQRD-QFIPXVFZSA-N 1 1 498.672 3.183 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001303102271 1067640910 /nfs/dbraw/zinc/64/09/10/1067640910.db2.gz PNUIKIOHPMGQRD-QFIPXVFZSA-N 1 1 498.672 3.183 20 0 JGADMO Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001304572437 1067641072 /nfs/dbraw/zinc/64/10/72/1067641072.db2.gz GXJYCHKYIOWVGF-FGZHOGPDSA-N 1 1 482.673 3.385 20 0 JGADMO Cc1ccccc1O[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304572787 1067641134 /nfs/dbraw/zinc/64/11/34/1067641134.db2.gz JILDQQGXZSBGLK-BJESRGMDSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1ccccc1O[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304572787 1067641135 /nfs/dbraw/zinc/64/11/35/1067641135.db2.gz JILDQQGXZSBGLK-BJESRGMDSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc(Cc2ccsc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304573304 1067641836 /nfs/dbraw/zinc/64/18/36/1067641836.db2.gz NKPADAQLOUMMPY-DEOSSOPVSA-N 1 1 455.628 3.211 20 0 JGADMO Cc1ccccc1OCCN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)C1CCCC1 ZINC001304576443 1067645239 /nfs/dbraw/zinc/64/52/39/1067645239.db2.gz YTLQCLNUZLZMES-UHFFFAOYSA-N 1 1 454.619 3.212 20 0 JGADMO CC(C)CCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303111564 1067649612 /nfs/dbraw/zinc/64/96/12/1067649612.db2.gz BMXXMMYQFNEFGH-GOSISDBHSA-N 1 1 496.425 3.430 20 0 JGADMO CC(C)CCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303111564 1067649613 /nfs/dbraw/zinc/64/96/13/1067649613.db2.gz BMXXMMYQFNEFGH-GOSISDBHSA-N 1 1 496.425 3.430 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC=C(C)CC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304598099 1067661195 /nfs/dbraw/zinc/66/11/95/1067661195.db2.gz LSAWSUJQTCXFRK-HSZRJFAPSA-N 1 1 466.630 3.265 20 0 JGADMO Cc1cnn(CCn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC001304601596 1067666362 /nfs/dbraw/zinc/66/63/62/1067666362.db2.gz BEOFUSDERRVCKI-NZQKXSOJSA-N 1 1 467.666 3.325 20 0 JGADMO O[C@H](COc1ccccc1)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCCC(F)(F)F)CC1 ZINC001303135448 1067675868 /nfs/dbraw/zinc/67/58/68/1067675868.db2.gz HGMQVECNHCTTBD-FQEVSTJZSA-N 1 1 490.530 3.245 20 0 JGADMO Cc1csc([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304619614 1067687895 /nfs/dbraw/zinc/68/78/95/1067687895.db2.gz PVWJBHQPVRKGTC-YTQUADARSA-N 1 1 455.632 3.454 20 0 JGADMO Cc1csc([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304619614 1067687897 /nfs/dbraw/zinc/68/78/97/1067687897.db2.gz PVWJBHQPVRKGTC-YTQUADARSA-N 1 1 455.632 3.454 20 0 JGADMO Cc1csc([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001304619851 1067688309 /nfs/dbraw/zinc/68/83/09/1067688309.db2.gz PTFXRFWDDWXKSR-QGZVFWFLSA-N 1 1 459.664 3.280 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001303152821 1067689558 /nfs/dbraw/zinc/68/95/58/1067689558.db2.gz GHRRYAWWYUHUPW-RBUKOAKNSA-N 1 1 459.557 3.330 20 0 JGADMO Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001304635448 1067704308 /nfs/dbraw/zinc/70/43/08/1067704308.db2.gz URQDXLWYIKTUFW-IBGZPJMESA-N 1 1 461.680 3.024 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001303172366 1067705549 /nfs/dbraw/zinc/70/55/49/1067705549.db2.gz FKNHGSOKHRKQGH-RTWAWAEBSA-N 1 1 455.651 3.382 20 0 JGADMO Cc1nc(C)c(CCn2c(C)nnc2N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001304639765 1067707782 /nfs/dbraw/zinc/70/77/82/1067707782.db2.gz PWTVFIZLKNDTLH-UHFFFAOYSA-N 1 1 453.660 3.157 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001303177157 1067709784 /nfs/dbraw/zinc/70/97/84/1067709784.db2.gz GRRSHKIOTNFDGM-WOJBJXKFSA-N 1 1 472.600 3.224 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001303178511 1067711374 /nfs/dbraw/zinc/71/13/74/1067711374.db2.gz MFJPPDZICPJVKD-BPUGDSSMSA-N 1 1 474.694 3.266 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N3C[C@@H](C)[C@@H](F)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303179167 1067712826 /nfs/dbraw/zinc/71/28/26/1067712826.db2.gz RDVUCGAYDYBKGO-MDAIXWLXSA-N 1 1 451.631 3.481 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001303179083 1067712835 /nfs/dbraw/zinc/71/28/35/1067712835.db2.gz QBTKEQGVZBGSMP-YPAWHYETSA-N 1 1 497.750 3.436 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(N3C[C@@H](C)[C@@H](F)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303179169 1067712848 /nfs/dbraw/zinc/71/28/48/1067712848.db2.gz RDVUCGAYDYBKGO-YOEKFXIASA-N 1 1 451.631 3.481 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N3C[C@@H](C)[C@@H](F)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303179168 1067712896 /nfs/dbraw/zinc/71/28/96/1067712896.db2.gz RDVUCGAYDYBKGO-XBJMDHIQSA-N 1 1 451.631 3.481 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)C1 ZINC001303179424 1067713263 /nfs/dbraw/zinc/71/32/63/1067713263.db2.gz VPHWVDSXILONDF-VQTJNVASSA-N 1 1 451.681 3.317 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1=O ZINC001303183999 1067716921 /nfs/dbraw/zinc/71/69/21/1067716921.db2.gz OKNYVSLPRPWVHL-CCLHPLFOSA-N 1 1 482.673 3.002 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[N@@H+](C)C(C)C)[C@H](C)C1=O ZINC001303184212 1067717219 /nfs/dbraw/zinc/71/72/19/1067717219.db2.gz KAVBBWZBQYYGDT-HXUWFJFHSA-N 1 1 478.645 3.369 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)[C@H](C)C1=O ZINC001303184764 1067718428 /nfs/dbraw/zinc/71/84/28/1067718428.db2.gz ORHPYIRRDFFICX-RTBURBONSA-N 1 1 475.037 3.012 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)[C@H](C)C1=O ZINC001303184764 1067718435 /nfs/dbraw/zinc/71/84/35/1067718435.db2.gz ORHPYIRRDFFICX-RTBURBONSA-N 1 1 475.037 3.012 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001304652512 1067720099 /nfs/dbraw/zinc/72/00/99/1067720099.db2.gz WFZXKJBGYWVMGL-UHFFFAOYSA-N 1 1 474.704 3.061 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304652512 1067720103 /nfs/dbraw/zinc/72/01/03/1067720103.db2.gz WFZXKJBGYWVMGL-UHFFFAOYSA-N 1 1 474.704 3.061 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304652512 1067720108 /nfs/dbraw/zinc/72/01/08/1067720108.db2.gz WFZXKJBGYWVMGL-UHFFFAOYSA-N 1 1 474.704 3.061 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304656047 1067724250 /nfs/dbraw/zinc/72/42/50/1067724250.db2.gz FLJUNFUDKGETOD-WOJBJXKFSA-N 1 1 489.734 3.301 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CCO[C@H]2C(C)C)cs1 ZINC001304657467 1067725843 /nfs/dbraw/zinc/72/58/43/1067725843.db2.gz XYBAGCDZOYCFPK-KNQAVFIVSA-N 1 1 476.691 3.242 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CCO[C@H]2C(C)C)cs1 ZINC001304657467 1067725854 /nfs/dbraw/zinc/72/58/54/1067725854.db2.gz XYBAGCDZOYCFPK-KNQAVFIVSA-N 1 1 476.691 3.242 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCO[C@H]2C(C)C)cs1 ZINC001304657470 1067726013 /nfs/dbraw/zinc/72/60/13/1067726013.db2.gz XYBAGCDZOYCFPK-UGKGYDQZSA-N 1 1 476.691 3.242 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCO[C@H]2C(C)C)cs1 ZINC001304657470 1067726022 /nfs/dbraw/zinc/72/60/22/1067726022.db2.gz XYBAGCDZOYCFPK-UGKGYDQZSA-N 1 1 476.691 3.242 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1=O ZINC001303194716 1067727713 /nfs/dbraw/zinc/72/77/13/1067727713.db2.gz AOYSEWQOLYHFFE-DHIUTWEWSA-N 1 1 482.673 3.325 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001303196244 1067729897 /nfs/dbraw/zinc/72/98/97/1067729897.db2.gz LWRXCUJWMMIFQQ-OAQYLSRUSA-N 1 1 467.662 3.079 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001303196243 1067729993 /nfs/dbraw/zinc/72/99/93/1067729993.db2.gz LWRXCUJWMMIFQQ-NRFANRHFSA-N 1 1 467.662 3.079 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H]2C)[C@H](C)C1=O ZINC001303196348 1067730215 /nfs/dbraw/zinc/73/02/15/1067730215.db2.gz IJBPSWVHMWSFSS-VQTJNVASSA-N 1 1 456.610 3.185 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001303197916 1067733076 /nfs/dbraw/zinc/73/30/76/1067733076.db2.gz VLQLKOYLDKATMV-QFIPXVFZSA-N 1 1 470.637 3.433 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(COc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001303198486 1067733339 /nfs/dbraw/zinc/73/33/39/1067733339.db2.gz CCDIXXWVNUFTDL-JOCHJYFZSA-N 1 1 488.652 3.131 20 0 JGADMO CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)[C@@H](C)C1=O ZINC001303198915 1067734890 /nfs/dbraw/zinc/73/48/90/1067734890.db2.gz PAQKICRMMHBESK-OALUTQOASA-N 1 1 472.609 3.172 20 0 JGADMO Cc1nc(Cc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304667861 1067735841 /nfs/dbraw/zinc/73/58/41/1067735841.db2.gz JVLOAHKYGVCASB-VQTJNVASSA-N 1 1 487.718 3.449 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC[C@H]2C)C1 ZINC001303200862 1067736409 /nfs/dbraw/zinc/73/64/09/1067736409.db2.gz GDQMHCKHXBMSTI-YLJYHZDGSA-N 1 1 465.545 3.128 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2ccsc2)C1 ZINC001303201837 1067737793 /nfs/dbraw/zinc/73/77/93/1067737793.db2.gz PZGAVVRJNHTEMQ-PMACEKPBSA-N 1 1 460.648 3.176 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)C1 ZINC001303202481 1067738663 /nfs/dbraw/zinc/73/86/63/1067738663.db2.gz ZDGUOPZQNKUHSE-LJQANCHMSA-N 1 1 496.990 3.064 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304670137 1067739024 /nfs/dbraw/zinc/73/90/24/1067739024.db2.gz NRODYARQRFCJQF-HKUYNNGSSA-N 1 1 473.691 3.236 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cs1 ZINC001304670225 1067739262 /nfs/dbraw/zinc/73/92/62/1067739262.db2.gz OGZRXOSJIJQHLE-AEFFLSMTSA-N 1 1 472.581 3.259 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@H]2CCSC2)C1 ZINC001303203938 1067739450 /nfs/dbraw/zinc/73/94/50/1067739450.db2.gz HYVGYEFOYJTXBL-ROUUACIJSA-N 1 1 465.614 3.446 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001303203896 1067739731 /nfs/dbraw/zinc/73/97/31/1067739731.db2.gz CRVGWTOTAYFZMW-SFHVURJKSA-N 1 1 481.016 3.055 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001303203979 1067740052 /nfs/dbraw/zinc/74/00/52/1067740052.db2.gz IMOWOPHYKFOFCU-QFIPXVFZSA-N 1 1 482.654 3.023 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001303204200 1067740588 /nfs/dbraw/zinc/74/05/88/1067740588.db2.gz LHIGIILUQJZXLH-LEWJYISDSA-N 1 1 496.578 3.168 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCCCn2cc[nH+]c2C)cs1 ZINC001304672095 1067741048 /nfs/dbraw/zinc/74/10/48/1067741048.db2.gz PONQNNUQPMYQBZ-HXUWFJFHSA-N 1 1 484.674 3.360 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303204616 1067741116 /nfs/dbraw/zinc/74/11/16/1067741116.db2.gz KRGVQSKKGFIKNA-FCHUYYIVSA-N 1 1 484.645 3.405 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C3CCC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303205023 1067742412 /nfs/dbraw/zinc/74/24/12/1067742412.db2.gz OLBQGWHYPSYCJZ-GIVPXCGWSA-N 1 1 476.666 3.252 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304673277 1067742903 /nfs/dbraw/zinc/74/29/03/1067742903.db2.gz PEKYURPZNSTJGJ-DLBZAZTESA-N 1 1 485.624 3.439 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001303205357 1067742957 /nfs/dbraw/zinc/74/29/57/1067742957.db2.gz QIZWXIJRASMLND-NHCUHLMSSA-N 1 1 499.660 3.143 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001303205400 1067743028 /nfs/dbraw/zinc/74/30/28/1067743028.db2.gz QVVKWLCUNODRAF-CTNGQTDRSA-N 1 1 476.666 3.348 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(=O)N4CCCCC4)CC3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001304673627 1067743523 /nfs/dbraw/zinc/74/35/23/1067743523.db2.gz ZENYHTWDNKDJBP-UHFFFAOYSA-N 1 1 488.706 3.092 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2C[C@](C)(O)CCC(C)C)cs1 ZINC001304673877 1067743874 /nfs/dbraw/zinc/74/38/74/1067743874.db2.gz FDJIBDWNDBQALU-ZJSXRUAMSA-N 1 1 476.691 3.122 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCC([C@](C)(O)C(F)(F)F)CC3)nnc2C(C)(C)C)C1 ZINC001303207332 1067744232 /nfs/dbraw/zinc/74/42/32/1067744232.db2.gz UKAVMIRSQAYYPN-GCJKJVERSA-N 1 1 475.600 3.462 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001303206684 1067744580 /nfs/dbraw/zinc/74/45/80/1067744580.db2.gz WADJYQBCXCZEAA-PMACEKPBSA-N 1 1 482.551 3.245 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001303207071 1067745286 /nfs/dbraw/zinc/74/52/86/1067745286.db2.gz YKXMWOPZMGWICW-IEBWSBKVSA-N 1 1 463.026 3.354 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCOC[C@@H]2C)C1 ZINC001303207555 1067745512 /nfs/dbraw/zinc/74/55/12/1067745512.db2.gz ZOJOGXDICWVZQW-FUHWJXTLSA-N 1 1 451.974 3.320 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCOC[C@H]2C)C1 ZINC001303207556 1067745681 /nfs/dbraw/zinc/74/56/81/1067745681.db2.gz ZOJOGXDICWVZQW-SJLPKXTDSA-N 1 1 451.974 3.320 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)C1 ZINC001303208050 1067746078 /nfs/dbraw/zinc/74/60/78/1067746078.db2.gz WKMUOMFJVFFITM-DENIHFKCSA-N 1 1 475.609 3.357 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2nc(C)c(C)s2)cs1 ZINC001304675113 1067746153 /nfs/dbraw/zinc/74/61/53/1067746153.db2.gz ZZOYDGQZZFOFSY-UHFFFAOYSA-N 1 1 475.688 3.302 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001303208839 1067746868 /nfs/dbraw/zinc/74/68/68/1067746868.db2.gz ZCSKEJOKSWQKEC-HSZRJFAPSA-N 1 1 482.673 3.186 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001304676632 1067748719 /nfs/dbraw/zinc/74/87/19/1067748719.db2.gz ZWSOMWZXJKBUSG-RTWAWAEBSA-N 1 1 476.691 3.242 20 0 JGADMO Cc1nc(Cc2nnc(N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304677559 1067749674 /nfs/dbraw/zinc/74/96/74/1067749674.db2.gz SZOXBLLCDJVRGT-SBUREZEXSA-N 1 1 475.663 3.077 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001303215289 1067752628 /nfs/dbraw/zinc/75/26/28/1067752628.db2.gz IETDFEWZWZUMJK-VXKWHMMOSA-N 1 1 483.661 3.299 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001303216318 1067753395 /nfs/dbraw/zinc/75/33/95/1067753395.db2.gz RCAXHZVLBCQBOI-DEOSSOPVSA-N 1 1 498.672 3.006 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(CC3CC3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001303216983 1067754821 /nfs/dbraw/zinc/75/48/21/1067754821.db2.gz AUHVNSFHEBIYOB-UHFFFAOYSA-N 1 1 454.619 3.277 20 0 JGADMO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C2CCCC2)s1 ZINC001304689878 1067763228 /nfs/dbraw/zinc/76/32/28/1067763228.db2.gz MPJJTQGYSWUPEP-UHFFFAOYSA-N 1 1 454.604 3.201 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001303227793 1067763235 /nfs/dbraw/zinc/76/32/35/1067763235.db2.gz VKYCYUKXNOSHDL-KNQAVFIVSA-N 1 1 478.435 3.026 20 0 JGADMO CC(C)COCCCn1c([C@H]2CCCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001303237019 1067768661 /nfs/dbraw/zinc/76/86/61/1067768661.db2.gz FURFGMRLGHKFCI-QHCPKHFHSA-N 1 1 476.710 3.230 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001304701318 1067772205 /nfs/dbraw/zinc/77/22/05/1067772205.db2.gz FXRNSONLYJNBGG-UHFFFAOYSA-N 1 1 485.036 3.382 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)CC[C@H]2C)cc1F ZINC001304701436 1067772633 /nfs/dbraw/zinc/77/26/33/1067772633.db2.gz IRPPGYOICPOFKK-ZACQAIPSSA-N 1 1 489.621 3.195 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 ZINC001304701803 1067773223 /nfs/dbraw/zinc/77/32/23/1067773223.db2.gz NXZRJECWYWLFNN-QGZVFWFLSA-N 1 1 471.993 3.072 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)CCc2ccccc2F)cn1 ZINC001304702196 1067773430 /nfs/dbraw/zinc/77/34/30/1067773430.db2.gz QMGYDOQBPMSODB-UHFFFAOYSA-N 1 1 476.560 3.172 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(C)C)C2)cc1F ZINC001304702349 1067774134 /nfs/dbraw/zinc/77/41/34/1067774134.db2.gz WQKXQGQOUALBRV-APWZRJJASA-N 1 1 489.621 3.052 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)OC2CCCC2)cc1F ZINC001304702759 1067775081 /nfs/dbraw/zinc/77/50/81/1067775081.db2.gz XRFHAUZQMSXCQR-UHFFFAOYSA-N 1 1 455.538 3.408 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001304703512 1067775796 /nfs/dbraw/zinc/77/57/96/1067775796.db2.gz RMEOXUGXSABOEC-KRWDZBQOSA-N 1 1 453.513 3.165 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001304703513 1067775833 /nfs/dbraw/zinc/77/58/33/1067775833.db2.gz RMEOXUGXSABOEC-QGZVFWFLSA-N 1 1 453.513 3.165 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001304703708 1067775966 /nfs/dbraw/zinc/77/59/66/1067775966.db2.gz HEBJHWUNCFKDAL-UHFFFAOYSA-N 1 1 466.590 3.383 20 0 JGADMO Cc1nccn1CCCCn1c(N2CCC[N@H+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001304704102 1067776429 /nfs/dbraw/zinc/77/64/29/1067776429.db2.gz MRWYDRBHLJJCQV-UHFFFAOYSA-N 1 1 453.639 3.007 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001304704253 1067776923 /nfs/dbraw/zinc/77/69/23/1067776923.db2.gz MJRHGGDZXPGWLW-INIZCTEOSA-N 1 1 492.049 3.090 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)C1 ZINC001304704642 1067777252 /nfs/dbraw/zinc/77/72/52/1067777252.db2.gz ORCRHUUEXJIJDW-GOSISDBHSA-N 1 1 471.631 3.027 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001304705357 1067777811 /nfs/dbraw/zinc/77/78/11/1067777811.db2.gz SBPMDGXZOFRDHZ-SFHVURJKSA-N 1 1 460.579 3.083 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001304705374 1067778261 /nfs/dbraw/zinc/77/82/61/1067778261.db2.gz SXEYCAKWGSXLQC-QFIPXVFZSA-N 1 1 459.957 3.425 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001304705582 1067778279 /nfs/dbraw/zinc/77/82/79/1067778279.db2.gz RKSKJUDELBHCOX-IBGZPJMESA-N 1 1 463.007 3.207 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001304705793 1067778586 /nfs/dbraw/zinc/77/85/86/1067778586.db2.gz VEDZYCVZGWBASP-FQEVSTJZSA-N 1 1 464.618 3.314 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001304706827 1067778909 /nfs/dbraw/zinc/77/89/09/1067778909.db2.gz APMQBKSLSTZION-UHFFFAOYSA-N 1 1 472.391 3.118 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CCOc2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001304707437 1067779373 /nfs/dbraw/zinc/77/93/73/1067779373.db2.gz JOICENDOJBGYLQ-UHFFFAOYSA-N 1 1 479.629 3.190 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001304707185 1067779396 /nfs/dbraw/zinc/77/93/96/1067779396.db2.gz HUBZYTOEPWMLQG-MGBGTMOVSA-N 1 1 463.611 3.233 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001304707410 1067779489 /nfs/dbraw/zinc/77/94/89/1067779489.db2.gz IQOUQPCGLJYVEZ-GOSISDBHSA-N 1 1 485.658 3.451 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001304707150 1067779505 /nfs/dbraw/zinc/77/95/05/1067779505.db2.gz GTPLTPNWQVHQDW-UHFFFAOYSA-N 1 1 455.632 3.220 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Nc2ccn(C)n2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001304707924 1067779684 /nfs/dbraw/zinc/77/96/84/1067779684.db2.gz RIZRTGYPKDCWNF-CALCHBBNSA-N 1 1 455.567 3.121 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2ccccc2F)nnc1N(C)CC1COC(C)(C)OC1 ZINC001304708133 1067779743 /nfs/dbraw/zinc/77/97/43/1067779743.db2.gz WFVNWVOYTUCYQX-UHFFFAOYSA-N 1 1 472.565 3.427 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(Br)c1 ZINC001304708360 1067779808 /nfs/dbraw/zinc/77/98/08/1067779808.db2.gz ZYAAWXMFMMFCEY-UHFFFAOYSA-N 1 1 460.380 3.020 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2cn[nH]c2)CC1 ZINC001303254652 1067780074 /nfs/dbraw/zinc/78/00/74/1067780074.db2.gz DTNMRCJRDXDBIA-UHFFFAOYSA-N 1 1 499.063 3.384 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001304708634 1067780274 /nfs/dbraw/zinc/78/02/74/1067780274.db2.gz BYAKJDWAUNXYPB-JOCHJYFZSA-N 1 1 467.593 3.344 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001304708635 1067780349 /nfs/dbraw/zinc/78/03/49/1067780349.db2.gz BYAKJDWAUNXYPB-QFIPXVFZSA-N 1 1 467.593 3.344 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001303254803 1067780356 /nfs/dbraw/zinc/78/03/56/1067780356.db2.gz LBNJEERGLWMAMF-UHFFFAOYSA-N 1 1 482.654 3.242 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC(C)(C)C1 ZINC001304710239 1067780982 /nfs/dbraw/zinc/78/09/82/1067780982.db2.gz GHQNSTRPAQTCIX-UHFFFAOYSA-N 1 1 471.631 3.027 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001304710155 1067781191 /nfs/dbraw/zinc/78/11/91/1067781191.db2.gz FHPYTXXPVFPSSL-GDTDKIKOSA-N 1 1 463.611 3.404 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001304710577 1067781555 /nfs/dbraw/zinc/78/15/55/1067781555.db2.gz KMBFNCSBVKNVLB-QGZVFWFLSA-N 1 1 454.884 3.495 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C2CC2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001304711349 1067782209 /nfs/dbraw/zinc/78/22/09/1067782209.db2.gz DACHWWZUDHSRHU-UHFFFAOYSA-N 1 1 451.394 3.184 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(C3CCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001303255903 1067782517 /nfs/dbraw/zinc/78/25/17/1067782517.db2.gz SAYRKEBSZKPQQR-HSZRJFAPSA-N 1 1 474.694 3.256 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCOCC(F)F)CC1 ZINC001303255981 1067782853 /nfs/dbraw/zinc/78/28/53/1067782853.db2.gz GNGFYZGGLVSQKY-UHFFFAOYSA-N 1 1 489.571 3.432 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001304712627 1067783675 /nfs/dbraw/zinc/78/36/75/1067783675.db2.gz UIMUIPUFUQLEQD-UHFFFAOYSA-N 1 1 488.312 3.134 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001303256806 1067783659 /nfs/dbraw/zinc/78/36/59/1067783659.db2.gz DLUNXAUIUUJHGA-RUZDIDTESA-N 1 1 452.603 3.321 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001303256746 1067783836 /nfs/dbraw/zinc/78/38/36/1067783836.db2.gz BCBIORSUZPFDKL-NRFANRHFSA-N 1 1 487.649 3.137 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001304712921 1067784433 /nfs/dbraw/zinc/78/44/33/1067784433.db2.gz BVLDLFNLRGGGDY-HXUWFJFHSA-N 1 1 483.592 3.190 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001303258286 1067784969 /nfs/dbraw/zinc/78/49/69/1067784969.db2.gz LNWORHWKXVIPCZ-NRFANRHFSA-N 1 1 469.634 3.268 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001303258332 1067785010 /nfs/dbraw/zinc/78/50/10/1067785010.db2.gz MMIQCVKWVYLOFD-GOSISDBHSA-N 1 1 479.551 3.248 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CC1 ZINC001303258738 1067785462 /nfs/dbraw/zinc/78/54/62/1067785462.db2.gz OOKQVXQOGBLQDE-JOCHJYFZSA-N 1 1 495.734 3.476 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 ZINC001303259019 1067785489 /nfs/dbraw/zinc/78/54/89/1067785489.db2.gz QQJWKIUZITYWJH-UHFFFAOYSA-N 1 1 468.067 3.124 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001303258713 1067785503 /nfs/dbraw/zinc/78/55/03/1067785503.db2.gz OFDFMSWRRBWQAR-SFHVURJKSA-N 1 1 479.551 3.248 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001303258755 1067785544 /nfs/dbraw/zinc/78/55/44/1067785544.db2.gz OYHDKASUUZRFEO-XMMPIXPASA-N 1 1 482.673 3.088 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001303259330 1067785879 /nfs/dbraw/zinc/78/58/79/1067785879.db2.gz UIZFYYKRHNNYGQ-HXUWFJFHSA-N 1 1 476.572 3.436 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001303259380 1067785903 /nfs/dbraw/zinc/78/59/03/1067785903.db2.gz VFFRFYXMCMKYBY-UHFFFAOYSA-N 1 1 476.691 3.034 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(N(C)C)c2)CC1 ZINC001303261238 1067787054 /nfs/dbraw/zinc/78/70/54/1067787054.db2.gz BRGQNWZCLALHJT-UHFFFAOYSA-N 1 1 467.662 3.071 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001304716126 1067787426 /nfs/dbraw/zinc/78/74/26/1067787426.db2.gz OCAPGMLCZDYHQD-OAHLLOKOSA-N 1 1 467.521 3.253 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001303261517 1067787606 /nfs/dbraw/zinc/78/76/06/1067787606.db2.gz LKUFECROWBGMOX-MJGOQNOKSA-N 1 1 475.435 3.153 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001304716545 1067788286 /nfs/dbraw/zinc/78/82/86/1067788286.db2.gz UUPYRPUHBTYBQH-NRFANRHFSA-N 1 1 478.384 3.071 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001303261688 1067788505 /nfs/dbraw/zinc/78/85/05/1067788505.db2.gz RUPWCGUQORMHMM-HXUWFJFHSA-N 1 1 451.413 3.383 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ncccc2Cl)CC1 ZINC001303261678 1067788570 /nfs/dbraw/zinc/78/85/70/1067788570.db2.gz RKTOSGLYNOPZIZ-UHFFFAOYSA-N 1 1 490.052 3.085 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001303261727 1067788630 /nfs/dbraw/zinc/78/86/30/1067788630.db2.gz UPJHJCFBFAXMMU-AZUAARDMSA-N 1 1 489.462 3.495 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001303261784 1067789081 /nfs/dbraw/zinc/78/90/81/1067789081.db2.gz WMVXGKJWDYUHDI-FGZHOGPDSA-N 1 1 475.659 3.227 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CCOCC2)CC1 ZINC001303261869 1067789101 /nfs/dbraw/zinc/78/91/01/1067789101.db2.gz ZQJUUIIKKMGDBY-UHFFFAOYSA-N 1 1 455.647 3.161 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304720210 1067791389 /nfs/dbraw/zinc/79/13/89/1067791389.db2.gz MEUQCSKZMDNPOO-FQEVSTJZSA-N 1 1 469.609 3.428 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304720179 1067791457 /nfs/dbraw/zinc/79/14/57/1067791457.db2.gz RRVQZTVSVPYJIJ-KGVIQGDOSA-N 1 1 473.666 3.394 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001303265117 1067792519 /nfs/dbraw/zinc/79/25/19/1067792519.db2.gz GQNVPCYYTQACRL-UHFFFAOYSA-N 1 1 454.619 3.334 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001304721565 1067792669 /nfs/dbraw/zinc/79/26/69/1067792669.db2.gz LVLNBFFXDQDVTH-LJQANCHMSA-N 1 1 484.693 3.296 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001303266044 1067792733 /nfs/dbraw/zinc/79/27/33/1067792733.db2.gz WETNZDVBCFUCNH-IBGZPJMESA-N 1 1 454.648 3.410 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001303266046 1067792803 /nfs/dbraw/zinc/79/28/03/1067792803.db2.gz WETNZDVBCFUCNH-LJQANCHMSA-N 1 1 454.648 3.410 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001303266181 1067793120 /nfs/dbraw/zinc/79/31/20/1067793120.db2.gz NIUHRDRZTAGEHO-HXUWFJFHSA-N 1 1 464.655 3.396 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001303266505 1067793701 /nfs/dbraw/zinc/79/37/01/1067793701.db2.gz QXHJGODZQOPCTK-QHCPKHFHSA-N 1 1 467.662 3.015 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Br ZINC001303266821 1067794208 /nfs/dbraw/zinc/79/42/08/1067794208.db2.gz VWZGADHKKKAOOU-SFHVURJKSA-N 1 1 498.491 3.309 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001303267035 1067794252 /nfs/dbraw/zinc/79/42/52/1067794252.db2.gz XZQUUOBOAKATOM-UHFFFAOYSA-N 1 1 479.604 3.096 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)F)CC1 ZINC001303268284 1067795755 /nfs/dbraw/zinc/79/57/55/1067795755.db2.gz DCCCRAYNQQVRFG-UYAOXDASSA-N 1 1 456.626 3.314 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001303268404 1067796482 /nfs/dbraw/zinc/79/64/82/1067796482.db2.gz HGZIEWGVIKHUEC-UHFFFAOYSA-N 1 1 497.047 3.241 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001303268719 1067796761 /nfs/dbraw/zinc/79/67/61/1067796761.db2.gz LJCWIKUDJQZSNB-UHFFFAOYSA-N 1 1 488.438 3.247 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001303268641 1067797073 /nfs/dbraw/zinc/79/70/73/1067797073.db2.gz KLBQYMAOQQHQFA-HXUWFJFHSA-N 1 1 463.586 3.171 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001303269265 1067797747 /nfs/dbraw/zinc/79/77/47/1067797747.db2.gz WBDNVRRFBVFICM-UHFFFAOYSA-N 1 1 481.439 3.498 20 0 JGADMO Cc1nn(C)c(C)c1CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001304725808 1067797919 /nfs/dbraw/zinc/79/79/19/1067797919.db2.gz KFAUWUADUMUYDU-UHFFFAOYSA-N 1 1 482.652 3.021 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303269374 1067798361 /nfs/dbraw/zinc/79/83/61/1067798361.db2.gz ZCGDPIHSOMNFOE-QFIPXVFZSA-N 1 1 486.686 3.415 20 0 JGADMO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)C)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001304725864 1067798409 /nfs/dbraw/zinc/79/84/09/1067798409.db2.gz LNKXZTSEYLHTPO-UHFFFAOYSA-N 1 1 478.689 3.281 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(F)F)CC1 ZINC001303269322 1067798478 /nfs/dbraw/zinc/79/84/78/1067798478.db2.gz XXOUPTWOYNNBDA-UHFFFAOYSA-N 1 1 459.589 3.468 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001303270130 1067798713 /nfs/dbraw/zinc/79/87/13/1067798713.db2.gz HCEQFACGYFKHNF-UHFFFAOYSA-N 1 1 460.026 3.315 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001303269884 1067798835 /nfs/dbraw/zinc/79/88/35/1067798835.db2.gz CQMXCSIIHWDVIB-OAHLLOKOSA-N 1 1 453.374 3.233 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001303270344 1067798929 /nfs/dbraw/zinc/79/89/29/1067798929.db2.gz IOIFITKRPFLCEB-QGZVFWFLSA-N 1 1 464.014 3.437 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001303270879 1067799509 /nfs/dbraw/zinc/79/95/09/1067799509.db2.gz MIPDVIRCUSWJTC-OALUTQOASA-N 1 1 493.425 3.434 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001303270876 1067799686 /nfs/dbraw/zinc/79/96/86/1067799686.db2.gz MIPDVIRCUSWJTC-MOPGFXCFSA-N 1 1 493.425 3.434 20 0 JGADMO Cc1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CCOC(C)C)CC2)n(C)n1 ZINC001304729056 1067800674 /nfs/dbraw/zinc/80/06/74/1067800674.db2.gz UXCWPDVVKLQHHE-FQEVSTJZSA-N 1 1 485.608 3.194 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001303272133 1067801092 /nfs/dbraw/zinc/80/10/92/1067801092.db2.gz YFXJZNOMKWIWPH-UHFFFAOYSA-N 1 1 468.005 3.296 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001303272148 1067801254 /nfs/dbraw/zinc/80/12/54/1067801254.db2.gz YKSKJMYXKWJIQJ-IRXDYDNUSA-N 1 1 482.354 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303272193 1067801691 /nfs/dbraw/zinc/80/16/91/1067801691.db2.gz ZZOJBVNAVKGGJI-HXUWFJFHSA-N 1 1 485.658 3.079 20 0 JGADMO CC(C)n1nc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001303275074 1067802324 /nfs/dbraw/zinc/80/23/24/1067802324.db2.gz RMRCRTASEVOJEH-KDURUIRLSA-N 1 1 467.618 3.190 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001303276243 1067803542 /nfs/dbraw/zinc/80/35/42/1067803542.db2.gz CZOSIBKLEWKGEZ-UHFFFAOYSA-N 1 1 455.557 3.209 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001303275991 1067803631 /nfs/dbraw/zinc/80/36/31/1067803631.db2.gz IEGDNRCNJHSLPE-GOSISDBHSA-N 1 1 498.441 3.413 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303276486 1067803877 /nfs/dbraw/zinc/80/38/77/1067803877.db2.gz HGSMHINEAYIQQK-UHFFFAOYSA-N 1 1 472.634 3.297 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001303276315 1067804069 /nfs/dbraw/zinc/80/40/69/1067804069.db2.gz FZPCDUUZDIAYMY-JOCHJYFZSA-N 1 1 480.592 3.144 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001303277327 1067804641 /nfs/dbraw/zinc/80/46/41/1067804641.db2.gz UEXXVGXXJKWUQG-HXUWFJFHSA-N 1 1 475.037 3.128 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303278255 1067805609 /nfs/dbraw/zinc/80/56/09/1067805609.db2.gz ZZFBGENMNSAUER-UXHICEINSA-N 1 1 464.655 3.348 20 0 JGADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001304732608 1067806089 /nfs/dbraw/zinc/80/60/89/1067806089.db2.gz IAKCQRMBIZHKKZ-UEXGIBASSA-N 1 1 458.655 3.339 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001303278016 1067806143 /nfs/dbraw/zinc/80/61/43/1067806143.db2.gz YYGKNZDNSWFIQN-UHFFFAOYSA-N 1 1 489.550 3.246 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001303278422 1067806320 /nfs/dbraw/zinc/80/63/20/1067806320.db2.gz DCBTYMBVWUJQCC-PMACEKPBSA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001303278421 1067806467 /nfs/dbraw/zinc/80/64/67/1067806467.db2.gz DBGVNYXGCFOLTK-OAQYLSRUSA-N 1 1 477.675 3.118 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001303278907 1067808293 /nfs/dbraw/zinc/80/82/93/1067808293.db2.gz UROVDTFSPLGAQL-SFHVURJKSA-N 1 1 461.010 3.052 20 0 JGADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001304737805 1067811836 /nfs/dbraw/zinc/81/18/36/1067811836.db2.gz RDMRQMRTIUEPAZ-OAQYLSRUSA-N 1 1 470.597 3.386 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CC[C@@H](C)C2)n1 ZINC001304740275 1067814930 /nfs/dbraw/zinc/81/49/30/1067814930.db2.gz HHZHBKFPKHTCLK-KNQAVFIVSA-N 1 1 457.667 3.371 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CC[C@H](C)C2)n1 ZINC001304740277 1067815012 /nfs/dbraw/zinc/81/50/12/1067815012.db2.gz HHZHBKFPKHTCLK-UGKGYDQZSA-N 1 1 457.667 3.371 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)n1 ZINC001304740630 1067816025 /nfs/dbraw/zinc/81/60/25/1067816025.db2.gz LLOZUPOVXHKZMS-IBGZPJMESA-N 1 1 491.562 3.407 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)n1 ZINC001304740630 1067816043 /nfs/dbraw/zinc/81/60/43/1067816043.db2.gz LLOZUPOVXHKZMS-IBGZPJMESA-N 1 1 491.562 3.407 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccco3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304741313 1067817103 /nfs/dbraw/zinc/81/71/03/1067817103.db2.gz HTVWECHYURKAGH-BGYRXZFFSA-N 1 1 455.607 3.257 20 0 JGADMO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1)C(C)C ZINC001303295884 1067819644 /nfs/dbraw/zinc/81/96/44/1067819644.db2.gz KZMYRXZEVBAERD-RUZDIDTESA-N 1 1 477.657 3.315 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCCc2ccccc2)n1 ZINC001304744965 1067823554 /nfs/dbraw/zinc/82/35/54/1067823554.db2.gz KBWFSYFHVLATAV-UHFFFAOYSA-N 1 1 465.646 3.320 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCCc2ccccc2)n1 ZINC001304744965 1067823575 /nfs/dbraw/zinc/82/35/75/1067823575.db2.gz KBWFSYFHVLATAV-UHFFFAOYSA-N 1 1 465.646 3.320 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2csc(C)c2)n1 ZINC001304745648 1067824895 /nfs/dbraw/zinc/82/48/95/1067824895.db2.gz UATJSBSGERTIFX-UHFFFAOYSA-N 1 1 457.648 3.105 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2csc(C)c2)n1 ZINC001304745648 1067824914 /nfs/dbraw/zinc/82/49/14/1067824914.db2.gz UATJSBSGERTIFX-UHFFFAOYSA-N 1 1 457.648 3.105 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001303302125 1067826776 /nfs/dbraw/zinc/82/67/76/1067826776.db2.gz CFXNGCAXIDUVOG-NVXWUHKLSA-N 1 1 451.413 3.381 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001303302911 1067827780 /nfs/dbraw/zinc/82/77/80/1067827780.db2.gz CEJIQHCCMUMHGW-MSOLQXFVSA-N 1 1 467.540 3.403 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303399 1067828648 /nfs/dbraw/zinc/82/86/48/1067828648.db2.gz GOGBRSDBMCCRBI-LEWJYISDSA-N 1 1 476.666 3.350 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304749520 1067829079 /nfs/dbraw/zinc/82/90/79/1067829079.db2.gz LMMFVLHDFIDXPT-NFBKMPQASA-N 1 1 465.646 3.259 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001303304940 1067832155 /nfs/dbraw/zinc/83/21/55/1067832155.db2.gz LCNYXFVANHMFCE-GMAHTHKFSA-N 1 1 452.647 3.241 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCOC2)CC1 ZINC001303305221 1067832626 /nfs/dbraw/zinc/83/26/26/1067832626.db2.gz PBULCBBDEHTNTM-QGZVFWFLSA-N 1 1 465.440 3.393 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001303305050 1067832719 /nfs/dbraw/zinc/83/27/19/1067832719.db2.gz QTHKBSKWGVWOLD-ICSRJNTNSA-N 1 1 459.038 3.310 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304752782 1067833130 /nfs/dbraw/zinc/83/31/30/1067833130.db2.gz UJKDFSXHDUEDFY-RTBURBONSA-N 1 1 483.583 3.418 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001303306136 1067834374 /nfs/dbraw/zinc/83/43/74/1067834374.db2.gz ZBUAFUGLSWVFGQ-VQTJNVASSA-N 1 1 497.669 3.456 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001303306135 1067834414 /nfs/dbraw/zinc/83/44/14/1067834414.db2.gz ZBUAFUGLSWVFGQ-UXHICEINSA-N 1 1 497.669 3.456 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001303305788 1067834560 /nfs/dbraw/zinc/83/45/60/1067834560.db2.gz WBJBKYRPEYBRRU-OGPYBGEISA-N 1 1 467.643 3.229 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001303308004 1067835580 /nfs/dbraw/zinc/83/55/80/1067835580.db2.gz NGEQYKVPRDBICS-PMERELPUSA-N 1 1 453.056 3.461 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2Cc2cnn(C)c2)CC1 ZINC001303307794 1067836126 /nfs/dbraw/zinc/83/61/26/1067836126.db2.gz JJTQKUGUGOAOFI-UHFFFAOYSA-N 1 1 458.408 3.410 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)N(C)C)CC1 ZINC001303308132 1067836628 /nfs/dbraw/zinc/83/66/28/1067836628.db2.gz SICKJLIDRWXPRM-UHFFFAOYSA-N 1 1 489.473 3.064 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304755091 1067837383 /nfs/dbraw/zinc/83/73/83/1067837383.db2.gz VMWMPGSMLHLZQJ-KNQAVFIVSA-N 1 1 484.693 3.001 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304755090 1067837412 /nfs/dbraw/zinc/83/74/12/1067837412.db2.gz VMWMPGSMLHLZQJ-DENIHFKCSA-N 1 1 484.693 3.001 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCOCc2ccccc2)CC1 ZINC001303309804 1067837454 /nfs/dbraw/zinc/83/74/54/1067837454.db2.gz HPJNHQWNCKPZOM-QHCPKHFHSA-N 1 1 489.686 3.098 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001303310024 1067837662 /nfs/dbraw/zinc/83/76/62/1067837662.db2.gz DILAQLOLIDBWME-OAQYLSRUSA-N 1 1 496.523 3.014 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303309914 1067837700 /nfs/dbraw/zinc/83/77/00/1067837700.db2.gz JBCVLNXQSIFNNZ-FQEVSTJZSA-N 1 1 484.649 3.303 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccn(C)n2)CC1 ZINC001303310374 1067838270 /nfs/dbraw/zinc/83/82/70/1067838270.db2.gz GPBQPSRGAFHPTJ-NRFANRHFSA-N 1 1 486.665 3.247 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 ZINC001303310629 1067838988 /nfs/dbraw/zinc/83/89/88/1067838988.db2.gz PVMDFJSDIXVPIL-HXUWFJFHSA-N 1 1 494.562 3.277 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCC(=O)N2)CC1 ZINC001303311406 1067840598 /nfs/dbraw/zinc/84/05/98/1067840598.db2.gz WTAHRXXIFKYKRP-QGZVFWFLSA-N 1 1 481.428 3.363 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303311233 1067840622 /nfs/dbraw/zinc/84/06/22/1067840622.db2.gz XFFRTYHYBYKBBY-FQEVSTJZSA-N 1 1 486.665 3.246 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303311959 1067840982 /nfs/dbraw/zinc/84/09/82/1067840982.db2.gz SDINGSMQBNWIJP-NRFANRHFSA-N 1 1 491.478 3.085 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001303311959 1067840984 /nfs/dbraw/zinc/84/09/84/1067840984.db2.gz SDINGSMQBNWIJP-NRFANRHFSA-N 1 1 491.478 3.085 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001303311914 1067841183 /nfs/dbraw/zinc/84/11/83/1067841183.db2.gz QZYBSBHCWOEVPR-UHFFFAOYSA-N 1 1 456.635 3.366 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@](C)(O)c2cccs2)n1 ZINC001304758566 1067843183 /nfs/dbraw/zinc/84/31/83/1067843183.db2.gz GLXSBFJYZHMMQD-QHCPKHFHSA-N 1 1 457.648 3.029 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304759377 1067844886 /nfs/dbraw/zinc/84/48/86/1067844886.db2.gz KYNRQTFRKKEIDL-AREMUKBSSA-N 1 1 483.636 3.398 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC(C)(C)C)n3CCCOC[C@@H]3CCOC3)CC2)CC1 ZINC001303318422 1067849637 /nfs/dbraw/zinc/84/96/37/1067849637.db2.gz RJRZPJYXRRYGFN-QHCPKHFHSA-N 1 1 490.737 3.305 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccccc4)C[C@@H]3C)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304762854 1067850480 /nfs/dbraw/zinc/85/04/80/1067850480.db2.gz FFSLTZJQJQXZRR-QHCPKHFHSA-N 1 1 478.689 3.438 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(C4CC4)n3CCCN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001303318669 1067850830 /nfs/dbraw/zinc/85/08/30/1067850830.db2.gz XVIIZHULXKWXOR-UHFFFAOYSA-N 1 1 489.709 3.407 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304763028 1067851065 /nfs/dbraw/zinc/85/10/65/1067851065.db2.gz NNBDLFXEZSBIRT-JOCHJYFZSA-N 1 1 473.572 3.336 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CC(C)(C)C(F)(F)F)n1 ZINC001304763845 1067852045 /nfs/dbraw/zinc/85/20/45/1067852045.db2.gz KLNZNILYWIGAHH-SFHVURJKSA-N 1 1 469.556 3.029 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303324565 1067853361 /nfs/dbraw/zinc/85/33/61/1067853361.db2.gz ONNCHEPNBPIBRV-RWBHNFOJSA-N 1 1 483.642 3.125 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304764802 1067854245 /nfs/dbraw/zinc/85/42/45/1067854245.db2.gz RXVGXKZMZCAHCC-NRFANRHFSA-N 1 1 486.615 3.047 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001304765380 1067855368 /nfs/dbraw/zinc/85/53/68/1067855368.db2.gz UUUBJXKFGLJUSE-LSTHTHJFSA-N 1 1 483.583 3.011 20 0 JGADMO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@H+]3CCCC[C@H]3C)C2)n1 ZINC001304765942 1067856103 /nfs/dbraw/zinc/85/61/03/1067856103.db2.gz IMVQTFQOSDDCRN-OFNKIYASSA-N 1 1 499.708 3.196 20 0 JGADMO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC001304765943 1067856118 /nfs/dbraw/zinc/85/61/18/1067856118.db2.gz IMVQTFQOSDDCRN-REWPJTCUSA-N 1 1 499.708 3.196 20 0 JGADMO O=C(NCCCn1ccc(=O)[nH]c1=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001304766908 1067857405 /nfs/dbraw/zinc/85/74/05/1067857405.db2.gz HBRWAKBZOXZKCA-FCHUYYIVSA-N 1 1 466.969 3.024 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001303330257 1067859491 /nfs/dbraw/zinc/85/94/91/1067859491.db2.gz MTUVOMATSHPHPX-GOSISDBHSA-N 1 1 490.052 3.265 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303330666 1067860508 /nfs/dbraw/zinc/86/05/08/1067860508.db2.gz BAENEZGQGGIHCV-CQSZACIVSA-N 1 1 476.379 3.182 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccsc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001303334933 1067864316 /nfs/dbraw/zinc/86/43/16/1067864316.db2.gz BZMPVUJXGSMRPW-UHFFFAOYSA-N 1 1 460.648 3.149 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](C)Sc1ccccc1 ZINC001303340992 1067869625 /nfs/dbraw/zinc/86/96/25/1067869625.db2.gz NSNQPRWMVUCXFA-LJQANCHMSA-N 1 1 474.675 3.144 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](C)Sc1ccccc1 ZINC001303340992 1067869632 /nfs/dbraw/zinc/86/96/32/1067869632.db2.gz NSNQPRWMVUCXFA-LJQANCHMSA-N 1 1 474.675 3.144 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303341147 1067870247 /nfs/dbraw/zinc/87/02/47/1067870247.db2.gz SEVHOPUKLUDSPZ-QHCPKHFHSA-N 1 1 468.646 3.334 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001303350188 1067877229 /nfs/dbraw/zinc/87/72/29/1067877229.db2.gz QETFSCQZGTTXAE-OALUTQOASA-N 1 1 458.607 3.240 20 0 JGADMO Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001304787886 1067881613 /nfs/dbraw/zinc/88/16/13/1067881613.db2.gz JFKWNXIPTRHCPA-BWAGFHJFSA-N 1 1 480.579 3.339 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001303354481 1067881997 /nfs/dbraw/zinc/88/19/97/1067881997.db2.gz MIDJLCVDLHHTCX-YSTOQKLRSA-N 1 1 460.667 3.319 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001303355266 1067883211 /nfs/dbraw/zinc/88/32/11/1067883211.db2.gz STTJZUTWXOIQAJ-AZUAARDMSA-N 1 1 497.644 3.485 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303355937 1067883606 /nfs/dbraw/zinc/88/36/06/1067883606.db2.gz QMZRILMSBQYFEZ-SFHVURJKSA-N 1 1 498.525 3.206 20 0 JGADMO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001304800563 1067885032 /nfs/dbraw/zinc/88/50/32/1067885032.db2.gz YKDGTWLMPRKBGE-QFIPXVFZSA-N 1 1 454.619 3.412 20 0 JGADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001304803052 1067885577 /nfs/dbraw/zinc/88/55/77/1067885577.db2.gz WCXHZQQMTXPTPL-HFSMHLIXSA-N 1 1 474.654 3.095 20 0 JGADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1cccnc1OCC(F)(F)F ZINC001304802064 1067885746 /nfs/dbraw/zinc/88/57/46/1067885746.db2.gz KDAWEYIODUZIBT-FXAWDEMLSA-N 1 1 492.550 3.224 20 0 JGADMO Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304804527 1067886037 /nfs/dbraw/zinc/88/60/37/1067886037.db2.gz JWOHTXGWEBLGAP-GASCZTMLSA-N 1 1 486.480 3.297 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303359285 1067886503 /nfs/dbraw/zinc/88/65/03/1067886503.db2.gz RZKFXOSDLQERMM-HSZRJFAPSA-N 1 1 496.578 3.078 20 0 JGADMO Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001304810067 1067887317 /nfs/dbraw/zinc/88/73/17/1067887317.db2.gz PMSZUOFMAZBLKE-GUXCAODWSA-N 1 1 453.509 3.012 20 0 JGADMO Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001304810067 1067887331 /nfs/dbraw/zinc/88/73/31/1067887331.db2.gz PMSZUOFMAZBLKE-GUXCAODWSA-N 1 1 453.509 3.012 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303362348 1067889476 /nfs/dbraw/zinc/88/94/76/1067889476.db2.gz KRJKCMVHBDPXJG-IRLDBZIGSA-N 1 1 460.667 3.324 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303361888 1067889522 /nfs/dbraw/zinc/88/95/22/1067889522.db2.gz GTICLJOVPOCVFG-IRLDBZIGSA-N 1 1 460.667 3.324 20 0 JGADMO COc1ccc(C[C@](C)(CO)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001303364428 1067891657 /nfs/dbraw/zinc/89/16/57/1067891657.db2.gz RMGHXLQVYDSVCH-ATIYNZHBSA-N 1 1 452.595 3.416 20 0 JGADMO Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001304821907 1067892151 /nfs/dbraw/zinc/89/21/51/1067892151.db2.gz GLNKOYSDFRJXCI-APWZRJJASA-N 1 1 452.372 3.218 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCc1c(F)cccc1F ZINC001303366454 1067894870 /nfs/dbraw/zinc/89/48/70/1067894870.db2.gz OVYPVDAYGRTCOO-UHFFFAOYSA-N 1 1 462.589 3.494 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@]1(C)CCCS1 ZINC001303369122 1067898243 /nfs/dbraw/zinc/89/82/43/1067898243.db2.gz JOLYFXWCAQOIFS-RDPSFJRHSA-N 1 1 456.660 3.413 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@]1(C)CCCS1 ZINC001303369120 1067898368 /nfs/dbraw/zinc/89/83/68/1067898368.db2.gz JOLYFXWCAQOIFS-GBXCKJPGSA-N 1 1 456.660 3.413 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C[C@H]1C(F)(F)F ZINC001303371336 1067900829 /nfs/dbraw/zinc/90/08/29/1067900829.db2.gz UVIQRWYDJVVBER-KBAYOESNSA-N 1 1 456.509 3.208 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C[C@H]1C(F)(F)F ZINC001303371336 1067900830 /nfs/dbraw/zinc/90/08/30/1067900830.db2.gz UVIQRWYDJVVBER-KBAYOESNSA-N 1 1 456.509 3.208 20 0 JGADMO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCCOC(F)(F)F ZINC001304844324 1067901096 /nfs/dbraw/zinc/90/10/96/1067901096.db2.gz GNYQYGGRDYYZBF-OAQYLSRUSA-N 1 1 453.509 3.384 20 0 JGADMO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCCOC(F)(F)F ZINC001304844324 1067901101 /nfs/dbraw/zinc/90/11/01/1067901101.db2.gz GNYQYGGRDYYZBF-OAQYLSRUSA-N 1 1 453.509 3.384 20 0 JGADMO Cc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304845880 1067901492 /nfs/dbraw/zinc/90/14/92/1067901492.db2.gz HXJJYXCWXXEOBE-QHCPKHFHSA-N 1 1 452.647 3.378 20 0 JGADMO Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304849192 1067902921 /nfs/dbraw/zinc/90/29/21/1067902921.db2.gz QNFKBSDMAWGPOG-HDICACEKSA-N 1 1 460.573 3.195 20 0 JGADMO Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304849522 1067903261 /nfs/dbraw/zinc/90/32/61/1067903261.db2.gz ZFHWQIOMTPIMFP-BGYRXZFFSA-N 1 1 454.619 3.013 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303377433 1067907547 /nfs/dbraw/zinc/90/75/47/1067907547.db2.gz FIUOYHGQNGCANF-SFHVURJKSA-N 1 1 460.026 3.148 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303378506 1067907704 /nfs/dbraw/zinc/90/77/04/1067907704.db2.gz RUSDFBFLJJHCHX-BGYRXZFFSA-N 1 1 460.667 3.465 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303378506 1067907710 /nfs/dbraw/zinc/90/77/10/1067907710.db2.gz RUSDFBFLJJHCHX-BGYRXZFFSA-N 1 1 460.667 3.465 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001303378944 1067908269 /nfs/dbraw/zinc/90/82/69/1067908269.db2.gz LBZVMDHMXYESIX-KRWDZBQOSA-N 1 1 460.573 3.378 20 0 JGADMO Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001304858821 1067908850 /nfs/dbraw/zinc/90/88/50/1067908850.db2.gz LKPKHQVYTOYHNJ-LJQANCHMSA-N 1 1 454.516 3.274 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304860691 1067910097 /nfs/dbraw/zinc/91/00/97/1067910097.db2.gz UWVXAGATJRZOLK-QFIPXVFZSA-N 1 1 481.689 3.068 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001304861530 1067910315 /nfs/dbraw/zinc/91/03/15/1067910315.db2.gz VMGLYXQVXSLWGS-LEWJYISDSA-N 1 1 462.639 3.067 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001303380987 1067910339 /nfs/dbraw/zinc/91/03/39/1067910339.db2.gz DPFQNKHLZMPDKG-NRFANRHFSA-N 1 1 460.667 3.324 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001304861531 1067910483 /nfs/dbraw/zinc/91/04/83/1067910483.db2.gz VMGLYXQVXSLWGS-SFTDATJTSA-N 1 1 462.639 3.067 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304865849 1067911545 /nfs/dbraw/zinc/91/15/45/1067911545.db2.gz HLYTUHBLGUEZED-UTKZUKDTSA-N 1 1 465.545 3.267 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001304872605 1067914850 /nfs/dbraw/zinc/91/48/50/1067914850.db2.gz RGODMCGSRLFDPZ-RBUKOAKNSA-N 1 1 458.655 3.487 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304873308 1067915623 /nfs/dbraw/zinc/91/56/23/1067915623.db2.gz HMMHDUIKEXGINV-WIYYLYMNSA-N 1 1 474.650 3.375 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC001304876071 1067919836 /nfs/dbraw/zinc/91/98/36/1067919836.db2.gz QAXOCXLNSFZUGT-CTNGQTDRSA-N 1 1 458.655 3.172 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@@H]1CCOc2ccccc21 ZINC001303396856 1067925329 /nfs/dbraw/zinc/92/53/29/1067925329.db2.gz VNUQEYIQPIXRBD-HXUWFJFHSA-N 1 1 454.619 3.293 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001303397221 1067925669 /nfs/dbraw/zinc/92/56/69/1067925669.db2.gz FWAPKUSQOPDXRO-RTBURBONSA-N 1 1 496.582 3.156 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001303397396 1067926138 /nfs/dbraw/zinc/92/61/38/1067926138.db2.gz HZIOIWNKGKJFRD-NHCUHLMSSA-N 1 1 468.646 3.332 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001303399001 1067927478 /nfs/dbraw/zinc/92/74/78/1067927478.db2.gz WCPUPLXYTYZEGY-RUZDIDTESA-N 1 1 482.654 3.098 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCCN(C)c1ccccc1 ZINC001303405179 1067933294 /nfs/dbraw/zinc/93/32/94/1067933294.db2.gz JZIGQEXKKNPGJZ-QFIPXVFZSA-N 1 1 497.688 3.022 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C(C)(F)F)cc1 ZINC001303405662 1067933683 /nfs/dbraw/zinc/93/36/83/1067933683.db2.gz YOKAISDWXRZYLL-SFHVURJKSA-N 1 1 490.599 3.266 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)n1 ZINC001304889937 1067934026 /nfs/dbraw/zinc/93/40/26/1067934026.db2.gz PATKEDCTMOROCA-LJQANCHMSA-N 1 1 459.639 3.227 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCCC(C)(C)C ZINC001303408249 1067935367 /nfs/dbraw/zinc/93/53/67/1067935367.db2.gz QPFNWBLLTTZVFH-NRFANRHFSA-N 1 1 456.635 3.098 20 0 JGADMO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)C3CCCCC3)CC2)n1 ZINC001304891023 1067935478 /nfs/dbraw/zinc/93/54/78/1067935478.db2.gz NGDRNJSDNMJQRO-UHFFFAOYSA-N 1 1 472.638 3.146 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCSC(F)(F)F ZINC001303408469 1067935569 /nfs/dbraw/zinc/93/55/69/1067935569.db2.gz ZBJUTHISQLQBSN-MRXNPFEDSA-N 1 1 470.565 3.380 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001303409543 1067936201 /nfs/dbraw/zinc/93/62/01/1067936201.db2.gz JFPSMRNUCOESHZ-CTNGQTDRSA-N 1 1 474.675 3.395 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001303410838 1067937298 /nfs/dbraw/zinc/93/72/98/1067937298.db2.gz ZRPPHSBKYOJSLH-ZEQRLZLVSA-N 1 1 498.672 3.131 20 0 JGADMO Cc1noc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC001304892809 1067937499 /nfs/dbraw/zinc/93/74/99/1067937499.db2.gz UGMFZYXWUMFPPJ-IBGZPJMESA-N 1 1 486.665 3.221 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001303416658 1067944097 /nfs/dbraw/zinc/94/40/97/1067944097.db2.gz VCWPLAAVOCVRKA-HXUWFJFHSA-N 1 1 475.037 3.380 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001303417162 1067944827 /nfs/dbraw/zinc/94/48/27/1067944827.db2.gz VTZJYXIIERWBDF-IBGZPJMESA-N 1 1 475.663 3.105 20 0 JGADMO Cc1nsc(N2CCCN(c3nnc(Cc4ccccc4C)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001304902987 1067947364 /nfs/dbraw/zinc/94/73/64/1067947364.db2.gz LPZURUHUDBTGMS-UHFFFAOYSA-N 1 1 468.675 3.394 20 0 JGADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001304902797 1067947420 /nfs/dbraw/zinc/94/74/20/1067947420.db2.gz AUCCXARRFZRQKH-REWPJTCUSA-N 1 1 482.673 3.146 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001303422596 1067947897 /nfs/dbraw/zinc/94/78/97/1067947897.db2.gz CVFMMCJZQODWRN-UHFFFAOYSA-N 1 1 492.466 3.405 20 0 JGADMO Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001303424105 1067948907 /nfs/dbraw/zinc/94/89/07/1067948907.db2.gz KLNGFOFIYSTAAY-FQEVSTJZSA-N 1 1 455.502 3.344 20 0 JGADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+](C)C1CCCC1 ZINC001304905335 1067949546 /nfs/dbraw/zinc/94/95/46/1067949546.db2.gz XOSAXYPBNHEAGN-INIZCTEOSA-N 1 1 475.435 3.249 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304911472 1067954983 /nfs/dbraw/zinc/95/49/83/1067954983.db2.gz MICPLYYAVXJPOQ-HSALFYBXSA-N 1 1 468.712 3.415 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912516 1067956416 /nfs/dbraw/zinc/95/64/16/1067956416.db2.gz QFWYCBRBKCJNNZ-HBMCJLEFSA-N 1 1 484.693 3.290 20 0 JGADMO C[C@H]1C[C@H](C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001304913874 1067958317 /nfs/dbraw/zinc/95/83/17/1067958317.db2.gz VULYJWIBISRHMW-OALUTQOASA-N 1 1 475.037 3.066 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001303435791 1067958774 /nfs/dbraw/zinc/95/87/74/1067958774.db2.gz DKIJIXAJRUXQCO-AWEZNQCLSA-N 1 1 492.447 3.189 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304915530 1067959432 /nfs/dbraw/zinc/95/94/32/1067959432.db2.gz DFPXYJVOCDZZCD-HSALFYBXSA-N 1 1 488.702 3.208 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001304917609 1067960491 /nfs/dbraw/zinc/96/04/91/1067960491.db2.gz MEIDBXYPSROFAB-SRYPRDQNSA-N 1 1 488.702 3.281 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001304918839 1067961041 /nfs/dbraw/zinc/96/10/41/1067961041.db2.gz PAAUVOHRNJGADP-IXDOHACOSA-N 1 1 465.440 3.249 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCC[C@H]1C ZINC001303436911 1067961332 /nfs/dbraw/zinc/96/13/32/1067961332.db2.gz REYHVPHICJXJIY-MRXNPFEDSA-N 1 1 463.424 3.153 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303441562 1067963964 /nfs/dbraw/zinc/96/39/64/1067963964.db2.gz MXULLNRRIFAFHB-QPTUXGOLSA-N 1 1 482.673 3.434 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCCC2)C1 ZINC001304923116 1067964399 /nfs/dbraw/zinc/96/43/99/1067964399.db2.gz AGYZRLQOOMOQOK-BGYRXZFFSA-N 1 1 474.675 3.164 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001303442746 1067964789 /nfs/dbraw/zinc/96/47/89/1067964789.db2.gz CNEMVUDZOBXRCZ-OAQYLSRUSA-N 1 1 465.646 3.362 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CCCc3ccccc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001304924132 1067966583 /nfs/dbraw/zinc/96/65/83/1067966583.db2.gz GCKCXGAKYQDDAD-ZRZAMGCNSA-N 1 1 487.714 3.446 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924315 1067966906 /nfs/dbraw/zinc/96/69/06/1067966906.db2.gz IJGOZKHAPXYLDQ-WIYBCGNWSA-N 1 1 480.723 3.273 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCC2)C1 ZINC001304924326 1067966993 /nfs/dbraw/zinc/96/69/93/1067966993.db2.gz HUCYOUZXFXLRQE-ZVDOUQERSA-N 1 1 451.681 3.175 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CC3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001304924803 1067967766 /nfs/dbraw/zinc/96/77/66/1067967766.db2.gz JTZCWIFUZZASPE-BDTNDASRSA-N 1 1 494.750 3.239 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(N3CCN(c4ccc(C(N)=O)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001304924980 1067968100 /nfs/dbraw/zinc/96/81/00/1067968100.db2.gz ARJGRBRJDHCIRI-OYRHEFFESA-N 1 1 481.689 3.369 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303447480 1067968184 /nfs/dbraw/zinc/96/81/84/1067968184.db2.gz GSSJXGBLTGESKC-BGYRXZFFSA-N 1 1 488.080 3.118 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303447655 1067968193 /nfs/dbraw/zinc/96/81/93/1067968193.db2.gz JLVOJYMZCATREY-INIZCTEOSA-N 1 1 495.455 3.466 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001304925237 1067968681 /nfs/dbraw/zinc/96/86/81/1067968681.db2.gz LQWLMMYAQBCZQZ-HBMCJLEFSA-N 1 1 480.723 3.164 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925744 1067969040 /nfs/dbraw/zinc/96/90/40/1067969040.db2.gz DUNYLDNIWWQOJX-BGYRXZFFSA-N 1 1 458.626 3.337 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC001304925583 1067969098 /nfs/dbraw/zinc/96/90/98/1067969098.db2.gz MJCCYORTTCWTNX-HBMCJLEFSA-N 1 1 499.708 3.157 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001303448457 1067969809 /nfs/dbraw/zinc/96/98/09/1067969809.db2.gz PJYLAXODLBUIBT-IFMALSPDSA-N 1 1 463.630 3.298 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2C2CCC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926602 1067970625 /nfs/dbraw/zinc/97/06/25/1067970625.db2.gz SPADVOTZNMYZSG-HDAAZOAOSA-N 1 1 466.696 3.025 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304926526 1067970754 /nfs/dbraw/zinc/97/07/54/1067970754.db2.gz POYJFYQVRXRNOY-RZUBCFFCSA-N 1 1 460.667 3.381 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001304927305 1067973422 /nfs/dbraw/zinc/97/34/22/1067973422.db2.gz UENNRTMFFJBAFL-RZUBCFFCSA-N 1 1 460.667 3.022 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001304928328 1067976033 /nfs/dbraw/zinc/97/60/33/1067976033.db2.gz MRMJQIKXUVKXKB-KDURUIRLSA-N 1 1 496.077 3.113 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304929067 1067976990 /nfs/dbraw/zinc/97/69/90/1067976990.db2.gz YUZWKMDACXKCSW-ZCNNSNEGSA-N 1 1 484.645 3.175 20 0 JGADMO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001303466524 1067985669 /nfs/dbraw/zinc/98/56/69/1067985669.db2.gz QWVMXOYPIQZUNI-PMACEKPBSA-N 1 1 460.692 3.397 20 0 JGADMO C[C@@H]1C[C@H](CCn2c(-c3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC001304938142 1067987151 /nfs/dbraw/zinc/98/71/51/1067987151.db2.gz LYADQMRZFORPFK-NHCUHLMSSA-N 1 1 456.635 3.340 20 0 JGADMO C[C@H]1C[C@@H](CCn2c(-c3ccc[nH]3)nnc2N(C)CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC001304943184 1067994421 /nfs/dbraw/zinc/99/44/21/1067994421.db2.gz ZHXGXSSBEZQPCJ-PZJWPPBQSA-N 1 1 470.643 3.055 20 0 JGADMO C[C@@H]1C[C@@H](CCn2c(-c3ccc[nH]3)nnc2N(C)CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC001304943187 1067994507 /nfs/dbraw/zinc/99/45/07/1067994507.db2.gz ZHXGXSSBEZQPCJ-TZIWHRDSSA-N 1 1 470.643 3.055 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001304951939 1068000600 /nfs/dbraw/zinc/00/06/00/1068000600.db2.gz PGWOIBWBXUDDKE-SIKLNZKXSA-N 1 1 488.702 3.408 20 0 JGADMO C[C@@H]1C[C@H](N(C)c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304953209 1068001135 /nfs/dbraw/zinc/00/11/35/1068001135.db2.gz RDDXUVMWXGIQQG-NFBKMPQASA-N 1 1 488.702 3.316 20 0 JGADMO C[C@H]1C[C@@H](N(C)c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001304952749 1068001252 /nfs/dbraw/zinc/00/12/52/1068001252.db2.gz QUEYDYMUVVAFHK-URXFXBBRSA-N 1 1 496.681 3.188 20 0 JGADMO C[C@H]1C[C@@H](N(C)c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304953823 1068001455 /nfs/dbraw/zinc/00/14/55/1068001455.db2.gz SPLPBYDXNMEWLA-REWPJTCUSA-N 1 1 461.614 3.308 20 0 JGADMO C[C@@H]1C[C@H]1n1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304954798 1068002564 /nfs/dbraw/zinc/00/25/64/1068002564.db2.gz YUOXWZMSKYRBNJ-PNBKFKSVSA-N 1 1 451.413 3.172 20 0 JGADMO C[C@@H]1C[C@H]1n1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304954798 1068002578 /nfs/dbraw/zinc/00/25/78/1068002578.db2.gz YUOXWZMSKYRBNJ-PNBKFKSVSA-N 1 1 451.413 3.172 20 0 JGADMO C[C@@H]1C[C@@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304956344 1068002898 /nfs/dbraw/zinc/00/28/98/1068002898.db2.gz PDSQYYXGADTGFD-QYZOEREBSA-N 1 1 462.639 3.478 20 0 JGADMO C[C@@H]1C[C@@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304956344 1068002910 /nfs/dbraw/zinc/00/29/10/1068002910.db2.gz PDSQYYXGADTGFD-QYZOEREBSA-N 1 1 462.639 3.478 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(F)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303481535 1068002811 /nfs/dbraw/zinc/00/28/11/1068002811.db2.gz PPBQWAXUIFYHRB-ZEQKJWHPSA-N 1 1 489.636 3.451 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001303481914 1068003287 /nfs/dbraw/zinc/00/32/87/1068003287.db2.gz OXHHKGKNZRSQGH-GAJHUEQPSA-N 1 1 463.026 3.486 20 0 JGADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 ZINC001303486598 1068009039 /nfs/dbraw/zinc/00/90/39/1068009039.db2.gz NULLCBVEOSOKEM-RUZDIDTESA-N 1 1 450.627 3.034 20 0 JGADMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303487082 1068009764 /nfs/dbraw/zinc/00/97/64/1068009764.db2.gz WKLBIVVBJYGXAC-HYBUGGRVSA-N 1 1 451.611 3.253 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccccc2F)CCOC1 ZINC001303488130 1068011318 /nfs/dbraw/zinc/01/13/18/1068011318.db2.gz XMNANOVOGBZURN-OHUGHZGNSA-N 1 1 475.609 3.052 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccccc2F)CCOC1 ZINC001303488130 1068011331 /nfs/dbraw/zinc/01/13/31/1068011331.db2.gz XMNANOVOGBZURN-OHUGHZGNSA-N 1 1 475.609 3.052 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304971629 1068011936 /nfs/dbraw/zinc/01/19/36/1068011936.db2.gz ZHOGLQDVARJBEN-CHPDAQJUSA-N 1 1 454.685 3.024 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001303489568 1068013804 /nfs/dbraw/zinc/01/38/04/1068013804.db2.gz LDPXIEXUSMZWMK-LRXVAGHRSA-N 1 1 489.583 3.349 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303490671 1068015666 /nfs/dbraw/zinc/01/56/66/1068015666.db2.gz VQSJNEZYWYZCMQ-JOCHJYFZSA-N 1 1 487.567 3.128 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303490671 1068015681 /nfs/dbraw/zinc/01/56/81/1068015681.db2.gz VQSJNEZYWYZCMQ-JOCHJYFZSA-N 1 1 487.567 3.128 20 0 JGADMO CC(C)c1n[nH]c(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1Br ZINC001303491949 1068016852 /nfs/dbraw/zinc/01/68/52/1068016852.db2.gz GUWSRWJNDIJEBX-UHFFFAOYSA-N 1 1 458.401 3.015 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981971 1068023033 /nfs/dbraw/zinc/02/30/33/1068023033.db2.gz CJTDEQIXKMWOTQ-QDPGVEIFSA-N 1 1 495.716 3.292 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCSC(C)C)CCOC1 ZINC001303501156 1068028874 /nfs/dbraw/zinc/02/88/74/1068028874.db2.gz FEWWYQIUWZHOHM-GBXCKJPGSA-N 1 1 481.707 3.150 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCSC(C)C)CCOC1 ZINC001303501158 1068028951 /nfs/dbraw/zinc/02/89/51/1068028951.db2.gz FEWWYQIUWZHOHM-RDPSFJRHSA-N 1 1 481.707 3.150 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303501309 1068029286 /nfs/dbraw/zinc/02/92/86/1068029286.db2.gz MTAZWTCRUKWHPK-TZBSWOFLSA-N 1 1 463.667 3.444 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304994127 1068036285 /nfs/dbraw/zinc/03/62/85/1068036285.db2.gz BRMZPRVNBNLNKR-ZLNRFVROSA-N 1 1 487.737 3.339 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001304994900 1068036941 /nfs/dbraw/zinc/03/69/41/1068036941.db2.gz FIQDZQXNUXRZFU-GOTSBHOMSA-N 1 1 487.737 3.483 20 0 JGADMO C[C@@H]1CCCC[C@@H]1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305000804 1068043550 /nfs/dbraw/zinc/04/35/50/1068043550.db2.gz AELNNISVIPHPKE-HKBOAZHASA-N 1 1 481.707 3.086 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303509841 1068044155 /nfs/dbraw/zinc/04/41/55/1068044155.db2.gz JBMZZVNCXOSVHB-ZJPWWDJASA-N 1 1 471.646 3.046 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303510830 1068046228 /nfs/dbraw/zinc/04/62/28/1068046228.db2.gz QANKGXARKGKMDR-VMIIQTFKSA-N 1 1 481.707 3.150 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCO[C@@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001305004414 1068046411 /nfs/dbraw/zinc/04/64/11/1068046411.db2.gz LWHXBBOEACQGDY-ZPFZUWPUSA-N 1 1 470.662 3.405 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCO[C@@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001305004414 1068046426 /nfs/dbraw/zinc/04/64/26/1068046426.db2.gz LWHXBBOEACQGDY-ZPFZUWPUSA-N 1 1 470.662 3.405 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001305012734 1068053310 /nfs/dbraw/zinc/05/33/10/1068053310.db2.gz BCXOKKROLYCONJ-TZIWHRDSSA-N 1 1 465.708 3.491 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001305012733 1068053380 /nfs/dbraw/zinc/05/33/80/1068053380.db2.gz BCXOKKROLYCONJ-PZJWPPBQSA-N 1 1 465.708 3.491 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001305013347 1068053780 /nfs/dbraw/zinc/05/37/80/1068053780.db2.gz GYMPYDBRPMSNII-RBBKRZOGSA-N 1 1 495.734 3.476 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001305013499 1068053813 /nfs/dbraw/zinc/05/38/13/1068053813.db2.gz JUXQAFXOJSVNOS-LEWJYISDSA-N 1 1 460.667 3.420 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305015840 1068059174 /nfs/dbraw/zinc/05/91/74/1068059174.db2.gz FZCJINCMUCHWCJ-VQTJNVASSA-N 1 1 499.685 3.469 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001303530996 1068060018 /nfs/dbraw/zinc/06/00/18/1068060018.db2.gz JETIPDWITKKCSD-DNQXCXABSA-N 1 1 485.673 3.211 20 0 JGADMO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001305018790 1068064508 /nfs/dbraw/zinc/06/45/08/1068064508.db2.gz VIHILXPXJZIWGZ-VQTJNVASSA-N 1 1 474.675 3.253 20 0 JGADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1O ZINC001305018966 1068064900 /nfs/dbraw/zinc/06/49/00/1068064900.db2.gz PBDGXYAORVWGLH-DXIQSLLYSA-N 1 1 489.064 3.333 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305019590 1068065867 /nfs/dbraw/zinc/06/58/67/1068065867.db2.gz LFSCUAMFZPEIPH-FYYLOGMGSA-N 1 1 489.686 3.178 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001303537164 1068066227 /nfs/dbraw/zinc/06/62/27/1068066227.db2.gz ZLDSERIAOLZSBY-RZUBCFFCSA-N 1 1 477.675 3.060 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305019599 1068066314 /nfs/dbraw/zinc/06/63/14/1068066314.db2.gz LFSCUAMFZPEIPH-JTHBVZDNSA-N 1 1 489.686 3.178 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305020106 1068067520 /nfs/dbraw/zinc/06/75/20/1068067520.db2.gz SUAPXSSBEGTQDV-KBMIEXCESA-N 1 1 456.610 3.364 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305020315 1068067957 /nfs/dbraw/zinc/06/79/57/1068067957.db2.gz UYGFKUOQQJQLIQ-ICSRJNTNSA-N 1 1 465.689 3.208 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001305020698 1068069636 /nfs/dbraw/zinc/06/96/36/1068069636.db2.gz DCMTYTWPYRNKHF-GOSISDBHSA-N 1 1 495.093 3.191 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001305021071 1068069985 /nfs/dbraw/zinc/06/99/85/1068069985.db2.gz PZDOGICQXCCOLN-MOPGFXCFSA-N 1 1 488.637 3.328 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(Nc2ccn(C)n2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001305021076 1068070238 /nfs/dbraw/zinc/07/02/38/1068070238.db2.gz PZDOGICQXCCOLN-RBUKOAKNSA-N 1 1 488.637 3.328 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001305021686 1068071314 /nfs/dbraw/zinc/07/13/14/1068071314.db2.gz WPDLFKDCXKMPFR-WOJBJXKFSA-N 1 1 476.666 3.350 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001305021682 1068071407 /nfs/dbraw/zinc/07/14/07/1068071407.db2.gz WPDLFKDCXKMPFR-UXHICEINSA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)OCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303543959 1068072293 /nfs/dbraw/zinc/07/22/93/1068072293.db2.gz XDARFVFWWMLPBW-NFBKMPQASA-N 1 1 459.610 3.370 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305021970 1068072385 /nfs/dbraw/zinc/07/23/85/1068072385.db2.gz IZGBHOXQXLNARU-MSOLQXFVSA-N 1 1 480.654 3.174 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001305021816 1068072467 /nfs/dbraw/zinc/07/24/67/1068072467.db2.gz XMJKGNSDTRJMAD-TZIWHRDSSA-N 1 1 490.693 3.471 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022467 1068073207 /nfs/dbraw/zinc/07/32/07/1068073207.db2.gz LDTNRCPHOXEYIQ-PKTZIBPZSA-N 1 1 487.737 3.435 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001305022309 1068073264 /nfs/dbraw/zinc/07/32/64/1068073264.db2.gz KVVQXFSPRTXDPY-NVXWUHKLSA-N 1 1 496.582 3.128 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001305022314 1068073474 /nfs/dbraw/zinc/07/34/74/1068073474.db2.gz KVVQXFSPRTXDPY-WBVHZDCISA-N 1 1 496.582 3.128 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCCO)CC2)C1 ZINC001305022533 1068073807 /nfs/dbraw/zinc/07/38/07/1068073807.db2.gz LRNPJFLEVDKKHR-HXUWFJFHSA-N 1 1 483.661 3.425 20 0 JGADMO CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303547260 1068074051 /nfs/dbraw/zinc/07/40/51/1068074051.db2.gz RUBWAKHFFJQFEO-KRWDZBQOSA-N 1 1 482.398 3.183 20 0 JGADMO CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303547260 1068074066 /nfs/dbraw/zinc/07/40/66/1068074066.db2.gz RUBWAKHFFJQFEO-KRWDZBQOSA-N 1 1 482.398 3.183 20 0 JGADMO CC(C)OCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001303546956 1068074248 /nfs/dbraw/zinc/07/42/48/1068074248.db2.gz PMRYURWQUNDJCC-QGZVFWFLSA-N 1 1 481.439 3.009 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305022959 1068074602 /nfs/dbraw/zinc/07/46/02/1068074602.db2.gz OIJZKYPRFPWYOJ-ROUUACIJSA-N 1 1 494.731 3.413 20 0 JGADMO CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303549046 1068075721 /nfs/dbraw/zinc/07/57/21/1068075721.db2.gz MEAJILWZJAXYEX-VXKWHMMOSA-N 1 1 454.619 3.145 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023311 1068075726 /nfs/dbraw/zinc/07/57/26/1068075726.db2.gz GJZIJYWULNSGHS-MOPGFXCFSA-N 1 1 457.623 3.297 20 0 JGADMO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023618 1068077055 /nfs/dbraw/zinc/07/70/55/1068077055.db2.gz CGTSAQBEGSUYID-AQNXPRMDSA-N 1 1 462.639 3.307 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305024023 1068077846 /nfs/dbraw/zinc/07/78/46/1068077846.db2.gz KCIDVLFHQHNSIM-PMACEKPBSA-N 1 1 469.634 3.035 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305024431 1068078671 /nfs/dbraw/zinc/07/86/71/1068078671.db2.gz ZBZATJGAPHSUDC-ROUUACIJSA-N 1 1 458.582 3.004 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025108 1068079734 /nfs/dbraw/zinc/07/97/34/1068079734.db2.gz KUFAIPHIQLRTFR-KNKQGSTJSA-N 1 1 454.619 3.375 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025152 1068080423 /nfs/dbraw/zinc/08/04/23/1068080423.db2.gz LLHMMMOSMITYDE-NHCUHLMSSA-N 1 1 482.677 3.014 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025553 1068080743 /nfs/dbraw/zinc/08/07/43/1068080743.db2.gz NHLIPPCDTQJSPA-URVUXULASA-N 1 1 489.686 3.332 20 0 JGADMO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025590 1068080888 /nfs/dbraw/zinc/08/08/88/1068080888.db2.gz NLEXAQWABWMNHJ-QWFCFKBJSA-N 1 1 462.639 3.306 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305026122 1068081312 /nfs/dbraw/zinc/08/13/12/1068081312.db2.gz PVSJTISRLZANNN-GXRSIYKFSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026366 1068082438 /nfs/dbraw/zinc/08/24/38/1068082438.db2.gz WLQQYNJIEZBEOQ-VAMGGRTRSA-N 1 1 491.681 3.030 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026318 1068082469 /nfs/dbraw/zinc/08/24/69/1068082469.db2.gz WDDZHWSEQQOPNI-WOJBJXKFSA-N 1 1 461.054 3.487 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC001305026961 1068083087 /nfs/dbraw/zinc/08/30/87/1068083087.db2.gz SNRKJTCWFLDQBL-BRWVUGGUSA-N 1 1 469.556 3.291 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026648 1068083279 /nfs/dbraw/zinc/08/32/79/1068083279.db2.gz XDIQEZTVVQNWOF-MOPGFXCFSA-N 1 1 460.598 3.191 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026996 1068083393 /nfs/dbraw/zinc/08/33/93/1068083393.db2.gz YUNLKMAFWJKPHO-AQNXPRMDSA-N 1 1 455.607 3.051 20 0 JGADMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC001305028324 1068084727 /nfs/dbraw/zinc/08/47/27/1068084727.db2.gz YNYVRCGVPPVAHI-QWFCFKBJSA-N 1 1 458.582 3.004 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028554 1068084948 /nfs/dbraw/zinc/08/49/48/1068084948.db2.gz ZQVFKXQKMXHXLU-UAFMIMERSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305028407 1068085314 /nfs/dbraw/zinc/08/53/14/1068085314.db2.gz FZFQJRNGGSMFNL-SFTDATJTSA-N 1 1 452.647 3.276 20 0 JGADMO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028359 1068085458 /nfs/dbraw/zinc/08/54/58/1068085458.db2.gz YRNLYBUKKCKLIN-HBFSDRIKSA-N 1 1 459.038 3.344 20 0 JGADMO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305028569 1068085802 /nfs/dbraw/zinc/08/58/02/1068085802.db2.gz ZYWSJFUIAJXVGT-JKSUJKDBSA-N 1 1 465.524 3.203 20 0 JGADMO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305028567 1068085850 /nfs/dbraw/zinc/08/58/50/1068085850.db2.gz ZYWSJFUIAJXVGT-HOTGVXAUSA-N 1 1 465.524 3.203 20 0 JGADMO C[C@H](Cn1c(CCc2ccccc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305029928 1068088368 /nfs/dbraw/zinc/08/83/68/1068088368.db2.gz TWSJMFSMDFYDRD-YSFYHYPLSA-N 1 1 475.703 3.442 20 0 JGADMO C[C@H](Cn1c(CCc2ccccc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305029929 1068088546 /nfs/dbraw/zinc/08/85/46/1068088546.db2.gz TWSJMFSMDFYDRD-YUMYIRISSA-N 1 1 475.703 3.442 20 0 JGADMO CC(C)OCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303566404 1068088604 /nfs/dbraw/zinc/08/86/04/1068088604.db2.gz AOXOOOWAHBMOKB-UXHICEINSA-N 1 1 462.639 3.450 20 0 JGADMO CC(C)OCCn1c(COc2ccccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303567547 1068090903 /nfs/dbraw/zinc/09/09/03/1068090903.db2.gz VCVYXJZTQQHLNR-IBGZPJMESA-N 1 1 461.582 3.111 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2Cl)CC1 ZINC001303567486 1068090947 /nfs/dbraw/zinc/09/09/47/1068090947.db2.gz XYOSVTAHKKKUFG-UHFFFAOYSA-N 1 1 484.004 3.174 20 0 JGADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001305036464 1068092921 /nfs/dbraw/zinc/09/29/21/1068092921.db2.gz WAWXHHNCSIHROV-VAMGGRTRSA-N 1 1 462.664 3.035 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001303570244 1068093735 /nfs/dbraw/zinc/09/37/35/1068093735.db2.gz CPKXYOLEJGSAHK-SANMLTNESA-N 1 1 499.059 3.372 20 0 JGADMO C[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001305039724 1068094586 /nfs/dbraw/zinc/09/45/86/1068094586.db2.gz NUUHMCATJKUUHT-VSKRKVRLSA-N 1 1 490.693 3.476 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001303570638 1068094591 /nfs/dbraw/zinc/09/45/91/1068094591.db2.gz VIPDPHAIORTIFQ-OAQYLSRUSA-N 1 1 462.589 3.284 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CCCC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303570841 1068095144 /nfs/dbraw/zinc/09/51/44/1068095144.db2.gz GSPXACNBWNNEEV-UHFFFAOYSA-N 1 1 468.646 3.233 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001303570716 1068095174 /nfs/dbraw/zinc/09/51/74/1068095174.db2.gz WGEGNDYSBBAZGI-OAQYLSRUSA-N 1 1 469.659 3.252 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2ccccc2F)CC1 ZINC001303570831 1068095306 /nfs/dbraw/zinc/09/53/06/1068095306.db2.gz GMBHDBVFSLBGLA-QFIPXVFZSA-N 1 1 459.610 3.491 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CSCCS2)CC1 ZINC001303571161 1068095729 /nfs/dbraw/zinc/09/57/29/1068095729.db2.gz IAMQOYTXAZNCOS-HXUWFJFHSA-N 1 1 453.722 3.406 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCn2cc(Cl)cn2)CC1 ZINC001303571427 1068096037 /nfs/dbraw/zinc/09/60/37/1068096037.db2.gz KNAODWCKHZMOPF-UHFFFAOYSA-N 1 1 464.039 3.028 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001303571417 1068096426 /nfs/dbraw/zinc/09/64/26/1068096426.db2.gz KKEHNXSDOMPHMQ-GMAHTHKFSA-N 1 1 459.610 3.106 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001303571670 1068097139 /nfs/dbraw/zinc/09/71/39/1068097139.db2.gz NPAQSSPYGYDXQU-UHFFFAOYSA-N 1 1 489.546 3.273 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001303571706 1068097205 /nfs/dbraw/zinc/09/72/05/1068097205.db2.gz OKGLKKQICGBQQL-UHFFFAOYSA-N 1 1 455.651 3.067 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001303572217 1068097438 /nfs/dbraw/zinc/09/74/38/1068097438.db2.gz YXVGMSJDEQVVLL-XZOQPEGZSA-N 1 1 456.635 3.164 20 0 JGADMO CC(C)OCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001303572354 1068097481 /nfs/dbraw/zinc/09/74/81/1068097481.db2.gz DYDGUOCXHNABRG-NRFANRHFSA-N 1 1 494.681 3.322 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305042347 1068097847 /nfs/dbraw/zinc/09/78/47/1068097847.db2.gz HQXSXFCBOJLSES-HNNXBMFYSA-N 1 1 452.525 3.202 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001303572510 1068098081 /nfs/dbraw/zinc/09/80/81/1068098081.db2.gz JWUHOFRATAKYHC-LEWJYISDSA-N 1 1 475.609 3.216 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CC2)CC1 ZINC001303572594 1068098409 /nfs/dbraw/zinc/09/84/09/1068098409.db2.gz MFAWCRYDBIKJKK-UHFFFAOYSA-N 1 1 471.646 3.227 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001303572966 1068099051 /nfs/dbraw/zinc/09/90/51/1068099051.db2.gz XPTXINZLWNTGSW-AREMUKBSSA-N 1 1 489.636 3.484 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001305043049 1068099107 /nfs/dbraw/zinc/09/91/07/1068099107.db2.gz NDZXSSFLJYQSDS-FQEVSTJZSA-N 1 1 460.667 3.306 20 0 JGADMO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305044097 1068100203 /nfs/dbraw/zinc/10/02/03/1068100203.db2.gz ZBRVTTSZWRYCMK-DHIUTWEWSA-N 1 1 487.737 3.483 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001305044281 1068100732 /nfs/dbraw/zinc/10/07/32/1068100732.db2.gz YZUPCWAZMBISRY-PMACEKPBSA-N 1 1 472.609 3.175 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044327 1068101312 /nfs/dbraw/zinc/10/13/12/1068101312.db2.gz ZSFDMZWGFRZFRF-FRKOPMCESA-N 1 1 486.686 3.181 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCCOc2ccc(F)cc2)C1 ZINC001305044310 1068101472 /nfs/dbraw/zinc/10/14/72/1068101472.db2.gz ZIXLUGPBUXZGGA-HXUWFJFHSA-N 1 1 472.609 3.290 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)C1 ZINC001305045131 1068102539 /nfs/dbraw/zinc/10/25/39/1068102539.db2.gz CVGGXBPYZKRRBU-PBHICJAKSA-N 1 1 481.464 3.422 20 0 JGADMO CC(C)SCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303578457 1068102877 /nfs/dbraw/zinc/10/28/77/1068102877.db2.gz HMYPFTDGCQGUII-BHIFYINESA-N 1 1 464.724 3.309 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001305045886 1068103930 /nfs/dbraw/zinc/10/39/30/1068103930.db2.gz HFFDKKPVROAECT-QFIPXVFZSA-N 1 1 466.674 3.490 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001305047103 1068105414 /nfs/dbraw/zinc/10/54/14/1068105414.db2.gz LPBFJBRNFJVPBH-LJQANCHMSA-N 1 1 456.610 3.222 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC001305047068 1068105423 /nfs/dbraw/zinc/10/54/23/1068105423.db2.gz ATZDBIRUOVVSGE-DENIHFKCSA-N 1 1 489.686 3.332 20 0 JGADMO CC(C)SCCn1c(CCc2ccccc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001303582733 1068106586 /nfs/dbraw/zinc/10/65/86/1068106586.db2.gz HDLHRIJJEDYGFT-UHFFFAOYSA-N 1 1 484.714 3.339 20 0 JGADMO CC(C)SCCn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001303582733 1068106590 /nfs/dbraw/zinc/10/65/90/1068106590.db2.gz HDLHRIJJEDYGFT-UHFFFAOYSA-N 1 1 484.714 3.339 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001305047656 1068106720 /nfs/dbraw/zinc/10/67/20/1068106720.db2.gz LWAAUTDJVZPSAY-WOJBJXKFSA-N 1 1 472.600 3.369 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC2CC(F)C2)C1 ZINC001305048182 1068107057 /nfs/dbraw/zinc/10/70/57/1068107057.db2.gz FJBOLQZQOWNTRW-ZJRDLVKKSA-N 1 1 463.623 3.265 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCn2cccn2)C1 ZINC001305049107 1068108659 /nfs/dbraw/zinc/10/86/59/1068108659.db2.gz IDYUUXDXULNAJC-MRXNPFEDSA-N 1 1 461.412 3.101 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccnc3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001305049538 1068109800 /nfs/dbraw/zinc/10/98/00/1068109800.db2.gz PGIVABKSLBRDAH-QFIPXVFZSA-N 1 1 469.678 3.399 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC001305049559 1068109859 /nfs/dbraw/zinc/10/98/59/1068109859.db2.gz JIXZUAKGBAHPRM-QZTJIDSGSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303591176 1068111613 /nfs/dbraw/zinc/11/16/13/1068111613.db2.gz XZDQYRCKELHEME-QWFCFKBJSA-N 1 1 463.573 3.495 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001305050528 1068112545 /nfs/dbraw/zinc/11/25/45/1068112545.db2.gz SWERJCYHMYLLQY-QRVBRYPASA-N 1 1 486.583 3.289 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001305050527 1068112613 /nfs/dbraw/zinc/11/26/13/1068112613.db2.gz SWERJCYHMYLLQY-GUDVDZBRSA-N 1 1 486.583 3.289 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(C3CC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305050532 1068113110 /nfs/dbraw/zinc/11/31/10/1068113110.db2.gz SWILOKISEMYCMG-SJLPKXTDSA-N 1 1 456.557 3.172 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCOC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001305051098 1068113819 /nfs/dbraw/zinc/11/38/19/1068113819.db2.gz ZEHVLFXETGGCPA-SJORKVTESA-N 1 1 498.491 3.337 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001305051231 1068114250 /nfs/dbraw/zinc/11/42/50/1068114250.db2.gz ZTECELXFSYRLNY-NLINSNCNSA-N 1 1 466.655 3.370 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cn3ccc4ccccc43)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001305051339 1068114935 /nfs/dbraw/zinc/11/49/35/1068114935.db2.gz YZQBUDBHUJSALM-HXUWFJFHSA-N 1 1 465.646 3.364 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(F)(F)F)C1 ZINC001305051572 1068115078 /nfs/dbraw/zinc/11/50/78/1068115078.db2.gz PTQRQUFWQACXOC-HNNXBMFYSA-N 1 1 459.538 3.079 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001305051959 1068115607 /nfs/dbraw/zinc/11/56/07/1068115607.db2.gz YDABJDFARAZWMH-GOSISDBHSA-N 1 1 497.612 3.293 20 0 JGADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CC[N@@H+]1CC=CCC1 ZINC001303595037 1068116069 /nfs/dbraw/zinc/11/60/69/1068116069.db2.gz AZBFDVUZTSXUAS-LJQANCHMSA-N 1 1 466.611 3.203 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001305052399 1068116229 /nfs/dbraw/zinc/11/62/29/1068116229.db2.gz SRYGUWYKQJMUSA-LSDHHAIUSA-N 1 1 451.402 3.295 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccccc3Br)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001305052563 1068116896 /nfs/dbraw/zinc/11/68/96/1068116896.db2.gz UXNZTCGHSMIVJE-IAGOWNOFSA-N 1 1 475.435 3.106 20 0 JGADMO C[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001305053110 1068116957 /nfs/dbraw/zinc/11/69/57/1068116957.db2.gz HSUNOQBNCCAXOQ-DJJJIMSYSA-N 1 1 454.800 3.416 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(Br)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305052815 1068116991 /nfs/dbraw/zinc/11/69/91/1068116991.db2.gz VIXMTCDIPVMEMB-QFBILLFUSA-N 1 1 496.475 3.063 20 0 JGADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001303596403 1068120130 /nfs/dbraw/zinc/12/01/30/1068120130.db2.gz ONAHSFWNWIVDKK-SFHVURJKSA-N 1 1 485.658 3.154 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(N)=O)CC1 ZINC001305058533 1068121197 /nfs/dbraw/zinc/12/11/97/1068121197.db2.gz HQXFJZLRTBZJDN-AWEZNQCLSA-N 1 1 451.402 3.438 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1 ZINC001305058647 1068121253 /nfs/dbraw/zinc/12/12/53/1068121253.db2.gz IDNZTPZXEUMSSU-MOPGFXCFSA-N 1 1 464.680 3.430 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)cc1F ZINC001305058926 1068122210 /nfs/dbraw/zinc/12/22/10/1068122210.db2.gz JKIXHWRIVXGQAW-MRXNPFEDSA-N 1 1 455.513 3.324 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305058971 1068122606 /nfs/dbraw/zinc/12/26/06/1068122606.db2.gz KGGOJDZAPWUMED-QFBILLFUSA-N 1 1 452.024 3.096 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305059689 1068123879 /nfs/dbraw/zinc/12/38/79/1068123879.db2.gz NPXZHRTWXKJVCI-SFHVURJKSA-N 1 1 470.622 3.055 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001305059746 1068123946 /nfs/dbraw/zinc/12/39/46/1068123946.db2.gz OCFBGZGCQBCYJN-RBUKOAKNSA-N 1 1 455.607 3.270 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060009 1068124415 /nfs/dbraw/zinc/12/44/15/1068124415.db2.gz STMAWNJGXUUBNV-HKBOAZHASA-N 1 1 476.666 3.350 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060010 1068124461 /nfs/dbraw/zinc/12/44/61/1068124461.db2.gz STMAWNJGXUUBNV-NJDAHSKKSA-N 1 1 476.666 3.350 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001305060301 1068124521 /nfs/dbraw/zinc/12/45/21/1068124521.db2.gz VOHDIHCBKINEJC-DOTOQJQBSA-N 1 1 470.014 3.093 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001305060438 1068125207 /nfs/dbraw/zinc/12/52/07/1068125207.db2.gz BVFGDCJKQZEXRJ-CVEARBPZSA-N 1 1 452.575 3.235 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305060311 1068125316 /nfs/dbraw/zinc/12/53/16/1068125316.db2.gz VSYWVJINMTUKIH-MOPGFXCFSA-N 1 1 462.639 3.102 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001305061381 1068127138 /nfs/dbraw/zinc/12/71/38/1068127138.db2.gz ZLXWEZJOBFOQOK-LJQANCHMSA-N 1 1 476.616 3.178 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305062092 1068128817 /nfs/dbraw/zinc/12/88/17/1068128817.db2.gz WYVQXJDFFOTLCM-UONOGXRCSA-N 1 1 490.493 3.123 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305062517 1068129904 /nfs/dbraw/zinc/12/99/04/1068129904.db2.gz ZKMIQVXPDHCTCF-INIZCTEOSA-N 1 1 452.024 3.096 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001305062771 1068130607 /nfs/dbraw/zinc/13/06/07/1068130607.db2.gz QREOOUCHCWOJTJ-DLBZAZTESA-N 1 1 463.051 3.375 20 0 JGADMO C[C@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303602384 1068132089 /nfs/dbraw/zinc/13/20/89/1068132089.db2.gz MEYUTQMMXKTLBG-KNQAVFIVSA-N 1 1 450.587 3.014 20 0 JGADMO C[C@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303602382 1068132101 /nfs/dbraw/zinc/13/21/01/1068132101.db2.gz MEYUTQMMXKTLBG-DENIHFKCSA-N 1 1 450.587 3.014 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305063678 1068133423 /nfs/dbraw/zinc/13/34/23/1068133423.db2.gz YMNLIIFDVYZFAO-DENIHFKCSA-N 1 1 489.686 3.262 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303603883 1068136631 /nfs/dbraw/zinc/13/66/31/1068136631.db2.gz UNXAWNGHTZIYRW-HYHKQLJDSA-N 1 1 458.676 3.116 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303603883 1068136635 /nfs/dbraw/zinc/13/66/35/1068136635.db2.gz UNXAWNGHTZIYRW-HYHKQLJDSA-N 1 1 458.676 3.116 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303603883 1068136640 /nfs/dbraw/zinc/13/66/40/1068136640.db2.gz UNXAWNGHTZIYRW-HYHKQLJDSA-N 1 1 458.676 3.116 20 0 JGADMO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CC=CCC1 ZINC001303606739 1068141598 /nfs/dbraw/zinc/14/15/98/1068141598.db2.gz PWGJORWARYPCHN-QFIPXVFZSA-N 1 1 473.625 3.182 20 0 JGADMO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CC=CCC1 ZINC001303609582 1068144566 /nfs/dbraw/zinc/14/45/66/1068144566.db2.gz HGQMBFJDXWNRBL-IFMALSPDSA-N 1 1 452.603 3.047 20 0 JGADMO C[C@H](c1ccccc1F)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303613719 1068148024 /nfs/dbraw/zinc/14/80/24/1068148024.db2.gz SYJAAQSRNCLMIA-HXUWFJFHSA-N 1 1 485.652 3.124 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001305075066 1068149113 /nfs/dbraw/zinc/14/91/13/1068149113.db2.gz ARPGWNLKMLXGDU-RTBURBONSA-N 1 1 462.664 3.018 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001305084017 1068156038 /nfs/dbraw/zinc/15/60/38/1068156038.db2.gz UAZGKMMVCCJEQS-MOPGFXCFSA-N 1 1 461.680 3.451 20 0 JGADMO CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001305086614 1068156596 /nfs/dbraw/zinc/15/65/96/1068156596.db2.gz IWXZITZEGYZBQU-YADHBBJMSA-N 1 1 490.693 3.476 20 0 JGADMO C[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001305098562 1068165348 /nfs/dbraw/zinc/16/53/48/1068165348.db2.gz ZKACBJWWXMFNAI-ICSRJNTNSA-N 1 1 462.639 3.307 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104639 1068172564 /nfs/dbraw/zinc/17/25/64/1068172564.db2.gz ZOHUGXSEVWNYJO-XMMPIXPASA-N 1 1 454.663 3.379 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001303646048 1068174472 /nfs/dbraw/zinc/17/44/72/1068174472.db2.gz ORGUAGXQNKWOKO-HNAYVOBHSA-N 1 1 475.435 3.425 20 0 JGADMO CC1CC[NH+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001305106946 1068175162 /nfs/dbraw/zinc/17/51/62/1068175162.db2.gz IRGORHIYIHVUBH-GOSISDBHSA-N 1 1 477.597 3.081 20 0 JGADMO CC(C)Oc1cccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001305108383 1068177381 /nfs/dbraw/zinc/17/73/81/1068177381.db2.gz RTLPLKKGOUHQAK-QFIPXVFZSA-N 1 1 489.686 3.336 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001303651637 1068180730 /nfs/dbraw/zinc/18/07/30/1068180730.db2.gz CCIMVBAKCOPVHR-MOPGFXCFSA-N 1 1 479.629 3.314 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305111625 1068183509 /nfs/dbraw/zinc/18/35/09/1068183509.db2.gz BKMRWBNKIFPKQA-QHAWAJNXSA-N 1 1 462.683 3.278 20 0 JGADMO O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001303653030 1068183830 /nfs/dbraw/zinc/18/38/30/1068183830.db2.gz KIPHRKCBXFAZAA-QHAWAJNXSA-N 1 1 460.500 3.322 20 0 JGADMO O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001303653030 1068183833 /nfs/dbraw/zinc/18/38/33/1068183833.db2.gz KIPHRKCBXFAZAA-QHAWAJNXSA-N 1 1 460.500 3.322 20 0 JGADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C[C@H](C)O1 ZINC001305112127 1068185219 /nfs/dbraw/zinc/18/52/19/1068185219.db2.gz FTQVXLGAYIYDTJ-UNVFRBQDSA-N 1 1 490.693 3.043 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C[C@H](C)O1 ZINC001305112127 1068185225 /nfs/dbraw/zinc/18/52/25/1068185225.db2.gz FTQVXLGAYIYDTJ-UNVFRBQDSA-N 1 1 490.693 3.043 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001303654442 1068186695 /nfs/dbraw/zinc/18/66/95/1068186695.db2.gz VINWVWXSLYEYQU-ZJSXRUAMSA-N 1 1 475.641 3.266 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N(C)[C@@H]2CCOC2)C[C@H](C)O1 ZINC001305112549 1068186671 /nfs/dbraw/zinc/18/66/71/1068186671.db2.gz MIBGPEUSERWZES-CEXWTWQISA-N 1 1 461.582 3.109 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCC3=O)CC2)C[C@H](C)O1 ZINC001305112553 1068187525 /nfs/dbraw/zinc/18/75/25/1068187525.db2.gz MIFICRJUCYDGBA-BGYRXZFFSA-N 1 1 474.694 3.346 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@H](C)O1 ZINC001305112727 1068188004 /nfs/dbraw/zinc/18/80/04/1068188004.db2.gz OZWOVQBXQYYRBF-HSALFYBXSA-N 1 1 463.667 3.454 20 0 JGADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305113453 1068190026 /nfs/dbraw/zinc/19/00/26/1068190026.db2.gz ULMHQKOMXGTAAT-IYBDPMFKSA-N 1 1 471.568 3.466 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305113453 1068190028 /nfs/dbraw/zinc/19/00/28/1068190028.db2.gz ULMHQKOMXGTAAT-IYBDPMFKSA-N 1 1 471.568 3.466 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N(C)Cc2cnccn2)C[C@H](C)O1 ZINC001305113699 1068190697 /nfs/dbraw/zinc/19/06/97/1068190697.db2.gz VXSXHQDDDTXGHP-OYRHEFFESA-N 1 1 463.630 3.378 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305114073 1068191226 /nfs/dbraw/zinc/19/12/26/1068191226.db2.gz XHYIFGXXFZCQFC-BBWFWOEESA-N 1 1 459.557 3.449 20 0 JGADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccco2)C[C@@H](C)O1 ZINC001305114374 1068191625 /nfs/dbraw/zinc/19/16/25/1068191625.db2.gz RVBPZXKLFAUYCH-QZTJIDSGSA-N 1 1 467.574 3.043 20 0 JGADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2)C[C@@H](C)O1 ZINC001305115408 1068194384 /nfs/dbraw/zinc/19/43/84/1068194384.db2.gz YDZVZMUYSMJDLL-WOJBJXKFSA-N 1 1 454.619 3.038 20 0 JGADMO C[C@H](CCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001303667658 1068202514 /nfs/dbraw/zinc/20/25/14/1068202514.db2.gz TWCSTBWNANRLHS-LJQANCHMSA-N 1 1 463.630 3.143 20 0 JGADMO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C)C(=O)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303668518 1068202991 /nfs/dbraw/zinc/20/29/91/1068202991.db2.gz NAENKWFRGIQPGF-URVUXULASA-N 1 1 454.619 3.097 20 0 JGADMO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC001303669016 1068203340 /nfs/dbraw/zinc/20/33/40/1068203340.db2.gz RQJPJIPEIXQWDN-PZJWPPBQSA-N 1 1 454.619 3.418 20 0 JGADMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CCC(=O)c2ccccn2)CC1 ZINC001303674246 1068211973 /nfs/dbraw/zinc/21/19/73/1068211973.db2.gz AEXDNLRIOMZYEJ-BGYRXZFFSA-N 1 1 456.587 3.119 20 0 JGADMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C[C@](C)(O)c2ccccc2)CC1 ZINC001303680053 1068216684 /nfs/dbraw/zinc/21/66/84/1068216684.db2.gz VXWVZIATXJEBBQ-VRUMLPLGSA-N 1 1 457.615 3.359 20 0 JGADMO CN(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001303679153 1068216809 /nfs/dbraw/zinc/21/68/09/1068216809.db2.gz RHRYAHPMNNSMPQ-XPWALMASSA-N 1 1 456.631 3.364 20 0 JGADMO CN(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001303679155 1068216858 /nfs/dbraw/zinc/21/68/58/1068216858.db2.gz RHRYAHPMNNSMPQ-ZRBLBEILSA-N 1 1 456.631 3.364 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305132802 1068218655 /nfs/dbraw/zinc/21/86/55/1068218655.db2.gz JVNPIBWWHDFCHQ-WERVVEIQSA-N 1 1 461.582 3.018 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)C[C@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001303682479 1068219047 /nfs/dbraw/zinc/21/90/47/1068219047.db2.gz DSHWXTXIJJSXAQ-PZJWPPBQSA-N 1 1 469.659 3.317 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001305133298 1068219374 /nfs/dbraw/zinc/21/93/74/1068219374.db2.gz MANZQGFJECJXFD-IRXDYDNUSA-N 1 1 488.649 3.024 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001305133296 1068219606 /nfs/dbraw/zinc/21/96/06/1068219606.db2.gz MANZQGFJECJXFD-DLBZAZTESA-N 1 1 488.649 3.024 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCC(=O)N(C)C ZINC001305133998 1068221174 /nfs/dbraw/zinc/22/11/74/1068221174.db2.gz OAXHNXYTJZCVJL-MOPGFXCFSA-N 1 1 472.609 3.346 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)[NH+]2CCOCC2)CC(C)(C)O1 ZINC001305136587 1068226470 /nfs/dbraw/zinc/22/64/70/1068226470.db2.gz WZFIKWBZCPWTQE-INIZCTEOSA-N 1 1 495.466 3.161 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001305137932 1068229014 /nfs/dbraw/zinc/22/90/14/1068229014.db2.gz NKMLQBZIRKOKIM-MRXNPFEDSA-N 1 1 492.466 3.215 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC001305138720 1068231977 /nfs/dbraw/zinc/23/19/77/1068231977.db2.gz QYJKUAQFXGXTDJ-QZTJIDSGSA-N 1 1 478.588 3.186 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001305138720 1068231979 /nfs/dbraw/zinc/23/19/79/1068231979.db2.gz QYJKUAQFXGXTDJ-QZTJIDSGSA-N 1 1 478.588 3.186 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001305138720 1068231986 /nfs/dbraw/zinc/23/19/86/1068231986.db2.gz QYJKUAQFXGXTDJ-QZTJIDSGSA-N 1 1 478.588 3.186 20 0 JGADMO C[C@H](Cc1cccs1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305139188 1068232364 /nfs/dbraw/zinc/23/23/64/1068232364.db2.gz WEKOMKVKICQAMP-CEXWTWQISA-N 1 1 494.731 3.139 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCCO[C@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305140605 1068234382 /nfs/dbraw/zinc/23/43/82/1068234382.db2.gz VHWWUQDSCGGKFJ-MOPGFXCFSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCCO[C@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305140605 1068234390 /nfs/dbraw/zinc/23/43/90/1068234390.db2.gz VHWWUQDSCGGKFJ-MOPGFXCFSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC001305141202 1068235612 /nfs/dbraw/zinc/23/56/12/1068235612.db2.gz FJTBXBGBXRFFEK-KRWDZBQOSA-N 1 1 478.435 3.434 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCOCCCO)CC[N@H+](C2CCC2)C1 ZINC001305141350 1068236348 /nfs/dbraw/zinc/23/63/48/1068236348.db2.gz APENUDWHLLLINK-MRXNPFEDSA-N 1 1 498.491 3.479 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001303694513 1068237196 /nfs/dbraw/zinc/23/71/96/1068237196.db2.gz FEFCEFBRAVCLDW-WMZOPIPTSA-N 1 1 496.628 3.160 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001305141749 1068237336 /nfs/dbraw/zinc/23/73/36/1068237336.db2.gz DFAUPEQONVAMFT-HUUCEWRRSA-N 1 1 484.464 3.494 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001305141749 1068237352 /nfs/dbraw/zinc/23/73/52/1068237352.db2.gz DFAUPEQONVAMFT-HUUCEWRRSA-N 1 1 484.464 3.494 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCOCC1 ZINC001303695764 1068239014 /nfs/dbraw/zinc/23/90/14/1068239014.db2.gz KFJGQLZSZPRHEX-FXAWDEMLSA-N 1 1 478.435 3.434 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC001303695766 1068239159 /nfs/dbraw/zinc/23/91/59/1068239159.db2.gz KFJGQLZSZPRHEX-XLIONFOSSA-N 1 1 478.435 3.434 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC(C)(C)O1 ZINC001305142669 1068240175 /nfs/dbraw/zinc/24/01/75/1068240175.db2.gz GRAWWGOFZSWNDT-IBGZPJMESA-N 1 1 489.686 3.474 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001303698306 1068241536 /nfs/dbraw/zinc/24/15/36/1068241536.db2.gz CWPIITKSBSIEBH-HZPDHXFCSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)CN1CCOCC1)[N@@H+](C)C1CC1 ZINC001303700049 1068242665 /nfs/dbraw/zinc/24/26/65/1068242665.db2.gz AIXDISSGJBPQCK-IBGZPJMESA-N 1 1 458.626 3.362 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC001303701178 1068244478 /nfs/dbraw/zinc/24/44/78/1068244478.db2.gz VSALZKFQZSBAII-QZTJIDSGSA-N 1 1 478.435 3.291 20 0 JGADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303702867 1068246948 /nfs/dbraw/zinc/24/69/48/1068246948.db2.gz GHLAOAHWUIRNBM-HKUYNNGSSA-N 1 1 455.607 3.316 20 0 JGADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303703277 1068247530 /nfs/dbraw/zinc/24/75/30/1068247530.db2.gz NSODWFDEPPZGOI-FQEVSTJZSA-N 1 1 499.660 3.144 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303706247 1068250687 /nfs/dbraw/zinc/25/06/87/1068250687.db2.gz WTALZPZLWDSVCG-QGZVFWFLSA-N 1 1 457.623 3.497 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001305149405 1068253960 /nfs/dbraw/zinc/25/39/60/1068253960.db2.gz UZXOQNPWYYQGCF-XLIONFOSSA-N 1 1 475.037 3.060 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC001303714346 1068260295 /nfs/dbraw/zinc/26/02/95/1068260295.db2.gz YEBNPRWJSOAKCF-KSSFIOAISA-N 1 1 450.509 3.367 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001305153193 1068261233 /nfs/dbraw/zinc/26/12/33/1068261233.db2.gz XZCJBWBZCBRXBW-SIKLNZKXSA-N 1 1 461.054 3.486 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303715545 1068261766 /nfs/dbraw/zinc/26/17/66/1068261766.db2.gz DCEIGEHLVKADRS-CTNGQTDRSA-N 1 1 480.579 3.377 20 0 JGADMO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CCC2)CC1)[NH+](C)C ZINC001303715185 1068261903 /nfs/dbraw/zinc/26/19/03/1068261903.db2.gz BAEZXDJENPXMOW-LJQANCHMSA-N 1 1 475.682 3.017 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)S1 ZINC001305154898 1068263472 /nfs/dbraw/zinc/26/34/72/1068263472.db2.gz PHVGGIIOWGPBBT-QEEYODRMSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C)S1 ZINC001305154900 1068263493 /nfs/dbraw/zinc/26/34/93/1068263493.db2.gz PHVGGIIOWGPBBT-SXGZJXTBSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303716214 1068263714 /nfs/dbraw/zinc/26/37/14/1068263714.db2.gz DPKJACBRQULFPA-RTBURBONSA-N 1 1 476.666 3.491 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305156696 1068265234 /nfs/dbraw/zinc/26/52/34/1068265234.db2.gz HVMQDLAMWNJCTP-QGZVFWFLSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303719600 1068268551 /nfs/dbraw/zinc/26/85/51/1068268551.db2.gz YNWVJYPAAWZFQB-XUZZJYLKSA-N 1 1 482.673 3.387 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303719601 1068268608 /nfs/dbraw/zinc/26/86/08/1068268608.db2.gz YNWVJYPAAWZFQB-ZJSXRUAMSA-N 1 1 482.673 3.387 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001305163798 1068273106 /nfs/dbraw/zinc/27/31/06/1068273106.db2.gz IMHHPLAJGGCURR-RTBURBONSA-N 1 1 484.649 3.207 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)N1CCOCC1 ZINC001303723416 1068273858 /nfs/dbraw/zinc/27/38/58/1068273858.db2.gz GRVJESQVBSAWBJ-QFIPXVFZSA-N 1 1 454.663 3.300 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+](C)C2CCCCC2)CCN1CC(F)(F)F ZINC001305164694 1068274789 /nfs/dbraw/zinc/27/47/89/1068274789.db2.gz NCQMZQXFKIYVDJ-GOSISDBHSA-N 1 1 482.599 3.406 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303724322 1068276073 /nfs/dbraw/zinc/27/60/73/1068276073.db2.gz LTGKMSSDWSLYKJ-PZJWPPBQSA-N 1 1 461.676 3.401 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303724322 1068276086 /nfs/dbraw/zinc/27/60/86/1068276086.db2.gz LTGKMSSDWSLYKJ-PZJWPPBQSA-N 1 1 461.676 3.401 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303724321 1068276110 /nfs/dbraw/zinc/27/61/10/1068276110.db2.gz LTGKMSSDWSLYKJ-FPOVZHCZSA-N 1 1 461.676 3.401 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303724321 1068276121 /nfs/dbraw/zinc/27/61/21/1068276121.db2.gz LTGKMSSDWSLYKJ-FPOVZHCZSA-N 1 1 461.676 3.401 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001305168840 1068279803 /nfs/dbraw/zinc/27/98/03/1068279803.db2.gz BYMTWQGFFWAOLE-PKOBYXMFSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCC3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001305168840 1068279812 /nfs/dbraw/zinc/27/98/12/1068279812.db2.gz BYMTWQGFFWAOLE-PKOBYXMFSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303729208 1068284628 /nfs/dbraw/zinc/28/46/28/1068284628.db2.gz SBIQIABDJVNCBD-HBMCJLEFSA-N 1 1 482.604 3.416 20 0 JGADMO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303729208 1068284640 /nfs/dbraw/zinc/28/46/40/1068284640.db2.gz SBIQIABDJVNCBD-HBMCJLEFSA-N 1 1 482.604 3.416 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[N@@H+](C)C1CC1 ZINC001303731222 1068286037 /nfs/dbraw/zinc/28/60/37/1068286037.db2.gz IUPSPCQDSLXNNJ-HYHKQLJDSA-N 1 1 452.628 3.120 20 0 JGADMO C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001303734888 1068291406 /nfs/dbraw/zinc/29/14/06/1068291406.db2.gz QOKDNHVNMCULFZ-NRFANRHFSA-N 1 1 467.687 3.291 20 0 JGADMO C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001303735197 1068292423 /nfs/dbraw/zinc/29/24/23/1068292423.db2.gz WFCJRNIKQJSKNN-LXFBAYGMSA-N 1 1 497.732 3.234 20 0 JGADMO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001303735783 1068293422 /nfs/dbraw/zinc/29/34/22/1068293422.db2.gz DPEURWJAZMCMID-VQTJNVASSA-N 1 1 477.053 3.009 20 0 JGADMO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCSC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303736419 1068294563 /nfs/dbraw/zinc/29/45/63/1068294563.db2.gz LVKPIYMWLFMCEC-IBGZPJMESA-N 1 1 456.660 3.253 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC(C)(C)C1 ZINC001305179396 1068294722 /nfs/dbraw/zinc/29/47/22/1068294722.db2.gz AOVIMQXOOFXTPB-FHWLQOOXSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC(C)(C)C1 ZINC001305179396 1068294730 /nfs/dbraw/zinc/29/47/30/1068294730.db2.gz AOVIMQXOOFXTPB-FHWLQOOXSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCCO1 ZINC001305180367 1068296566 /nfs/dbraw/zinc/29/65/66/1068296566.db2.gz REEYTBNOICKOMJ-SFTDATJTSA-N 1 1 494.681 3.372 20 0 JGADMO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC001303737749 1068296516 /nfs/dbraw/zinc/29/65/16/1068296516.db2.gz SFIUHZHBWADMFS-MRXNPFEDSA-N 1 1 475.435 3.282 20 0 JGADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(Br)C1)[N@@H+](C)C1CC1 ZINC001303738576 1068298185 /nfs/dbraw/zinc/29/81/85/1068298185.db2.gz YXSSOJHHEKHKQN-AWEZNQCLSA-N 1 1 479.448 3.241 20 0 JGADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1Nc1cnn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC001303738639 1068298223 /nfs/dbraw/zinc/29/82/23/1068298223.db2.gz ZYFUVELOTUAPLD-KRWDZBQOSA-N 1 1 464.599 3.267 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@H](C)C1 ZINC001305182294 1068299466 /nfs/dbraw/zinc/29/94/66/1068299466.db2.gz YLVXXGNAWWMKHL-LJQANCHMSA-N 1 1 464.655 3.348 20 0 JGADMO C[C@H](Cn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739733 1068300051 /nfs/dbraw/zinc/30/00/51/1068300051.db2.gz VRELXYKLVODNBP-WIYYLYMNSA-N 1 1 456.610 3.261 20 0 JGADMO C[C@@H](Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739731 1068300362 /nfs/dbraw/zinc/30/03/62/1068300362.db2.gz VRELXYKLVODNBP-RXVVDRJESA-N 1 1 456.610 3.261 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001305185676 1068303902 /nfs/dbraw/zinc/30/39/02/1068303902.db2.gz NQFLIGNZOXQXFZ-KZNAEPCWSA-N 1 1 461.573 3.380 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305186947 1068305756 /nfs/dbraw/zinc/30/57/56/1068305756.db2.gz SFZWEMBDNIAFKS-OALUTQOASA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001305188060 1068307520 /nfs/dbraw/zinc/30/75/20/1068307520.db2.gz MKMYJDFKUDLMMG-KOSHJBKYSA-N 1 1 463.573 3.262 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001303754221 1068316705 /nfs/dbraw/zinc/31/67/05/1068316705.db2.gz GTZKNARZDCVLGA-SFHVURJKSA-N 1 1 465.017 3.236 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)S1 ZINC001305193811 1068318088 /nfs/dbraw/zinc/31/80/88/1068318088.db2.gz XNUXCLXONNAVLH-OALUTQOASA-N 1 1 460.667 3.364 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305193811 1068318106 /nfs/dbraw/zinc/31/81/06/1068318106.db2.gz XNUXCLXONNAVLH-OALUTQOASA-N 1 1 460.667 3.364 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305193811 1068318125 /nfs/dbraw/zinc/31/81/25/1068318125.db2.gz XNUXCLXONNAVLH-OALUTQOASA-N 1 1 460.667 3.364 20 0 JGADMO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C[NH+]1CCOCC1 ZINC001303756632 1068320338 /nfs/dbraw/zinc/32/03/38/1068320338.db2.gz UNKYOYHVTVAKTD-WEMPKCCASA-N 1 1 478.037 3.247 20 0 JGADMO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCCC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305202497 1068326966 /nfs/dbraw/zinc/32/69/66/1068326966.db2.gz AFUQQXKDQPKKRL-AZUAARDMSA-N 1 1 467.536 3.399 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(OC(F)F)c1)C[NH+]1CCOCC1 ZINC001303760937 1068327745 /nfs/dbraw/zinc/32/77/45/1068327745.db2.gz DFKJCTPHVKXGCQ-YLJYHZDGSA-N 1 1 465.545 3.336 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)S1 ZINC001305205539 1068331651 /nfs/dbraw/zinc/33/16/51/1068331651.db2.gz DWNIXOJPBJIBFT-NHCUHLMSSA-N 1 1 456.704 3.420 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)S1 ZINC001305205539 1068331668 /nfs/dbraw/zinc/33/16/68/1068331668.db2.gz DWNIXOJPBJIBFT-NHCUHLMSSA-N 1 1 456.704 3.420 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)S1 ZINC001305205539 1068331679 /nfs/dbraw/zinc/33/16/79/1068331679.db2.gz DWNIXOJPBJIBFT-NHCUHLMSSA-N 1 1 456.704 3.420 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001303764593 1068335184 /nfs/dbraw/zinc/33/51/84/1068335184.db2.gz VABPFKFRNVNEGT-WOIUINJBSA-N 1 1 489.583 3.066 20 0 JGADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCSC(C)(C)C1)C[NH+]1CCOCC1 ZINC001303764971 1068335509 /nfs/dbraw/zinc/33/55/09/1068335509.db2.gz WNYCIJFSKLRVLM-GOSISDBHSA-N 1 1 463.623 3.296 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001303765236 1068336604 /nfs/dbraw/zinc/33/66/04/1068336604.db2.gz XPQOFOMCFFHCHS-UQBPGWFLSA-N 1 1 493.599 3.202 20 0 JGADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCCO1 ZINC001305208652 1068337843 /nfs/dbraw/zinc/33/78/43/1068337843.db2.gz JNVGPOLIIVXYAA-HKUYNNGSSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303766382 1068338114 /nfs/dbraw/zinc/33/81/14/1068338114.db2.gz RZLPRXBDUAYSOE-SFHVURJKSA-N 1 1 472.638 3.207 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303769407 1068342634 /nfs/dbraw/zinc/34/26/34/1068342634.db2.gz QJDIQFDSBPVQCJ-SBHAEUEKSA-N 1 1 469.634 3.098 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1C(C)(C)C ZINC001303770546 1068344472 /nfs/dbraw/zinc/34/44/72/1068344472.db2.gz YWGYRFFMHWERLN-OALUTQOASA-N 1 1 478.682 3.426 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305214854 1068348673 /nfs/dbraw/zinc/34/86/73/1068348673.db2.gz LIIJNSTZDCEHAM-PZJWPPBQSA-N 1 1 475.609 3.237 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303772210 1068349509 /nfs/dbraw/zinc/34/95/09/1068349509.db2.gz WSLWIPSAZYDNLL-NVXWUHKLSA-N 1 1 463.007 3.242 20 0 JGADMO COC[C@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001303773406 1068352386 /nfs/dbraw/zinc/35/23/86/1068352386.db2.gz GAUABRMIESOIJR-UFPGJGBJSA-N 1 1 457.615 3.241 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C[C@H](C)S1 ZINC001305218431 1068355460 /nfs/dbraw/zinc/35/54/60/1068355460.db2.gz ZPJRJGOSXRVAPT-ROUUACIJSA-N 1 1 463.623 3.437 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C[C@H](C)S1 ZINC001305218431 1068355470 /nfs/dbraw/zinc/35/54/70/1068355470.db2.gz ZPJRJGOSXRVAPT-ROUUACIJSA-N 1 1 463.623 3.437 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CC(C)(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001305220418 1068357504 /nfs/dbraw/zinc/35/75/04/1068357504.db2.gz FSFLWLHLYCKIHB-QUCCMNQESA-N 1 1 459.660 3.186 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CC(C)(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001305220417 1068357781 /nfs/dbraw/zinc/35/77/81/1068357781.db2.gz FSFLWLHLYCKIHB-ICSRJNTNSA-N 1 1 459.660 3.186 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305220995 1068358653 /nfs/dbraw/zinc/35/86/53/1068358653.db2.gz HZUHOJPKEMPWDT-AOHZBQACSA-N 1 1 455.647 3.424 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001303780579 1068358780 /nfs/dbraw/zinc/35/87/80/1068358780.db2.gz JLJQOYGTLNJHRS-FQEVSTJZSA-N 1 1 473.687 3.329 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001303780579 1068358783 /nfs/dbraw/zinc/35/87/83/1068358783.db2.gz JLJQOYGTLNJHRS-FQEVSTJZSA-N 1 1 473.687 3.329 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CCOc2ccccc2)n1CCN(C)CC(F)(F)F ZINC001305221208 1068359230 /nfs/dbraw/zinc/35/92/30/1068359230.db2.gz GURDWFOWGPCYFW-RBUKOAKNSA-N 1 1 466.552 3.067 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(Cl)s2)CCCO1 ZINC001305221402 1068360111 /nfs/dbraw/zinc/36/01/11/1068360111.db2.gz JZUVHVSSWWFMEE-KRWDZBQOSA-N 1 1 481.066 3.253 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2c(F)cccc2F)n1CCCCCS(C)(=O)=O ZINC001305221605 1068360952 /nfs/dbraw/zinc/36/09/52/1068360952.db2.gz IEFGGWJWTOTEDC-ZWKOTPCHSA-N 1 1 481.613 3.035 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CCCN(c4nccs4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305221751 1068361535 /nfs/dbraw/zinc/36/15/35/1068361535.db2.gz LNSPWXUPEXESQR-IBGZPJMESA-N 1 1 461.680 3.250 20 0 JGADMO CC(F)(F)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303782450 1068361809 /nfs/dbraw/zinc/36/18/09/1068361809.db2.gz LNAKISJBAYBTMA-QGZVFWFLSA-N 1 1 453.559 3.068 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305222550 1068362866 /nfs/dbraw/zinc/36/28/66/1068362866.db2.gz PHQVLQLMSSASLN-RTWAWAEBSA-N 1 1 459.660 3.342 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC001305223145 1068364310 /nfs/dbraw/zinc/36/43/10/1068364310.db2.gz RQNDUAALJAZXLT-VQTJNVASSA-N 1 1 461.582 3.112 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303783382 1068364610 /nfs/dbraw/zinc/36/46/10/1068364610.db2.gz RPMSAAKCBILATL-KNQAVFIVSA-N 1 1 486.686 3.271 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303783382 1068364621 /nfs/dbraw/zinc/36/46/21/1068364621.db2.gz RPMSAAKCBILATL-KNQAVFIVSA-N 1 1 486.686 3.271 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305224157 1068366308 /nfs/dbraw/zinc/36/63/08/1068366308.db2.gz QORGDQWTJPTATF-KURKYZTESA-N 1 1 484.592 3.005 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305224209 1068366846 /nfs/dbraw/zinc/36/68/46/1068366846.db2.gz QUAUHUAWXUJTLJ-PUFAWVJESA-N 1 1 476.666 3.430 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CCC(NC(=O)c4ccccc4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305224473 1068366917 /nfs/dbraw/zinc/36/69/17/1068366917.db2.gz XMPMENCRLVJWAT-NRFANRHFSA-N 1 1 482.673 3.475 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305224605 1068367038 /nfs/dbraw/zinc/36/70/38/1068367038.db2.gz YBOZSJPOXWZRLP-ZRZAMGCNSA-N 1 1 454.663 3.093 20 0 JGADMO CC(F)(F)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303786645 1068367302 /nfs/dbraw/zinc/36/73/02/1068367302.db2.gz GFSINFHMMCPULX-INIZCTEOSA-N 1 1 455.500 3.351 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224672 1068367615 /nfs/dbraw/zinc/36/76/15/1068367615.db2.gz YLUIUKHIWGVAAW-VQTJNVASSA-N 1 1 462.683 3.208 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(Nc3cnn(C)c3)nnc2-c2cc(Br)c[nH]2)C[C@H](C)O1 ZINC001305224683 1068367773 /nfs/dbraw/zinc/36/77/73/1068367773.db2.gz YLURDXLZPAWKQE-OKILXGFUSA-N 1 1 463.384 3.012 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305225065 1068368172 /nfs/dbraw/zinc/36/81/72/1068368172.db2.gz SVNOFZNDNYPRSH-QYZOEREBSA-N 1 1 462.639 3.496 20 0 JGADMO C[C@@H](N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1)C(F)(F)F ZINC001303793048 1068377704 /nfs/dbraw/zinc/37/77/04/1068377704.db2.gz NVNUYFSVAYQTCI-GOSISDBHSA-N 1 1 498.569 3.192 20 0 JGADMO C[C@@H](N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1)C(F)(F)F ZINC001303793048 1068377721 /nfs/dbraw/zinc/37/77/21/1068377721.db2.gz NVNUYFSVAYQTCI-GOSISDBHSA-N 1 1 498.569 3.192 20 0 JGADMO C[C@@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305231930 1068378057 /nfs/dbraw/zinc/37/80/57/1068378057.db2.gz XVLZIRSHTMLVQM-MRXNPFEDSA-N 1 1 495.441 3.098 20 0 JGADMO C[C@@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305231930 1068378074 /nfs/dbraw/zinc/37/80/74/1068378074.db2.gz XVLZIRSHTMLVQM-MRXNPFEDSA-N 1 1 495.441 3.098 20 0 JGADMO C[C@@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305231930 1068378087 /nfs/dbraw/zinc/37/80/87/1068378087.db2.gz XVLZIRSHTMLVQM-MRXNPFEDSA-N 1 1 495.441 3.098 20 0 JGADMO C[C@@H](N1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001303794712 1068380151 /nfs/dbraw/zinc/38/01/51/1068380151.db2.gz COKBJKXCRMMMKO-IEBWSBKVSA-N 1 1 458.573 3.467 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(CCCCO)C1CC1 ZINC001305233556 1068380515 /nfs/dbraw/zinc/38/05/15/1068380515.db2.gz CQINWGQNAYEPKB-INIZCTEOSA-N 1 1 451.974 3.200 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(CCCCO)C1CC1 ZINC001305233556 1068380522 /nfs/dbraw/zinc/38/05/22/1068380522.db2.gz CQINWGQNAYEPKB-INIZCTEOSA-N 1 1 451.974 3.200 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCCCO ZINC001305234660 1068384090 /nfs/dbraw/zinc/38/40/90/1068384090.db2.gz UVQZSIDIOHFRJY-MRXNPFEDSA-N 1 1 484.414 3.166 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCCCO ZINC001305234660 1068384108 /nfs/dbraw/zinc/38/41/08/1068384108.db2.gz UVQZSIDIOHFRJY-MRXNPFEDSA-N 1 1 484.414 3.166 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001305235035 1068385669 /nfs/dbraw/zinc/38/56/69/1068385669.db2.gz ZRWQDTKPWFPGKS-KRWDZBQOSA-N 1 1 463.026 3.498 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001305235035 1068385679 /nfs/dbraw/zinc/38/56/79/1068385679.db2.gz ZRWQDTKPWFPGKS-KRWDZBQOSA-N 1 1 463.026 3.498 20 0 JGADMO CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC001303798377 1068389862 /nfs/dbraw/zinc/38/98/62/1068389862.db2.gz ANSBBSWFXNOYBP-GVAOLFSASA-N 1 1 451.567 3.137 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303800257 1068394187 /nfs/dbraw/zinc/39/41/87/1068394187.db2.gz XYZBYAKFUCWEPQ-WOJBJXKFSA-N 1 1 499.660 3.190 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303800257 1068394203 /nfs/dbraw/zinc/39/42/03/1068394203.db2.gz XYZBYAKFUCWEPQ-WOJBJXKFSA-N 1 1 499.660 3.190 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001303800489 1068395273 /nfs/dbraw/zinc/39/52/73/1068395273.db2.gz YUQYWJJZGQLQFU-OALUTQOASA-N 1 1 472.638 3.205 20 0 JGADMO C[C@@H]1N(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCOC1(C)C ZINC001305243701 1068396232 /nfs/dbraw/zinc/39/62/32/1068396232.db2.gz OTVXNKOUCRILAK-PKOBYXMFSA-N 1 1 474.675 3.394 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303801281 1068396842 /nfs/dbraw/zinc/39/68/42/1068396842.db2.gz VIOJSEOTOUWPAX-PMACEKPBSA-N 1 1 482.633 3.127 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CC1(C)C ZINC001303805608 1068409492 /nfs/dbraw/zinc/40/94/92/1068409492.db2.gz GCYXQZPHHAUILW-JBACZVJFSA-N 1 1 474.675 3.035 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001303811490 1068420504 /nfs/dbraw/zinc/42/05/04/1068420504.db2.gz XILHCPZTCKCPBK-NVXWUHKLSA-N 1 1 499.056 3.334 20 0 JGADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001305258956 1068425006 /nfs/dbraw/zinc/42/50/06/1068425006.db2.gz YDRCIBFBRHHSGC-XHSDSOJGSA-N 1 1 483.480 3.097 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001305266342 1068449479 /nfs/dbraw/zinc/44/94/79/1068449479.db2.gz ILPWGLNIWNWAMH-NZQKXSOJSA-N 1 1 468.646 3.167 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303828490 1068449687 /nfs/dbraw/zinc/44/96/87/1068449687.db2.gz AUQFUWPRCGLZJE-PZJWPPBQSA-N 1 1 474.675 3.147 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303830947 1068455384 /nfs/dbraw/zinc/45/53/84/1068455384.db2.gz MRXJGYQHEMUZGM-AZUAARDMSA-N 1 1 492.665 3.143 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCCCn2cc[nH+]c2C)C1 ZINC001305267712 1068455432 /nfs/dbraw/zinc/45/54/32/1068455432.db2.gz WKQWHCVFFNXIDL-OAQYLSRUSA-N 1 1 465.602 3.434 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001305273483 1068475392 /nfs/dbraw/zinc/47/53/92/1068475392.db2.gz YLJLEGAUOCEZLP-QUCCMNQESA-N 1 1 475.037 3.347 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305276469 1068478209 /nfs/dbraw/zinc/47/82/09/1068478209.db2.gz IIWPYMXMTFSONX-NNXSRULWSA-N 1 1 474.694 3.424 20 0 JGADMO CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001305280210 1068483363 /nfs/dbraw/zinc/48/33/63/1068483363.db2.gz ZFMIIFWOOFEMHN-DEOSSOPVSA-N 1 1 475.659 3.086 20 0 JGADMO CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001305280213 1068483402 /nfs/dbraw/zinc/48/34/02/1068483402.db2.gz ZFMIIFWOOFEMHN-XMMPIXPASA-N 1 1 475.659 3.086 20 0 JGADMO CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305283963 1068485350 /nfs/dbraw/zinc/48/53/50/1068485350.db2.gz BDUMBZPSVZVSPJ-UHFFFAOYSA-N 1 1 484.693 3.435 20 0 JGADMO CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305283963 1068485352 /nfs/dbraw/zinc/48/53/52/1068485352.db2.gz BDUMBZPSVZVSPJ-UHFFFAOYSA-N 1 1 484.693 3.435 20 0 JGADMO CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[NH+](CCOC)CC1 ZINC001305284538 1068485964 /nfs/dbraw/zinc/48/59/64/1068485964.db2.gz ZAZCXILHVAPQOR-UHFFFAOYSA-N 1 1 481.645 3.441 20 0 JGADMO CC[C@@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305287843 1068490161 /nfs/dbraw/zinc/49/01/61/1068490161.db2.gz LASYWKJAIUWFDR-KBMIEXCESA-N 1 1 485.608 3.164 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303856368 1068496426 /nfs/dbraw/zinc/49/64/26/1068496426.db2.gz VHLYDLRMMXCIBK-WDSOQIARSA-N 1 1 480.704 3.412 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC1CCC(F)(F)CC1 ZINC001303858090 1068498809 /nfs/dbraw/zinc/49/88/09/1068498809.db2.gz PHXFVCTYXLCLCX-KRWDZBQOSA-N 1 1 488.649 3.169 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303858990 1068499970 /nfs/dbraw/zinc/49/99/70/1068499970.db2.gz ZFVYMCRJAPYKLX-ZJRDLVKKSA-N 1 1 466.696 3.340 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCC1(F)CCC1 ZINC001303859016 1068499983 /nfs/dbraw/zinc/49/99/83/1068499983.db2.gz HHWNHRWUHJEBCO-IRXDYDNUSA-N 1 1 484.667 3.115 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCC1=CCCCC1 ZINC001303865107 1068501956 /nfs/dbraw/zinc/50/19/56/1068501956.db2.gz MJWNUUVKTJEMMY-GOSISDBHSA-N 1 1 478.688 3.163 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297569 1068504990 /nfs/dbraw/zinc/50/49/90/1068504990.db2.gz WMXNHUFGLDHLDY-CEYNDMKZSA-N 1 1 452.603 3.200 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297569 1068505003 /nfs/dbraw/zinc/50/50/03/1068505003.db2.gz WMXNHUFGLDHLDY-CEYNDMKZSA-N 1 1 452.603 3.200 20 0 JGADMO C[C@@](O)(C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CC1)C(F)(F)F ZINC001303875926 1068510775 /nfs/dbraw/zinc/51/07/75/1068510775.db2.gz DNFPHIWHSWNKTP-FDDCHVKYSA-N 1 1 499.553 3.461 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305303647 1068512900 /nfs/dbraw/zinc/51/29/00/1068512900.db2.gz ZNEORHFHDVEODD-MZNJEOGPSA-N 1 1 479.572 3.397 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCSCCCO ZINC001303895840 1068534411 /nfs/dbraw/zinc/53/44/11/1068534411.db2.gz SRJHGPHIWPUCEC-WSTZPKSXSA-N 1 1 463.623 3.346 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)CC1 ZINC001303896084 1068534808 /nfs/dbraw/zinc/53/48/08/1068534808.db2.gz WZNBMGCPVCNAHM-SFHVURJKSA-N 1 1 470.597 3.291 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(=O)NCC(F)F ZINC001303896679 1068536288 /nfs/dbraw/zinc/53/62/88/1068536288.db2.gz BECCBNOYQOYTNP-INIZCTEOSA-N 1 1 482.551 3.249 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC(C)(F)F ZINC001303897910 1068539353 /nfs/dbraw/zinc/53/93/53/1068539353.db2.gz MYODBODTSSLIJE-YLJYHZDGSA-N 1 1 494.562 3.345 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303898299 1068539937 /nfs/dbraw/zinc/53/99/37/1068539937.db2.gz NMGLQEIBWDWRED-GCJKJVERSA-N 1 1 493.649 3.445 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001305322530 1068541647 /nfs/dbraw/zinc/54/16/47/1068541647.db2.gz OWNCNUQYUIGMHV-BFFCPOFVSA-N 1 1 486.661 3.023 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001303902134 1068545540 /nfs/dbraw/zinc/54/55/40/1068545540.db2.gz LZNLGFILOLIKGX-NZQKXSOJSA-N 1 1 474.625 3.198 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001305326480 1068548806 /nfs/dbraw/zinc/54/88/06/1068548806.db2.gz YPJWODDRSGFGKG-AMGIVPHBSA-N 1 1 482.673 3.185 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001305326480 1068548819 /nfs/dbraw/zinc/54/88/19/1068548819.db2.gz YPJWODDRSGFGKG-AMGIVPHBSA-N 1 1 482.673 3.185 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001305326482 1068548942 /nfs/dbraw/zinc/54/89/42/1068548942.db2.gz YPJWODDRSGFGKG-CUNXSJBXSA-N 1 1 482.673 3.185 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001305326482 1068548953 /nfs/dbraw/zinc/54/89/53/1068548953.db2.gz YPJWODDRSGFGKG-CUNXSJBXSA-N 1 1 482.673 3.185 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001305326794 1068549370 /nfs/dbraw/zinc/54/93/70/1068549370.db2.gz ZKIPLALKVCNNIP-PLGVSFSBSA-N 1 1 457.619 3.432 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(Nc2ccn(C)n2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303905724 1068550960 /nfs/dbraw/zinc/55/09/60/1068550960.db2.gz VDYISISLHRYUJQ-GOSISDBHSA-N 1 1 470.597 3.308 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303907164 1068553703 /nfs/dbraw/zinc/55/37/03/1068553703.db2.gz RJIZOYJFRPCCTJ-BSRJHKFKSA-N 1 1 464.010 3.001 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303907575 1068554935 /nfs/dbraw/zinc/55/49/35/1068554935.db2.gz WNENZOZECMZLIQ-YCRPNKLZSA-N 1 1 463.007 3.231 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305330019 1068555411 /nfs/dbraw/zinc/55/54/11/1068555411.db2.gz UHYVGNJBDFCKSI-CPJSRVTESA-N 1 1 451.619 3.188 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001303908944 1068555834 /nfs/dbraw/zinc/55/58/34/1068555834.db2.gz HCGWZIYTRCNHAU-AOIWGVFYSA-N 1 1 482.050 3.179 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001303909608 1068556744 /nfs/dbraw/zinc/55/67/44/1068556744.db2.gz KDUHEYLZXBUFSL-KRWDZBQOSA-N 1 1 486.020 3.068 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCC(=O)N(C)C ZINC001303910013 1068557850 /nfs/dbraw/zinc/55/78/50/1068557850.db2.gz LLSPZZGLGPKLKL-LNLFQRSKSA-N 1 1 461.010 3.223 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2COCCO2)CC1 ZINC001303913527 1068562556 /nfs/dbraw/zinc/56/25/56/1068562556.db2.gz VBWFJSJGLNJDRG-RXVVDRJESA-N 1 1 464.010 3.407 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001305333536 1068563240 /nfs/dbraw/zinc/56/32/40/1068563240.db2.gz JFEMFXOTGKLYRD-OBTVHEKISA-N 1 1 484.689 3.179 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303915407 1068566588 /nfs/dbraw/zinc/56/65/88/1068566588.db2.gz PAXIOZPLOSTWDT-NRVIRDBHSA-N 1 1 466.051 3.468 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305335852 1068567316 /nfs/dbraw/zinc/56/73/16/1068567316.db2.gz MSNUXIDNNJJZNV-CYFREDJKSA-N 1 1 471.675 3.173 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303916190 1068567656 /nfs/dbraw/zinc/56/76/56/1068567656.db2.gz DJZOJOQSLSSWLF-ICSRJNTNSA-N 1 1 493.649 3.445 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001305337578 1068570376 /nfs/dbraw/zinc/57/03/76/1068570376.db2.gz WUTCYONCMMFKOG-XXAUWVGASA-N 1 1 482.673 3.298 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303923636 1068577432 /nfs/dbraw/zinc/57/74/32/1068577432.db2.gz HDFTXEXDVHZMBZ-ROUUACIJSA-N 1 1 479.622 3.055 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303924718 1068579533 /nfs/dbraw/zinc/57/95/33/1068579533.db2.gz WSKPPCJTTVGBEG-MOPGFXCFSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001305345675 1068584528 /nfs/dbraw/zinc/58/45/28/1068584528.db2.gz CUZSZCCCGJRINH-DWLFOUALSA-N 1 1 475.659 3.084 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001305345674 1068584569 /nfs/dbraw/zinc/58/45/69/1068584569.db2.gz CUZSZCCCGJRINH-CZTZKLFOSA-N 1 1 475.659 3.084 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305345710 1068584606 /nfs/dbraw/zinc/58/46/06/1068584606.db2.gz DFCUOIRBCKKJGH-MDKPJZGXSA-N 1 1 464.010 3.189 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305345710 1068584615 /nfs/dbraw/zinc/58/46/15/1068584615.db2.gz DFCUOIRBCKKJGH-MDKPJZGXSA-N 1 1 464.010 3.189 20 0 JGADMO CC[C@@H](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305347705 1068588640 /nfs/dbraw/zinc/58/86/40/1068588640.db2.gz BJLTUJMDHZXCCU-WZONZLPQSA-N 1 1 466.634 3.074 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)OC ZINC001305348301 1068590242 /nfs/dbraw/zinc/59/02/42/1068590242.db2.gz AFZPCUKDLUISGE-YDLSIGKMSA-N 1 1 484.645 3.182 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303938539 1068597395 /nfs/dbraw/zinc/59/73/95/1068597395.db2.gz TYDNZOGSWRGUKO-RTBURBONSA-N 1 1 479.622 3.057 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303938764 1068597463 /nfs/dbraw/zinc/59/74/63/1068597463.db2.gz VTMVALJMPXUHEJ-GGPKGHCWSA-N 1 1 462.589 3.377 20 0 JGADMO CC[C@@H](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)OC ZINC001305355003 1068602755 /nfs/dbraw/zinc/60/27/55/1068602755.db2.gz XUCIVUVVQMTNJZ-NFBKMPQASA-N 1 1 485.677 3.105 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001305358743 1068610128 /nfs/dbraw/zinc/61/01/28/1068610128.db2.gz HXYQSWQRCTZNET-SCDRESIJSA-N 1 1 471.646 3.384 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001305362644 1068617439 /nfs/dbraw/zinc/61/74/39/1068617439.db2.gz VMHZAIDXPWJVGB-OTWHNJEPSA-N 1 1 460.648 3.005 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCOC)CC1)OC ZINC001305363104 1068618065 /nfs/dbraw/zinc/61/80/65/1068618065.db2.gz RMCBQMWTBANILL-PCCBWWKXSA-N 1 1 494.681 3.180 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CCS(=O)(=O)N(C)C ZINC001305372515 1068627456 /nfs/dbraw/zinc/62/74/56/1068627456.db2.gz WXTOFYHLQWKHMA-VWPQPMDRSA-N 1 1 476.691 3.172 20 0 JGADMO CC[C@H](C)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305381108 1068632627 /nfs/dbraw/zinc/63/26/27/1068632627.db2.gz HNEWVXRWKYQLFO-IBGZPJMESA-N 1 1 468.646 3.431 20 0 JGADMO CC[C@H](C)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001305381108 1068632637 /nfs/dbraw/zinc/63/26/37/1068632637.db2.gz HNEWVXRWKYQLFO-IBGZPJMESA-N 1 1 468.646 3.431 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001305382800 1068633835 /nfs/dbraw/zinc/63/38/35/1068633835.db2.gz BKTBRPJRCWWGJE-XXBNENTESA-N 1 1 451.619 3.167 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC001305396857 1068639580 /nfs/dbraw/zinc/63/95/80/1068639580.db2.gz DHAPKEXNXDNZTD-MBDNFAEBSA-N 1 1 485.677 3.005 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC001305396857 1068639584 /nfs/dbraw/zinc/63/95/84/1068639584.db2.gz DHAPKEXNXDNZTD-MBDNFAEBSA-N 1 1 485.677 3.005 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305398454 1068640852 /nfs/dbraw/zinc/64/08/52/1068640852.db2.gz MBUOTZGYVTUUGQ-MRXNPFEDSA-N 1 1 484.571 3.260 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305398454 1068640857 /nfs/dbraw/zinc/64/08/57/1068640857.db2.gz MBUOTZGYVTUUGQ-MRXNPFEDSA-N 1 1 484.571 3.260 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001305400889 1068642807 /nfs/dbraw/zinc/64/28/07/1068642807.db2.gz DBKXILJKTDCYQV-NRTAZHGZSA-N 1 1 484.693 3.303 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305403997 1068644251 /nfs/dbraw/zinc/64/42/51/1068644251.db2.gz KQSCJQZPGDHRNS-WOJBJXKFSA-N 1 1 480.661 3.493 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305403995 1068644316 /nfs/dbraw/zinc/64/43/16/1068644316.db2.gz KQSCJQZPGDHRNS-VQTJNVASSA-N 1 1 480.661 3.493 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(OC)cc1OC ZINC001305411770 1068650495 /nfs/dbraw/zinc/65/04/95/1068650495.db2.gz MBHGXRGCXZIZQR-SKPFHBQLSA-N 1 1 498.672 3.236 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(OC)CCCCC1 ZINC001305412021 1068650669 /nfs/dbraw/zinc/65/06/69/1068650669.db2.gz MWIYHIFVWHGKLH-TUNNFDKTSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1Cl ZINC001305412689 1068651294 /nfs/dbraw/zinc/65/12/94/1068651294.db2.gz QVHCLLWRZFEIIK-NJNPRVFISA-N 1 1 459.038 3.482 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305414813 1068653270 /nfs/dbraw/zinc/65/32/70/1068653270.db2.gz SAAUDZFXBDNNNL-UWHLTILDSA-N 1 1 477.698 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CCC(=O)N1CCCCCC1 ZINC001305420075 1068656436 /nfs/dbraw/zinc/65/64/36/1068656436.db2.gz LXCDILUPWPWZML-BDTNDASRSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001305422406 1068657677 /nfs/dbraw/zinc/65/76/77/1068657677.db2.gz QSKHWEKAVPDZNY-IVAOSVALSA-N 1 1 478.682 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001305424784 1068660640 /nfs/dbraw/zinc/66/06/40/1068660640.db2.gz YKQMHGYLYVSRDE-IEIRFRATSA-N 1 1 468.646 3.089 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001305424789 1068660652 /nfs/dbraw/zinc/66/06/52/1068660652.db2.gz YKQMHGYLYVSRDE-XKCSPQBFSA-N 1 1 468.646 3.089 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001305425379 1068661261 /nfs/dbraw/zinc/66/12/61/1068661261.db2.gz IFPCGPKNKBCOLM-IPJJNNNSSA-N 1 1 455.603 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001305425379 1068661266 /nfs/dbraw/zinc/66/12/66/1068661266.db2.gz IFPCGPKNKBCOLM-IPJJNNNSSA-N 1 1 455.603 3.060 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305426116 1068662887 /nfs/dbraw/zinc/66/28/87/1068662887.db2.gz NXJXWQKZRVDFHV-FGZHOGPDSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001305430384 1068668550 /nfs/dbraw/zinc/66/85/50/1068668550.db2.gz BMYXYYVPYWZGRY-UXHICEINSA-N 1 1 459.660 3.470 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305433089 1068669852 /nfs/dbraw/zinc/66/98/52/1068669852.db2.gz ZVBJFAMPSQTPPN-IERDGZPVSA-N 1 1 482.555 3.014 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)Oc1ccccc1OC ZINC001305443042 1068678260 /nfs/dbraw/zinc/67/82/60/1068678260.db2.gz HVJQAFOGEUNIKS-PWRODBHTSA-N 1 1 457.619 3.426 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305447911 1068681675 /nfs/dbraw/zinc/68/16/75/1068681675.db2.gz CIPCDBDVEHCVEZ-NFBKMPQASA-N 1 1 484.693 3.436 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305454880 1068694066 /nfs/dbraw/zinc/69/40/66/1068694066.db2.gz ASXSVVIBQCJKIY-QUCCMNQESA-N 1 1 495.594 3.392 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(N3CCN(CC)C3=O)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305455501 1068694541 /nfs/dbraw/zinc/69/45/41/1068694541.db2.gz BZSIEQVWOWIMSW-NJYVYQBISA-N 1 1 489.709 3.406 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001305456679 1068697299 /nfs/dbraw/zinc/69/72/99/1068697299.db2.gz GTFIOFAYEQBOEJ-NRFANRHFSA-N 1 1 499.679 3.356 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305457275 1068698078 /nfs/dbraw/zinc/69/80/78/1068698078.db2.gz GMEQNJZEHHDZSG-FNZWTVRRSA-N 1 1 472.653 3.302 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001305457397 1068698562 /nfs/dbraw/zinc/69/85/62/1068698562.db2.gz HDGMIZVYGFIAFP-WOVHNISZSA-N 1 1 472.653 3.302 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001305457394 1068698578 /nfs/dbraw/zinc/69/85/78/1068698578.db2.gz HDGMIZVYGFIAFP-ISJBWFOZSA-N 1 1 472.653 3.302 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305457608 1068699344 /nfs/dbraw/zinc/69/93/44/1068699344.db2.gz JLWWTWRVTOFFDZ-TZIWHRDSSA-N 1 1 477.698 3.169 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305459919 1068702186 /nfs/dbraw/zinc/70/21/86/1068702186.db2.gz QHXBVLGJMVLGCR-ZCNNSNEGSA-N 1 1 464.655 3.132 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305459993 1068702750 /nfs/dbraw/zinc/70/27/50/1068702750.db2.gz REMPIWUJNTVFCM-XUVXKRRUSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001305462619 1068705961 /nfs/dbraw/zinc/70/59/61/1068705961.db2.gz DTPVSLKCRCVFHC-SPEDKVCISA-N 1 1 474.675 3.407 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305485194 1068721879 /nfs/dbraw/zinc/72/18/79/1068721879.db2.gz ISRGEUDTQGJPFP-TZIWHRDSSA-N 1 1 466.696 3.060 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(OC)c(F)c1 ZINC001305503643 1068738428 /nfs/dbraw/zinc/73/84/28/1068738428.db2.gz FFRBXXMRKJOQNO-LJQANCHMSA-N 1 1 474.625 3.368 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(OC)c(F)c1 ZINC001305503643 1068738436 /nfs/dbraw/zinc/73/84/36/1068738436.db2.gz FFRBXXMRKJOQNO-LJQANCHMSA-N 1 1 474.625 3.368 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001305505053 1068740806 /nfs/dbraw/zinc/74/08/06/1068740806.db2.gz WXKHDQBSRFRLCD-NRFANRHFSA-N 1 1 460.667 3.133 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001305506291 1068742685 /nfs/dbraw/zinc/74/26/85/1068742685.db2.gz SMFZUZFZGMDAQP-FUDKSRODSA-N 1 1 462.683 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001305506291 1068742697 /nfs/dbraw/zinc/74/26/97/1068742697.db2.gz SMFZUZFZGMDAQP-FUDKSRODSA-N 1 1 462.683 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001305506299 1068742861 /nfs/dbraw/zinc/74/28/61/1068742861.db2.gz SMFZUZFZGMDAQP-XJUOHMSHSA-N 1 1 462.683 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001305506299 1068742867 /nfs/dbraw/zinc/74/28/67/1068742867.db2.gz SMFZUZFZGMDAQP-XJUOHMSHSA-N 1 1 462.683 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc2c1OCCCO2 ZINC001305507198 1068744112 /nfs/dbraw/zinc/74/41/12/1068744112.db2.gz YKBZSEFZCANUGV-NRFANRHFSA-N 1 1 498.672 3.382 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc2c1OCCCO2 ZINC001305507198 1068744121 /nfs/dbraw/zinc/74/41/21/1068744121.db2.gz YKBZSEFZCANUGV-NRFANRHFSA-N 1 1 498.672 3.382 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305508624 1068747141 /nfs/dbraw/zinc/74/71/41/1068747141.db2.gz AOIPYHZAIXYYOA-NRFANRHFSA-N 1 1 499.679 3.167 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001305509480 1068748674 /nfs/dbraw/zinc/74/86/74/1068748674.db2.gz LXSSGLBGNRYOMI-WOJBJXKFSA-N 1 1 488.681 3.398 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001305510396 1068750110 /nfs/dbraw/zinc/75/01/10/1068750110.db2.gz PPCKRNDTJSIHCI-QFIPXVFZSA-N 1 1 499.679 3.311 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305511717 1068752806 /nfs/dbraw/zinc/75/28/06/1068752806.db2.gz BFLHWVQHCUYDEL-NJYVYQBISA-N 1 1 475.682 3.017 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1ccc(OC)cc1OC ZINC001305511795 1068753433 /nfs/dbraw/zinc/75/34/33/1068753433.db2.gz VIPKNWCPSHETPJ-NRFANRHFSA-N 1 1 498.672 3.186 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1ccc(OC)cc1OC ZINC001305511795 1068753436 /nfs/dbraw/zinc/75/34/36/1068753436.db2.gz VIPKNWCPSHETPJ-NRFANRHFSA-N 1 1 498.672 3.186 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)Oc1cccc(C)c1 ZINC001305513915 1068758859 /nfs/dbraw/zinc/75/88/59/1068758859.db2.gz MLQXRVBKYVZYRZ-QZNHQXDQSA-N 1 1 468.646 3.310 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305519694 1068770192 /nfs/dbraw/zinc/77/01/92/1068770192.db2.gz SCBYINWLDBNAQJ-WOJBJXKFSA-N 1 1 477.698 3.263 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305519694 1068770206 /nfs/dbraw/zinc/77/02/06/1068770206.db2.gz SCBYINWLDBNAQJ-WOJBJXKFSA-N 1 1 477.698 3.263 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305519694 1068770220 /nfs/dbraw/zinc/77/02/20/1068770220.db2.gz SCBYINWLDBNAQJ-WOJBJXKFSA-N 1 1 477.698 3.263 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001305520111 1068771289 /nfs/dbraw/zinc/77/12/89/1068771289.db2.gz GLEWSQWIOCZSHF-QZTJIDSGSA-N 1 1 460.648 3.018 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305520047 1068771304 /nfs/dbraw/zinc/77/13/04/1068771304.db2.gz BBHHXQOIZALVID-HXUWFJFHSA-N 1 1 487.668 3.292 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305520047 1068771309 /nfs/dbraw/zinc/77/13/09/1068771309.db2.gz BBHHXQOIZALVID-HXUWFJFHSA-N 1 1 487.668 3.292 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305520047 1068771315 /nfs/dbraw/zinc/77/13/15/1068771315.db2.gz BBHHXQOIZALVID-HXUWFJFHSA-N 1 1 487.668 3.292 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305520812 1068773577 /nfs/dbraw/zinc/77/35/77/1068773577.db2.gz GDHXBUHGMTXKPL-FQEVSTJZSA-N 1 1 485.652 3.058 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2nc3ccccc3cc2Cl)CC1 ZINC001305522919 1068775555 /nfs/dbraw/zinc/77/55/55/1068775555.db2.gz ASXSSTLMUDFXGI-JOCHJYFZSA-N 1 1 450.970 3.393 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](C)Cc2cccc(OC)c2)CC1 ZINC001305525063 1068778178 /nfs/dbraw/zinc/77/81/78/1068778178.db2.gz MBBWHKWUMCSYOS-PXDATVDWSA-N 1 1 451.611 3.156 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305525552 1068779193 /nfs/dbraw/zinc/77/91/93/1068779193.db2.gz IHNJXAMTGFHUBN-ICSRJNTNSA-N 1 1 462.042 3.013 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccccc3F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305527583 1068781309 /nfs/dbraw/zinc/78/13/09/1068781309.db2.gz QGAHSQKDJPNSFV-FQEVSTJZSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccccc3F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305527583 1068781317 /nfs/dbraw/zinc/78/13/17/1068781317.db2.gz QGAHSQKDJPNSFV-FQEVSTJZSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccccc3F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305527583 1068781320 /nfs/dbraw/zinc/78/13/20/1068781320.db2.gz QGAHSQKDJPNSFV-FQEVSTJZSA-N 1 1 457.642 3.283 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305528495 1068782506 /nfs/dbraw/zinc/78/25/06/1068782506.db2.gz MGPPPSBHXIREAB-FCHUYYIVSA-N 1 1 484.693 3.388 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305530725 1068785904 /nfs/dbraw/zinc/78/59/04/1068785904.db2.gz DBWLYNSSNKIOGI-FQEVSTJZSA-N 1 1 490.766 3.069 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCCN(C)CC(F)(F)F ZINC001305532407 1068789622 /nfs/dbraw/zinc/78/96/22/1068789622.db2.gz BFXRFAPHKTVSOV-QZTJIDSGSA-N 1 1 460.589 3.365 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305532728 1068790517 /nfs/dbraw/zinc/79/05/17/1068790517.db2.gz OMYPYATYELAFEF-PMACEKPBSA-N 1 1 477.723 3.032 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305534820 1068795159 /nfs/dbraw/zinc/79/51/59/1068795159.db2.gz IWBGNKONSFOASK-TZRRMPRUSA-N 1 1 487.737 3.437 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305535986 1068797142 /nfs/dbraw/zinc/79/71/42/1068797142.db2.gz FQIYIPSYPYWABG-AWRGLXIESA-N 1 1 482.673 3.100 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001305540683 1068810183 /nfs/dbraw/zinc/81/01/83/1068810183.db2.gz DLOIDEDTYLVJGO-ZCNNSNEGSA-N 1 1 464.655 3.348 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CCCn1cc[nH+]c1C ZINC001305541180 1068812094 /nfs/dbraw/zinc/81/20/94/1068812094.db2.gz WWTPNHQDEXPTQL-SFHVURJKSA-N 1 1 453.566 3.375 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001305542085 1068814326 /nfs/dbraw/zinc/81/43/26/1068814326.db2.gz MJQIDDQSGQDWPF-WIYYLYMNSA-N 1 1 454.619 3.348 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305542320 1068814381 /nfs/dbraw/zinc/81/43/81/1068814381.db2.gz MYDWAFOYSFTRPD-ROUUACIJSA-N 1 1 486.608 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cc(C)on3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305542656 1068815436 /nfs/dbraw/zinc/81/54/36/1068815436.db2.gz OZKXRKTVPANPLQ-NRSPTQNISA-N 1 1 473.666 3.298 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccc(C(OC)OC)c1 ZINC001305543255 1068817257 /nfs/dbraw/zinc/81/72/57/1068817257.db2.gz TYNISLJPFFUGMC-SIKLNZKXSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1OC ZINC001305544272 1068820139 /nfs/dbraw/zinc/82/01/39/1068820139.db2.gz GQOPVAILJFLSKK-XJUOHMSHSA-N 1 1 457.619 3.044 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1cccc(OC)c1 ZINC001305544576 1068820907 /nfs/dbraw/zinc/82/09/07/1068820907.db2.gz RAPCHACQMFPIHG-DHLKQENFSA-N 1 1 484.689 3.274 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC(C)(C)c1ccccn1 ZINC001305545340 1068822951 /nfs/dbraw/zinc/82/29/51/1068822951.db2.gz VRSQXIUURZEKPI-XZOQPEGZSA-N 1 1 483.705 3.396 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001305548890 1068828254 /nfs/dbraw/zinc/82/82/54/1068828254.db2.gz VTOXIDFYMYGGOB-ZJOUEHCJSA-N 1 1 466.696 3.059 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001305549108 1068828519 /nfs/dbraw/zinc/82/85/19/1068828519.db2.gz WJGLYFQZLJOPPN-SQGPQFPESA-N 1 1 460.026 3.304 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001305551856 1068831068 /nfs/dbraw/zinc/83/10/68/1068831068.db2.gz MNYKQJXNXUQOSI-WMZOPIPTSA-N 1 1 461.010 3.303 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001305551856 1068831085 /nfs/dbraw/zinc/83/10/85/1068831085.db2.gz MNYKQJXNXUQOSI-WMZOPIPTSA-N 1 1 461.010 3.303 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305554843 1068833206 /nfs/dbraw/zinc/83/32/06/1068833206.db2.gz MADKYWVKTQIFDZ-NFBKMPQASA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305554843 1068833227 /nfs/dbraw/zinc/83/32/27/1068833227.db2.gz MADKYWVKTQIFDZ-NFBKMPQASA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305554843 1068833247 /nfs/dbraw/zinc/83/32/47/1068833247.db2.gz MADKYWVKTQIFDZ-NFBKMPQASA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305556266 1068834069 /nfs/dbraw/zinc/83/40/69/1068834069.db2.gz MEGOPNHMZIOVSC-AJSBUHFISA-N 1 1 486.636 3.451 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305568399 1068843313 /nfs/dbraw/zinc/84/33/13/1068843313.db2.gz WAMBCCYPYJWEJZ-UFYCRDLUSA-N 1 1 475.638 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305570198 1068844166 /nfs/dbraw/zinc/84/41/66/1068844166.db2.gz FMCXRVJVTYXBMD-UFYCRDLUSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@@H](C)c1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001305572376 1068846063 /nfs/dbraw/zinc/84/60/63/1068846063.db2.gz SOVDYGPIOKJTGO-UAFMIMERSA-N 1 1 492.665 3.026 20 0 JGADMO CC[C@@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305573961 1068847216 /nfs/dbraw/zinc/84/72/16/1068847216.db2.gz UAGAHXXHBGORQO-YTZAWJCFSA-N 1 1 462.639 3.006 20 0 JGADMO CC[C@H](C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305574221 1068847793 /nfs/dbraw/zinc/84/77/93/1068847793.db2.gz QTTHDHRXFDSODH-SZMVWBNQSA-N 1 1 464.565 3.255 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305576794 1068849514 /nfs/dbraw/zinc/84/95/14/1068849514.db2.gz HRPCHFYSMFVVRU-VQTJNVASSA-N 1 1 477.675 3.332 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305578219 1068850534 /nfs/dbraw/zinc/85/05/34/1068850534.db2.gz QAPXQAPGAOSZJX-KRWDZBQOSA-N 1 1 464.561 3.193 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305584075 1068853549 /nfs/dbraw/zinc/85/35/49/1068853549.db2.gz YSTGDLOHKDQEFP-FQEVSTJZSA-N 1 1 470.662 3.472 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305587022 1068856252 /nfs/dbraw/zinc/85/62/52/1068856252.db2.gz VHUHTDMRILUWJP-ZWKOTPCHSA-N 1 1 453.591 3.045 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305587644 1068857469 /nfs/dbraw/zinc/85/74/69/1068857469.db2.gz ULZOPWXQZFBGMG-KSEOMHKRSA-N 1 1 459.660 3.327 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305587644 1068857480 /nfs/dbraw/zinc/85/74/80/1068857480.db2.gz ULZOPWXQZFBGMG-KSEOMHKRSA-N 1 1 459.660 3.327 20 0 JGADMO CC[C@H](C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305601992 1068864239 /nfs/dbraw/zinc/86/42/39/1068864239.db2.gz JAVZDAQZIMILHH-FQEVSTJZSA-N 1 1 453.635 3.500 20 0 JGADMO CC[C@H](C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC[N@H+]1CCOCC1(C)C ZINC001305601992 1068864247 /nfs/dbraw/zinc/86/42/47/1068864247.db2.gz JAVZDAQZIMILHH-FQEVSTJZSA-N 1 1 453.635 3.500 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001305603033 1068866196 /nfs/dbraw/zinc/86/61/96/1068866196.db2.gz ICRWILNKWFZKRY-QZTJIDSGSA-N 1 1 460.627 3.037 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001305603163 1068866840 /nfs/dbraw/zinc/86/68/40/1068866840.db2.gz IMVRIDZHQPKEIS-HRCADAONSA-N 1 1 484.617 3.021 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS(=O)(=O)CC1 ZINC001305604142 1068869387 /nfs/dbraw/zinc/86/93/87/1068869387.db2.gz CFHNCXZTRCKBCB-IAGOWNOFSA-N 1 1 465.689 3.097 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001305604577 1068870183 /nfs/dbraw/zinc/87/01/83/1068870183.db2.gz NZYLGCQTHCYZID-OALUTQOASA-N 1 1 491.631 3.308 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001305604889 1068870703 /nfs/dbraw/zinc/87/07/03/1068870703.db2.gz GSGWMGKRXABQDU-IBGZPJMESA-N 1 1 488.633 3.360 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001305605044 1068871206 /nfs/dbraw/zinc/87/12/06/1068871206.db2.gz DAZCVXJVDLHMPE-ZCNNSNEGSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001305604902 1068871234 /nfs/dbraw/zinc/87/12/34/1068871234.db2.gz CLBYREDOXLMFEC-FUHWJXTLSA-N 1 1 492.466 3.357 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001305605612 1068872027 /nfs/dbraw/zinc/87/20/27/1068872027.db2.gz IYFFOVFRTWNQPX-FQEVSTJZSA-N 1 1 476.691 3.234 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305605852 1068872241 /nfs/dbraw/zinc/87/22/41/1068872241.db2.gz GEKUSNWAIKZRPC-NYHFZMIOSA-N 1 1 493.450 3.148 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCOCC2)C1 ZINC001305606146 1068872712 /nfs/dbraw/zinc/87/27/12/1068872712.db2.gz LFQUURYVQQVGKR-IBGZPJMESA-N 1 1 473.618 3.078 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001305606045 1068872973 /nfs/dbraw/zinc/87/29/73/1068872973.db2.gz KNVZXFWIBMZSQC-CTNGQTDRSA-N 1 1 484.645 3.188 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001305606511 1068873833 /nfs/dbraw/zinc/87/38/33/1068873833.db2.gz MHNDUISKWNMKRU-SFHVURJKSA-N 1 1 454.619 3.179 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001305606398 1068873886 /nfs/dbraw/zinc/87/38/86/1068873886.db2.gz HZIIUIMTPNDJBP-QGZVFWFLSA-N 1 1 483.082 3.094 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCS(C)(=O)=O ZINC001305607067 1068875300 /nfs/dbraw/zinc/87/53/00/1068875300.db2.gz LIMYNVIKOFAQPG-CQSZACIVSA-N 1 1 462.447 3.463 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001305607357 1068875872 /nfs/dbraw/zinc/87/58/72/1068875872.db2.gz KQNLECOWJBHOSH-WIYYLYMNSA-N 1 1 474.675 3.162 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001305607958 1068877386 /nfs/dbraw/zinc/87/73/86/1068877386.db2.gz NNRWUDRMWLVMLJ-VQTJNVASSA-N 1 1 456.635 3.377 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001305608101 1068877989 /nfs/dbraw/zinc/87/79/89/1068877989.db2.gz OPTIHLRPCUJNIM-OPAMFIHVSA-N 1 1 475.435 3.154 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001305608258 1068878018 /nfs/dbraw/zinc/87/80/18/1068878018.db2.gz QBSQRLXANMVXGH-SUMDDJOVSA-N 1 1 491.434 3.373 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305608058 1068878264 /nfs/dbraw/zinc/87/82/64/1068878264.db2.gz RXBJKPHPYAVGMD-IRXDYDNUSA-N 1 1 482.551 3.477 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NC(C)=O)CC1 ZINC001305609401 1068881367 /nfs/dbraw/zinc/88/13/67/1068881367.db2.gz TXAHHZCJNPUAOR-GOSISDBHSA-N 1 1 464.618 3.170 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305609443 1068881384 /nfs/dbraw/zinc/88/13/84/1068881384.db2.gz DGUHXSCYPVWDCK-BJLQDIEVSA-N 1 1 457.623 3.420 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC001305609514 1068881960 /nfs/dbraw/zinc/88/19/60/1068881960.db2.gz VGEVGMOLARCWKT-FUDKSRODSA-N 1 1 499.704 3.394 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001305609666 1068882626 /nfs/dbraw/zinc/88/26/26/1068882626.db2.gz WYFKFCIINZUBQK-GOSISDBHSA-N 1 1 477.057 3.308 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCn2nc(C)nc2C1 ZINC001305609892 1068883455 /nfs/dbraw/zinc/88/34/55/1068883455.db2.gz XIZIWKIMRHPFME-SFHVURJKSA-N 1 1 482.633 3.391 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001305610397 1068884534 /nfs/dbraw/zinc/88/45/34/1068884534.db2.gz WCIXRWJTGRPWAA-CEWLAPEOSA-N 1 1 456.635 3.432 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001305610609 1068884614 /nfs/dbraw/zinc/88/46/14/1068884614.db2.gz WQABDHUWJKITRI-IRXDYDNUSA-N 1 1 494.482 3.459 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001305610933 1068885175 /nfs/dbraw/zinc/88/51/75/1068885175.db2.gz XEIOVVACRBAKBL-OFNKIYASSA-N 1 1 467.618 3.094 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001305610930 1068885517 /nfs/dbraw/zinc/88/55/17/1068885517.db2.gz XEDKWSVXEWNMKF-WDYCEAGBSA-N 1 1 491.434 3.373 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001305611357 1068886043 /nfs/dbraw/zinc/88/60/43/1068886043.db2.gz LRPZKKPIQKCSKG-JOCHJYFZSA-N 1 1 475.641 3.270 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001305611835 1068886642 /nfs/dbraw/zinc/88/66/42/1068886642.db2.gz NPSGHEATQVKFOF-HXUWFJFHSA-N 1 1 494.688 3.357 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001305613071 1068888234 /nfs/dbraw/zinc/88/82/34/1068888234.db2.gz GZQIBKIWCPCZMI-HXUWFJFHSA-N 1 1 453.635 3.218 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001305613090 1068888286 /nfs/dbraw/zinc/88/82/86/1068888286.db2.gz DLLSXTALUFYGCM-FFZOFVMBSA-N 1 1 461.010 3.191 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001305612619 1068888356 /nfs/dbraw/zinc/88/83/56/1068888356.db2.gz RNNIHLFNKFGVNC-SFHVURJKSA-N 1 1 454.648 3.158 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001305613326 1068888973 /nfs/dbraw/zinc/88/89/73/1068888973.db2.gz FRXMMGSMFNZRGI-LJQANCHMSA-N 1 1 454.619 3.334 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001305613324 1068889202 /nfs/dbraw/zinc/88/92/02/1068889202.db2.gz FRXMMGSMFNZRGI-IBGZPJMESA-N 1 1 454.619 3.334 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1ccoc1C ZINC001305613841 1068889834 /nfs/dbraw/zinc/88/98/34/1068889834.db2.gz KKOOEQIQMFJUJW-KRWDZBQOSA-N 1 1 463.586 3.460 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001305614538 1068891317 /nfs/dbraw/zinc/89/13/17/1068891317.db2.gz OWZMEHSRSRCHTG-RBUKOAKNSA-N 1 1 454.598 3.263 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC ZINC001305614433 1068891345 /nfs/dbraw/zinc/89/13/45/1068891345.db2.gz KTTUWEOYTHDTKP-RTBURBONSA-N 1 1 452.644 3.206 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305615165 1068892870 /nfs/dbraw/zinc/89/28/70/1068892870.db2.gz OYQRDIVEMOCXFB-JKSUJKDBSA-N 1 1 459.620 3.249 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001305615710 1068893424 /nfs/dbraw/zinc/89/34/24/1068893424.db2.gz WYBYLRNRRDEQBP-ZWKOTPCHSA-N 1 1 471.631 3.066 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001305615923 1068894180 /nfs/dbraw/zinc/89/41/80/1068894180.db2.gz RSRMPPUOKVSXLH-VQTJNVASSA-N 1 1 493.697 3.084 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CC(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC001305615763 1068894193 /nfs/dbraw/zinc/89/41/93/1068894193.db2.gz CFNAHOREERYXOG-NRFANRHFSA-N 1 1 470.662 3.300 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 ZINC001305616181 1068895005 /nfs/dbraw/zinc/89/50/05/1068895005.db2.gz SXTHIKIKCOOHMV-RTWAWAEBSA-N 1 1 488.652 3.372 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001305616139 1068895091 /nfs/dbraw/zinc/89/50/91/1068895091.db2.gz ZMMSOYGFMBXCMI-OKZBNKHCSA-N 1 1 460.648 3.415 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)c1nccs1 ZINC001305616124 1068895142 /nfs/dbraw/zinc/89/51/42/1068895142.db2.gz ZEZUKQPYBZHPPM-JKSUJKDBSA-N 1 1 459.620 3.433 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001305616441 1068895663 /nfs/dbraw/zinc/89/56/63/1068895663.db2.gz BFFNQWSUPNZZQC-WMZHIEFXSA-N 1 1 465.650 3.119 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001305617055 1068897234 /nfs/dbraw/zinc/89/72/34/1068897234.db2.gz GQCDXLXHFBZKRE-MSOLQXFVSA-N 1 1 461.680 3.057 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001305616912 1068897356 /nfs/dbraw/zinc/89/73/56/1068897356.db2.gz YDLHVTTZOOWDIR-LEWJYISDSA-N 1 1 486.636 3.394 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305617170 1068898338 /nfs/dbraw/zinc/89/83/38/1068898338.db2.gz YLPYELPFQJNHEA-FHWLQOOXSA-N 1 1 450.628 3.353 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001305617811 1068899755 /nfs/dbraw/zinc/89/97/55/1068899755.db2.gz APXKANMDSHSHLI-WIYYLYMNSA-N 1 1 469.590 3.165 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305617979 1068900234 /nfs/dbraw/zinc/90/02/34/1068900234.db2.gz BIEWIGPUSNCRNG-RBBKRZOGSA-N 1 1 473.687 3.492 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305617982 1068900333 /nfs/dbraw/zinc/90/03/33/1068900333.db2.gz BIEWIGPUSNCRNG-UNMCSNQZSA-N 1 1 473.687 3.492 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001305617846 1068900637 /nfs/dbraw/zinc/90/06/37/1068900637.db2.gz JOUHLKINSYMXJI-ISKFKSNPSA-N 1 1 481.689 3.490 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001305618747 1068901018 /nfs/dbraw/zinc/90/10/18/1068901018.db2.gz GJVUPXVEDALKDS-FCHUYYIVSA-N 1 1 471.646 3.404 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1C ZINC001305618398 1068901072 /nfs/dbraw/zinc/90/10/72/1068901072.db2.gz DDKQRGYQCUOYGQ-HFSMHLIXSA-N 1 1 488.681 3.457 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001305618423 1068901137 /nfs/dbraw/zinc/90/11/37/1068901137.db2.gz FRELMMQVSGAXDC-TZIWHRDSSA-N 1 1 472.659 3.025 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001305618405 1068901286 /nfs/dbraw/zinc/90/12/86/1068901286.db2.gz DEFIOZLLRXPWSN-IBGZPJMESA-N 1 1 472.609 3.318 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001305618752 1068901314 /nfs/dbraw/zinc/90/13/14/1068901314.db2.gz GJVUPXVEDALKDS-FGZHOGPDSA-N 1 1 471.646 3.404 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001305619652 1068903414 /nfs/dbraw/zinc/90/34/14/1068903414.db2.gz GYKNTDJSYLKQEX-JPYJTQIMSA-N 1 1 464.010 3.237 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(F)F)CC1 ZINC001305619881 1068903593 /nfs/dbraw/zinc/90/35/93/1068903593.db2.gz JZHCFRLJOPKCBE-IBGZPJMESA-N 1 1 459.589 3.399 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001305619552 1068903640 /nfs/dbraw/zinc/90/36/40/1068903640.db2.gz JWTRAQYZRTUFMJ-UYAOXDASSA-N 1 1 474.675 3.253 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001305619897 1068904095 /nfs/dbraw/zinc/90/40/95/1068904095.db2.gz KAPVYDONNAEXPU-HXUWFJFHSA-N 1 1 466.609 3.049 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001305619955 1068904188 /nfs/dbraw/zinc/90/41/88/1068904188.db2.gz UJKWJUBFQOQSNC-SIKLNZKXSA-N 1 1 486.636 3.184 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001305620489 1068905012 /nfs/dbraw/zinc/90/50/12/1068905012.db2.gz LKVHDWKIRWIQPE-BPYKYCOYSA-N 1 1 457.619 3.280 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 ZINC001305620342 1068905783 /nfs/dbraw/zinc/90/57/83/1068905783.db2.gz JGXXUWPVEFRPLZ-QUCCMNQESA-N 1 1 491.681 3.172 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305621102 1068907587 /nfs/dbraw/zinc/90/75/87/1068907587.db2.gz LPNMHUHZWZNXSH-OALUTQOASA-N 1 1 481.638 3.130 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001305621309 1068907688 /nfs/dbraw/zinc/90/76/88/1068907688.db2.gz YRGNTYGXOCARQF-KRWDZBQOSA-N 1 1 462.589 3.325 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001305621505 1068908035 /nfs/dbraw/zinc/90/80/35/1068908035.db2.gz ZNPVPDBBHQVZOO-PMACEKPBSA-N 1 1 476.616 3.178 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001305621506 1068908276 /nfs/dbraw/zinc/90/82/76/1068908276.db2.gz ZNPVPDBBHQVZOO-UXHICEINSA-N 1 1 476.616 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001305621507 1068908324 /nfs/dbraw/zinc/90/83/24/1068908324.db2.gz ZNPVPDBBHQVZOO-VQTJNVASSA-N 1 1 476.616 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001305621820 1068908897 /nfs/dbraw/zinc/90/88/97/1068908897.db2.gz PRBBPSLZHNOJQA-FQEVSTJZSA-N 1 1 458.607 3.093 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001305622117 1068909805 /nfs/dbraw/zinc/90/98/05/1068909805.db2.gz YQIZAYQTYCZZJE-AZUAARDMSA-N 1 1 468.606 3.079 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC001305622239 1068910258 /nfs/dbraw/zinc/91/02/58/1068910258.db2.gz ZBKMNMANPXFZGD-UTKZUKDTSA-N 1 1 472.663 3.158 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1COc2ccccc2O1 ZINC001305622233 1068910463 /nfs/dbraw/zinc/91/04/63/1068910463.db2.gz QTULMNHQVRFERU-FPOVZHCZSA-N 1 1 467.618 3.146 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001305622709 1068911035 /nfs/dbraw/zinc/91/10/35/1068911035.db2.gz PLWJKFXKXHVCQR-NDRCBABFSA-N 1 1 457.619 3.193 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001305622992 1068912429 /nfs/dbraw/zinc/91/24/29/1068912429.db2.gz VNPLURGGVIWJAP-VWPQPMDRSA-N 1 1 454.619 3.097 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001305623176 1068913170 /nfs/dbraw/zinc/91/31/70/1068913170.db2.gz SHPWUJSSMRRPDT-OAQYLSRUSA-N 1 1 468.646 3.487 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@H](c3nc(C)no3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305623189 1068913250 /nfs/dbraw/zinc/91/32/50/1068913250.db2.gz SMVDVNPCSGESHD-VAXXYWNWSA-N 1 1 475.638 3.124 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305624166 1068916617 /nfs/dbraw/zinc/91/66/17/1068916617.db2.gz ZXFJQDMUMJBCGN-FPOVZHCZSA-N 1 1 459.660 3.102 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001305626632 1068924214 /nfs/dbraw/zinc/92/42/14/1068924214.db2.gz BXIRCWRFGODOHD-OTWHNJEPSA-N 1 1 472.634 3.186 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305627584 1068926618 /nfs/dbraw/zinc/92/66/18/1068926618.db2.gz IJDMCVVOWCGDGX-SFHVURJKSA-N 1 1 477.053 3.450 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305627584 1068926624 /nfs/dbraw/zinc/92/66/24/1068926624.db2.gz IJDMCVVOWCGDGX-SFHVURJKSA-N 1 1 477.053 3.450 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001305628762 1068929776 /nfs/dbraw/zinc/92/97/76/1068929776.db2.gz PLMGYLLHWSOTJJ-MOPGFXCFSA-N 1 1 468.602 3.153 20 0 JGADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305644444 1068969174 /nfs/dbraw/zinc/96/91/74/1068969174.db2.gz HQDQJIHFDSBJMG-GGAORHGYSA-N 1 1 481.689 3.022 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001305644839 1068969807 /nfs/dbraw/zinc/96/98/07/1068969807.db2.gz PMPFTXHZIZKZEP-BAGYTPMASA-N 1 1 454.619 3.145 20 0 JGADMO CC[C@@H](c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC001305651001 1068987967 /nfs/dbraw/zinc/98/79/67/1068987967.db2.gz RAORROPMWGOLOA-CEWLAPEOSA-N 1 1 470.643 3.463 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001305652715 1068991328 /nfs/dbraw/zinc/99/13/28/1068991328.db2.gz DZRSDRCNMQAVAI-UKILVPOCSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652715 1068991337 /nfs/dbraw/zinc/99/13/37/1068991337.db2.gz DZRSDRCNMQAVAI-UKILVPOCSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652715 1068991350 /nfs/dbraw/zinc/99/13/50/1068991350.db2.gz DZRSDRCNMQAVAI-UKILVPOCSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001305658404 1068997610 /nfs/dbraw/zinc/99/76/10/1068997610.db2.gz YVFREPQWJNPTNN-FCHUYYIVSA-N 1 1 459.660 3.319 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(C)(C)COC)c1ccccc1 ZINC001305658554 1068998124 /nfs/dbraw/zinc/99/81/24/1068998124.db2.gz FAPRYHIDDULWGB-SDUSCBPUSA-N 1 1 496.700 3.481 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(C)(C)COC)c1ccccc1 ZINC001305658547 1068998423 /nfs/dbraw/zinc/99/84/23/1068998423.db2.gz FAPRYHIDDULWGB-NQHRYMMQSA-N 1 1 496.700 3.481 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305659495 1068999698 /nfs/dbraw/zinc/99/96/98/1068999698.db2.gz IXAGUCHFDHFGMF-ZQRMPTRQSA-N 1 1 482.673 3.376 20 0 JGADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001305659688 1069000288 /nfs/dbraw/zinc/00/02/88/1069000288.db2.gz SPSCNQLWYKRMTH-XMMPIXPASA-N 1 1 492.668 3.422 20 0 JGADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001305659688 1069000303 /nfs/dbraw/zinc/00/03/03/1069000303.db2.gz SPSCNQLWYKRMTH-XMMPIXPASA-N 1 1 492.668 3.422 20 0 JGADMO CC[C@@H](c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001305664744 1069007070 /nfs/dbraw/zinc/00/70/70/1069007070.db2.gz DYZVDUXBDACTFV-NZQKXSOJSA-N 1 1 488.702 3.070 20 0 JGADMO CC[C@@H](c1nnc(N2CCC(S(=O)(=O)CC)CC2)n1CCn1cc[nH+]c1C)c1ccccc1 ZINC001305665260 1069008210 /nfs/dbraw/zinc/00/82/10/1069008210.db2.gz HEZRGDBUIXGJRX-JOCHJYFZSA-N 1 1 470.643 3.429 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001305667247 1069010199 /nfs/dbraw/zinc/01/01/99/1069010199.db2.gz WTMKYYXEHOYLNC-BVAGGSTKSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCOCC(F)F)c1ccccc1 ZINC001305667500 1069010818 /nfs/dbraw/zinc/01/08/18/1069010818.db2.gz YLHLMYTUHMLBFO-YKSBVNFPSA-N 1 1 463.573 3.403 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H](F)COC)c1ccccc1 ZINC001305668206 1069011439 /nfs/dbraw/zinc/01/14/39/1069011439.db2.gz UOHSOLQEQBVNPW-XPWALMASSA-N 1 1 458.626 3.021 20 0 JGADMO CC[C@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305669252 1069014048 /nfs/dbraw/zinc/01/40/48/1069014048.db2.gz DBZZYLGGRZESEZ-UPVQGACJSA-N 1 1 482.673 3.283 20 0 JGADMO CC[C@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305669252 1069014061 /nfs/dbraw/zinc/01/40/61/1069014061.db2.gz DBZZYLGGRZESEZ-UPVQGACJSA-N 1 1 482.673 3.283 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001305669379 1069014541 /nfs/dbraw/zinc/01/45/41/1069014541.db2.gz DKFNSDFFCAKENB-UFHPHHKVSA-N 1 1 496.700 3.362 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001305669379 1069014556 /nfs/dbraw/zinc/01/45/56/1069014556.db2.gz DKFNSDFFCAKENB-UFHPHHKVSA-N 1 1 496.700 3.362 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](F)COC)c1ccccc1 ZINC001305672355 1069020286 /nfs/dbraw/zinc/02/02/86/1069020286.db2.gz USTCKRFAEJMZQH-PKTZIBPZSA-N 1 1 469.609 3.250 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001305673136 1069022832 /nfs/dbraw/zinc/02/28/32/1069022832.db2.gz QEYAOTNLZNRKMS-XZOQPEGZSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001305673131 1069022951 /nfs/dbraw/zinc/02/29/51/1069022951.db2.gz QEYAOTNLZNRKMS-DHIUTWEWSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001305673230 1069023434 /nfs/dbraw/zinc/02/34/34/1069023434.db2.gz YGAAQZXXWQZQGE-RBBKRZOGSA-N 1 1 459.660 3.175 20 0 JGADMO CC[C@H](c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001305674801 1069026408 /nfs/dbraw/zinc/02/64/08/1069026408.db2.gz KKQUKBAFJZFQCA-QFIPXVFZSA-N 1 1 459.660 3.319 20 0 JGADMO CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001305676245 1069029121 /nfs/dbraw/zinc/02/91/21/1069029121.db2.gz GFLAIIGZNINFSO-QHCPKHFHSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001305676245 1069029133 /nfs/dbraw/zinc/02/91/33/1069029133.db2.gz GFLAIIGZNINFSO-QHCPKHFHSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001305676611 1069031270 /nfs/dbraw/zinc/03/12/70/1069031270.db2.gz HKMLLUHKNCNASY-SJLPKXTDSA-N 1 1 452.525 3.029 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677068 1069031989 /nfs/dbraw/zinc/03/19/89/1069031989.db2.gz WEAZZNOMIVDKGZ-LOSJGSFVSA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677068 1069032008 /nfs/dbraw/zinc/03/20/08/1069032008.db2.gz WEAZZNOMIVDKGZ-LOSJGSFVSA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@H](c1nnc(Nc2ccn(C)n2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681855 1069040257 /nfs/dbraw/zinc/04/02/57/1069040257.db2.gz DRGWDSCZUNUARZ-LEWJYISDSA-N 1 1 464.618 3.240 20 0 JGADMO CC[C@@H](c1nnc(Nc2ccn(C)n2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681856 1069040400 /nfs/dbraw/zinc/04/04/00/1069040400.db2.gz DRGWDSCZUNUARZ-NHCUHLMSSA-N 1 1 464.618 3.240 20 0 JGADMO CC[C@@H](c1nnc(N2CCO[C@@H](COC)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001305683545 1069043185 /nfs/dbraw/zinc/04/31/85/1069043185.db2.gz QAIHYXDGQBKQPD-QPTUXGOLSA-N 1 1 471.646 3.173 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)OC ZINC001305686906 1069048506 /nfs/dbraw/zinc/04/85/06/1069048506.db2.gz LHOXMBSPJDEZOX-UGKGYDQZSA-N 1 1 487.645 3.324 20 0 JGADMO CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001305688291 1069051088 /nfs/dbraw/zinc/05/10/88/1069051088.db2.gz SIIDTVLARBCDDV-FQEVSTJZSA-N 1 1 457.619 3.317 20 0 JGADMO CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)SC ZINC001305697336 1069073501 /nfs/dbraw/zinc/07/35/01/1069073501.db2.gz YWHUNUDNIBYTFU-HXUWFJFHSA-N 1 1 459.660 3.320 20 0 JGADMO CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1)SC ZINC001305697336 1069073503 /nfs/dbraw/zinc/07/35/03/1069073503.db2.gz YWHUNUDNIBYTFU-HXUWFJFHSA-N 1 1 459.660 3.320 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001305703531 1069087006 /nfs/dbraw/zinc/08/70/06/1069087006.db2.gz BBACDNVHKTZUNW-FPOVZHCZSA-N 1 1 499.660 3.066 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1scnc1C)[NH+]1CCOCC1 ZINC001305705520 1069093294 /nfs/dbraw/zinc/09/32/94/1069093294.db2.gz KIBBKDBDCNJPQO-FQEVSTJZSA-N 1 1 489.690 3.052 20 0 JGADMO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001305707143 1069097403 /nfs/dbraw/zinc/09/74/03/1069097403.db2.gz PVGSFPRPJJBPMS-NZQKXSOJSA-N 1 1 457.667 3.188 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001305708663 1069102042 /nfs/dbraw/zinc/10/20/42/1069102042.db2.gz XTGQPAOAKQLJTR-FQEVSTJZSA-N 1 1 470.666 3.212 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305720777 1069129657 /nfs/dbraw/zinc/12/96/57/1069129657.db2.gz RWSYHCPEVOHQNZ-PZJWPPBQSA-N 1 1 461.699 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305723068 1069135709 /nfs/dbraw/zinc/13/57/09/1069135709.db2.gz JICOONDVSIJRRR-UHFFFAOYSA-N 1 1 472.682 3.305 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCC1 ZINC001305723696 1069137392 /nfs/dbraw/zinc/13/73/92/1069137392.db2.gz PHQNRBSXUJOPCZ-QFIPXVFZSA-N 1 1 468.646 3.212 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001305724239 1069138709 /nfs/dbraw/zinc/13/87/09/1069138709.db2.gz SMTADLFAQRVFHK-SJORKVTESA-N 1 1 470.647 3.352 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305730655 1069151176 /nfs/dbraw/zinc/15/11/76/1069151176.db2.gz JMQZYJSNGLHZBY-KRWDZBQOSA-N 1 1 455.632 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCC(C)C ZINC001305735465 1069156530 /nfs/dbraw/zinc/15/65/30/1069156530.db2.gz HQMUZIDKYZRRKN-OFNKIYASSA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001305736654 1069158317 /nfs/dbraw/zinc/15/83/17/1069158317.db2.gz UFFBXZZBFMDWDX-MSYCTHLASA-N 1 1 486.636 3.296 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738889 1069165099 /nfs/dbraw/zinc/16/50/99/1069165099.db2.gz MZTXHEPBARCRHH-MSOLQXFVSA-N 1 1 496.660 3.059 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccccc1F ZINC001305739057 1069165721 /nfs/dbraw/zinc/16/57/21/1069165721.db2.gz FPRFGTLHANEOJY-AUSIDOKSSA-N 1 1 486.636 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccccc1F ZINC001305739060 1069165867 /nfs/dbraw/zinc/16/58/67/1069165867.db2.gz FPRFGTLHANEOJY-WMZHIEFXSA-N 1 1 486.636 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305743147 1069179465 /nfs/dbraw/zinc/17/94/65/1069179465.db2.gz QVYYZDJZHMVVJR-HKBOAZHASA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743734 1069180629 /nfs/dbraw/zinc/18/06/29/1069180629.db2.gz YEHUYIOBFLYMDM-RBUKOAKNSA-N 1 1 498.676 3.257 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305752805 1069200379 /nfs/dbraw/zinc/20/03/79/1069200379.db2.gz KNNSKALMPXDXKX-NRFANRHFSA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@]1(C)CCCO1 ZINC001305755171 1069206265 /nfs/dbraw/zinc/20/62/65/1069206265.db2.gz KPQLSQNSCGRBIW-BVFVYWQFSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305755183 1069206832 /nfs/dbraw/zinc/20/68/32/1069206832.db2.gz YFQHWVXXNXECRE-QGZVFWFLSA-N 1 1 488.599 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305759460 1069221449 /nfs/dbraw/zinc/22/14/49/1069221449.db2.gz RMPIDLQEKKFLNX-OAQYLSRUSA-N 1 1 482.673 3.416 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305761515 1069228241 /nfs/dbraw/zinc/22/82/41/1069228241.db2.gz LEQDUBBMIBGQHY-DEOSSOPVSA-N 1 1 498.672 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305761655 1069228912 /nfs/dbraw/zinc/22/89/12/1069228912.db2.gz CFUQOYBARPPAMM-TUNNFDKTSA-N 1 1 460.667 3.060 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305762418 1069230649 /nfs/dbraw/zinc/23/06/49/1069230649.db2.gz YIPBQPXLGGFYMQ-HHJKRLRDSA-N 1 1 492.734 3.418 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305762418 1069230661 /nfs/dbraw/zinc/23/06/61/1069230661.db2.gz YIPBQPXLGGFYMQ-HHJKRLRDSA-N 1 1 492.734 3.418 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305765670 1069236722 /nfs/dbraw/zinc/23/67/22/1069236722.db2.gz WPUSLVIKGCGAJQ-GMAHTHKFSA-N 1 1 496.656 3.251 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305767856 1069239916 /nfs/dbraw/zinc/23/99/16/1069239916.db2.gz JAYUSTFCXLIOLF-AZUAARDMSA-N 1 1 486.665 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001305772724 1069251604 /nfs/dbraw/zinc/25/16/04/1069251604.db2.gz JZCOMDFXLVIAKU-SFTDATJTSA-N 1 1 491.725 3.006 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001305772724 1069251611 /nfs/dbraw/zinc/25/16/11/1069251611.db2.gz JZCOMDFXLVIAKU-SFTDATJTSA-N 1 1 491.725 3.006 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001305773664 1069253221 /nfs/dbraw/zinc/25/32/21/1069253221.db2.gz PAHXALQNKLXTRY-VWLOTQADSA-N 1 1 462.683 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1CC[NH+]1CCSCC1 ZINC001305774375 1069254707 /nfs/dbraw/zinc/25/47/07/1069254707.db2.gz VTPFFUAYZFNGFS-QFIPXVFZSA-N 1 1 486.686 3.293 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305775056 1069257243 /nfs/dbraw/zinc/25/72/43/1069257243.db2.gz IVACRQFVURIYMF-XMMPIXPASA-N 1 1 495.716 3.434 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305776308 1069259915 /nfs/dbraw/zinc/25/99/15/1069259915.db2.gz SVDAEOMZGRPHOX-RXVVDRJESA-N 1 1 456.639 3.003 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305776482 1069260392 /nfs/dbraw/zinc/26/03/92/1069260392.db2.gz ULTFBVPFZVAXMK-WOIUINJBSA-N 1 1 470.666 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC[NH+]1CCSCC1 ZINC001305777031 1069262206 /nfs/dbraw/zinc/26/22/06/1069262206.db2.gz CASJMMLAQJIWHX-QFIPXVFZSA-N 1 1 486.686 3.213 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(C(C)C)CC1 ZINC001305777978 1069264600 /nfs/dbraw/zinc/26/46/00/1069264600.db2.gz XXIKNEGAVCPEBU-FQEVSTJZSA-N 1 1 460.667 3.181 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305779937 1069269497 /nfs/dbraw/zinc/26/94/97/1069269497.db2.gz IUBLITIYRDOKDN-VQTJNVASSA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305780355 1069270584 /nfs/dbraw/zinc/27/05/84/1069270584.db2.gz CBDOMCFWTLVWSP-VQTJNVASSA-N 1 1 487.718 3.483 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccs3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305784709 1069282064 /nfs/dbraw/zinc/28/20/64/1069282064.db2.gz SOMWUVAUBRQMBR-QGZVFWFLSA-N 1 1 459.664 3.067 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC1(COC)CCC1 ZINC001305785016 1069283298 /nfs/dbraw/zinc/28/32/98/1069283298.db2.gz DZIOKGSZEDGNOT-IBGZPJMESA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1cc(OC)nc2ccccc12 ZINC001305785523 1069286343 /nfs/dbraw/zinc/28/63/43/1069286343.db2.gz GTLYXSQKNFNWMM-SFHVURJKSA-N 1 1 479.629 3.332 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001305785668 1069286910 /nfs/dbraw/zinc/28/69/10/1069286910.db2.gz OHUFRCAIKPTNEN-IBGZPJMESA-N 1 1 482.677 3.016 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@H]1CC=CCC1 ZINC001305786188 1069289482 /nfs/dbraw/zinc/28/94/82/1069289482.db2.gz SQFNXROBBVCUKJ-XUZZJYLKSA-N 1 1 480.657 3.408 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1c(C)oc2ccccc21 ZINC001305786197 1069289698 /nfs/dbraw/zinc/28/96/98/1069289698.db2.gz CGFQCIMKSJYXMN-GOSISDBHSA-N 1 1 482.629 3.456 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCc1c[nH]nc1C ZINC001305786683 1069291469 /nfs/dbraw/zinc/29/14/69/1069291469.db2.gz YEHHBIIWDGMUIV-GOSISDBHSA-N 1 1 470.666 3.171 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305787450 1069293578 /nfs/dbraw/zinc/29/35/78/1069293578.db2.gz ACHBVZDEWJJIKI-GOSISDBHSA-N 1 1 479.551 3.333 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305787453 1069293933 /nfs/dbraw/zinc/29/39/33/1069293933.db2.gz AFXCTEKMLMCAJT-DHIUTWEWSA-N 1 1 485.652 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305787453 1069293940 /nfs/dbraw/zinc/29/39/40/1069293940.db2.gz AFXCTEKMLMCAJT-DHIUTWEWSA-N 1 1 485.652 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCc1cccc(F)c1F ZINC001305788093 1069295837 /nfs/dbraw/zinc/29/58/37/1069295837.db2.gz HKODIEPLNKXTBR-LJQANCHMSA-N 1 1 460.573 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H]1CCSC1(C)C ZINC001305788963 1069298673 /nfs/dbraw/zinc/29/86/73/1069298673.db2.gz YMEZJMXPUDYPRC-UYAOXDASSA-N 1 1 478.707 3.029 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCCNC(=O)OC(C)(C)C ZINC001305790314 1069301340 /nfs/dbraw/zinc/30/13/40/1069301340.db2.gz VFNIXWZLZVDXJN-FQEVSTJZSA-N 1 1 491.681 3.176 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](C)c1ncc(C)s1 ZINC001305791095 1069303553 /nfs/dbraw/zinc/30/35/53/1069303553.db2.gz ZEZYXFXFFQJMBZ-VQIMIIECSA-N 1 1 459.664 3.440 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305792351 1069306098 /nfs/dbraw/zinc/30/60/98/1069306098.db2.gz AXNQCZGMUKKPJQ-RTWAWAEBSA-N 1 1 472.634 3.488 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1CN1CC[C@@H](CO)C1 ZINC001164417987 718892741 /nfs/dbraw/zinc/89/27/41/718892741.db2.gz MJVHEYIMVOPXBD-XXBNENTESA-N 1 1 457.663 3.239 20 0 JGADMO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3ccccc3S(=O)(=O)Nc3nc4ccccc4nc3Cl)C[C@H]21 ZINC001164440677 718986314 /nfs/dbraw/zinc/98/63/14/718986314.db2.gz QGSNWRMGXVBNSS-PBKGOJFUSA-N 1 1 465.913 3.022 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164618944 719084689 /nfs/dbraw/zinc/08/46/89/719084689.db2.gz BQOJVNCBIXWYRL-ZWKOTPCHSA-N 1 1 454.962 3.144 20 0 JGADMO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)nn1 ZINC001164639715 719265291 /nfs/dbraw/zinc/26/52/91/719265291.db2.gz QUFMSVBATSYTPG-CYFREDJKSA-N 1 1 473.021 3.153 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)C2)cc1 ZINC001164649447 719292905 /nfs/dbraw/zinc/29/29/05/719292905.db2.gz WRXLAFSTOCYNKB-NXCFDTQHSA-N 1 1 457.578 3.383 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)C2)cc1 ZINC001164649447 719292911 /nfs/dbraw/zinc/29/29/11/719292911.db2.gz WRXLAFSTOCYNKB-NXCFDTQHSA-N 1 1 457.578 3.383 20 0 JGADMO Cc1oncc1C(=O)N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@@H]21 ZINC001164655844 719319777 /nfs/dbraw/zinc/31/97/77/719319777.db2.gz ZOKXXDAVWGEIKA-BSIFCXSSSA-N 1 1 459.978 3.041 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3onc(COCC(=O)N(C)C)c3C2)n1 ZINC001164660481 719341554 /nfs/dbraw/zinc/34/15/54/719341554.db2.gz HVMWXGQNDJYFTL-UHFFFAOYSA-N 1 1 486.642 3.305 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cccnc4Cl)C3)C2)cc[nH+]1 ZINC001164663936 719356523 /nfs/dbraw/zinc/35/65/23/719356523.db2.gz JIYYFWUTBKUJIL-FQEVSTJZSA-N 1 1 452.937 3.259 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164665020 719356869 /nfs/dbraw/zinc/35/68/69/719356869.db2.gz UKPNXLVNHDGFTC-IBGZPJMESA-N 1 1 488.370 3.308 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(Cl)ncc4F)C3)C2)cc[nH+]1 ZINC001164664647 719357181 /nfs/dbraw/zinc/35/71/81/719357181.db2.gz QFVONSPZBBBCDK-FQEVSTJZSA-N 1 1 470.927 3.398 20 0 JGADMO Cn1ncc2c1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C[C@@H]2COc1cccnc1 ZINC001164688003 719596155 /nfs/dbraw/zinc/59/61/55/719596155.db2.gz SKNVEXCOZDVONX-OAQYLSRUSA-N 1 1 467.577 3.346 20 0 JGADMO Cn1ncc2c1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C[C@@H]2COc1cccnc1 ZINC001164688003 719596163 /nfs/dbraw/zinc/59/61/63/719596163.db2.gz SKNVEXCOZDVONX-OAQYLSRUSA-N 1 1 467.577 3.346 20 0 JGADMO Cc1cc(N2CCCC2)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680781 719655165 /nfs/dbraw/zinc/65/51/65/719655165.db2.gz ITTKXSDILBKCHJ-JOCHJYFZSA-N 1 1 476.669 3.479 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)nc1 ZINC001164684379 719692097 /nfs/dbraw/zinc/69/20/97/719692097.db2.gz IGKJJEKYMJNTCQ-KNQAVFIVSA-N 1 1 452.603 3.153 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@H]3C)nc1 ZINC001164684390 719692130 /nfs/dbraw/zinc/69/21/30/719692130.db2.gz IGKJJEKYMJNTCQ-UGKGYDQZSA-N 1 1 452.603 3.153 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)CC2 ZINC001164687337 719733785 /nfs/dbraw/zinc/73/37/85/719733785.db2.gz WEKYYCLXVZHDKK-UHFFFAOYSA-N 1 1 450.583 3.365 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)nc1 ZINC001164691433 719800662 /nfs/dbraw/zinc/80/06/62/719800662.db2.gz GRTYETDHDMBRFV-VQTJNVASSA-N 1 1 491.665 3.440 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5[C@H](C4)OCCN5c4ncccn4)c32)C1 ZINC001164690871 719800850 /nfs/dbraw/zinc/80/08/50/719800850.db2.gz BJIONKOGSYFEHY-RLLQIKCJSA-N 1 1 491.665 3.296 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)nc1 ZINC001164691715 719801017 /nfs/dbraw/zinc/80/10/17/719801017.db2.gz JDMSONDWPNODIN-OALUTQOASA-N 1 1 477.638 3.050 20 0 JGADMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2O1 ZINC001164698637 719819417 /nfs/dbraw/zinc/81/94/17/719819417.db2.gz FMXRURGXMDXYER-YUXAGFNASA-N 1 1 470.017 3.069 20 0 JGADMO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164695755 719834962 /nfs/dbraw/zinc/83/49/62/719834962.db2.gz OGARYYZUYZICPP-DEOSSOPVSA-N 1 1 481.604 3.484 20 0 JGADMO O=C1COC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)CN1c1ccccc1 ZINC001164693994 719836541 /nfs/dbraw/zinc/83/65/41/719836541.db2.gz CRZPJOSGZWIJMQ-UHFFFAOYSA-N 1 1 469.589 3.437 20 0 JGADMO O=C1COC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)CN1c1ccccc1 ZINC001164693994 719836543 /nfs/dbraw/zinc/83/65/43/719836543.db2.gz CRZPJOSGZWIJMQ-UHFFFAOYSA-N 1 1 469.589 3.437 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164701747 719868687 /nfs/dbraw/zinc/86/86/87/719868687.db2.gz HHMQRKXPBFXHEB-CLOONOSVSA-N 1 1 489.686 3.383 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164701748 719869025 /nfs/dbraw/zinc/86/90/25/719869025.db2.gz HHMQRKXPBFXHEB-DFBJGRDBSA-N 1 1 489.686 3.383 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@@H]4C3)c2c1C ZINC001164704951 719884359 /nfs/dbraw/zinc/88/43/59/719884359.db2.gz XXIBRLMIDHDBDC-QRVBRYPASA-N 1 1 493.637 3.031 20 0 JGADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707341 719908774 /nfs/dbraw/zinc/90/87/74/719908774.db2.gz PRPRZMDUJFYAEZ-UHFFFAOYSA-N 1 1 450.008 3.203 20 0 JGADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707341 719908776 /nfs/dbraw/zinc/90/87/76/719908776.db2.gz PRPRZMDUJFYAEZ-UHFFFAOYSA-N 1 1 450.008 3.203 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)n1 ZINC001164704861 719920854 /nfs/dbraw/zinc/92/08/54/719920854.db2.gz VHLQKVGWVPAHLB-AQNXPRMDSA-N 1 1 487.670 3.403 20 0 JGADMO Cc1noc([C@]23COC[C@@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c42)C3)n1 ZINC001164799832 720060237 /nfs/dbraw/zinc/06/02/37/720060237.db2.gz CFCGADYSQFOSPJ-GAJHUEQPSA-N 1 1 454.600 3.390 20 0 JGADMO Cc1noc([C@]23COC[C@H]2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)n1 ZINC001164802509 720060485 /nfs/dbraw/zinc/06/04/85/720060485.db2.gz IOIUFQNLGLGAAS-VOIUYBSRSA-N 1 1 466.611 3.262 20 0 JGADMO Cc1noc([C@@]23COC[C@@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c42)C3)n1 ZINC001164799834 720060679 /nfs/dbraw/zinc/06/06/79/720060679.db2.gz CFCGADYSQFOSPJ-SBUREZEXSA-N 1 1 454.600 3.390 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c12 ZINC001164811436 720070396 /nfs/dbraw/zinc/07/03/96/720070396.db2.gz OJARQLHIJWIPHH-NIYFSFCBSA-N 1 1 463.582 3.244 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164812195 720074351 /nfs/dbraw/zinc/07/43/51/720074351.db2.gz PVCTZTFXPSNRAY-YWZLYKJASA-N 1 1 458.937 3.036 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1Cl ZINC001164809297 720074512 /nfs/dbraw/zinc/07/45/12/720074512.db2.gz JGRBUYSZPNRJIB-MGPUTAFESA-N 1 1 458.937 3.036 20 0 JGADMO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC001164710948 720074969 /nfs/dbraw/zinc/07/49/69/720074969.db2.gz KZDRWGAKFNPNBI-RTBURBONSA-N 1 1 477.638 3.284 20 0 JGADMO O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164709406 720081986 /nfs/dbraw/zinc/08/19/86/720081986.db2.gz DRQIUCYQPLCTOP-INNMJMHTSA-N 1 1 476.621 3.015 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164806807 720085048 /nfs/dbraw/zinc/08/50/48/720085048.db2.gz DHBZJQZOVCOHLQ-DYESRHJHSA-N 1 1 455.981 3.460 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCC(=O)N2CCCC2)nc1 ZINC001164713305 720086902 /nfs/dbraw/zinc/08/69/02/720086902.db2.gz SIWVNRKYJQFJMN-ONJIFJTESA-N 1 1 456.631 3.394 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCC(=O)N4CCCC4)CC[C@@H]32)nc1 ZINC001164713303 720087236 /nfs/dbraw/zinc/08/72/36/720087236.db2.gz SIWVNRKYJQFJMN-KSZLKVKMSA-N 1 1 456.631 3.394 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C(=O)OC)cc31)CC2 ZINC001164709752 720101734 /nfs/dbraw/zinc/10/17/34/720101734.db2.gz CUUAMPQRSPAECM-NRFANRHFSA-N 1 1 461.566 3.319 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)C2 ZINC001164813764 720113310 /nfs/dbraw/zinc/11/33/10/720113310.db2.gz QKKQBWHIRJVJCJ-IXFSTUDKSA-N 1 1 461.010 3.364 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164714178 720115404 /nfs/dbraw/zinc/11/54/04/720115404.db2.gz AJVRSXNHSVZSID-JOCHJYFZSA-N 1 1 486.620 3.265 20 0 JGADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nc2N1C1CCCC1 ZINC001164810533 720115541 /nfs/dbraw/zinc/11/55/41/720115541.db2.gz JYUCCUYYVWQEBP-WSNOQYBDSA-N 1 1 468.646 3.141 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC)OCC ZINC001164811142 720116053 /nfs/dbraw/zinc/11/60/53/720116053.db2.gz LRXBLZCHAOWZSQ-MBSDFSHPSA-N 1 1 453.027 3.256 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164718072 720116801 /nfs/dbraw/zinc/11/68/01/720116801.db2.gz RKMKBZJJJNRMIJ-HSZRJFAPSA-N 1 1 488.636 3.369 20 0 JGADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716148 720117332 /nfs/dbraw/zinc/11/73/32/720117332.db2.gz JFLWTHHAOBIFDI-NRFANRHFSA-N 1 1 465.598 3.433 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164719072 720125711 /nfs/dbraw/zinc/12/57/11/720125711.db2.gz VIOZIDJIKQCACE-FQEVSTJZSA-N 1 1 453.587 3.334 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001164816466 720133362 /nfs/dbraw/zinc/13/33/62/720133362.db2.gz YYCCTQHPSTULIC-NVQXNPDNSA-N 1 1 463.630 3.109 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(SCC(=O)OC)n1)CC2 ZINC001164710826 720134520 /nfs/dbraw/zinc/13/45/20/720134520.db2.gz DJMJBDKGUWZMJX-FQEVSTJZSA-N 1 1 456.612 3.249 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ncn3Cc1ccccc1F)C2 ZINC001164816140 720134915 /nfs/dbraw/zinc/13/49/15/720134915.db2.gz XQWJVSFZTSBJRT-NLFFAJNJSA-N 1 1 450.562 3.198 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711250 720137667 /nfs/dbraw/zinc/13/76/67/720137667.db2.gz GKTXIAFRCQOGCU-SFHVURJKSA-N 1 1 459.978 3.209 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164710401 720144862 /nfs/dbraw/zinc/14/48/62/720144862.db2.gz AVPGYXJPKCIVRI-XMMPIXPASA-N 1 1 459.594 3.194 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(/C=C\C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815992 720149330 /nfs/dbraw/zinc/14/93/30/720149330.db2.gz JOVIDIWPKLYGOY-PVNZLMSPSA-N 1 1 484.641 3.437 20 0 JGADMO CCOC(=O)c1ccnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1C(=O)OCC ZINC001164713448 720157681 /nfs/dbraw/zinc/15/76/81/720157681.db2.gz KPKKJEXGYNZHJP-NRFANRHFSA-N 1 1 496.608 3.338 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)C2 ZINC001164814268 720176190 /nfs/dbraw/zinc/17/61/90/720176190.db2.gz FKQSNYJWFMGCHD-AMGIVPHBSA-N 1 1 480.632 3.127 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(OC)cc4)nc4ccc(F)cc43)C2)C1 ZINC001164719300 720232695 /nfs/dbraw/zinc/23/26/95/720232695.db2.gz QUJIOXLGWZTJSG-HHHXNRCGSA-N 1 1 493.583 3.109 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(OC)cc4)nc4ccc(F)cc43)C2)C1 ZINC001164719300 720232704 /nfs/dbraw/zinc/23/27/04/720232704.db2.gz QUJIOXLGWZTJSG-HHHXNRCGSA-N 1 1 493.583 3.109 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccn3)nc3ccccc31)CCC2 ZINC001164814540 720236400 /nfs/dbraw/zinc/23/64/00/720236400.db2.gz XPUUQZSTJZTZCT-UHFFFAOYSA-N 1 1 455.566 3.499 20 0 JGADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726587 720342239 /nfs/dbraw/zinc/34/22/39/720342239.db2.gz PVPPWOSJXFTFSL-XZOQPEGZSA-N 1 1 474.590 3.225 20 0 JGADMO c1cn(Cc2nnn3c2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)CCC3)cn1 ZINC001164831119 720399247 /nfs/dbraw/zinc/39/92/47/720399247.db2.gz VRXRWOPURNFLBE-UHFFFAOYSA-N 1 1 489.653 3.413 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3nnc(Cn4ccnc4)c3C2)n1 ZINC001164829606 720399885 /nfs/dbraw/zinc/39/98/85/720399885.db2.gz NWLLTBOCCZKJKE-UHFFFAOYSA-N 1 1 465.631 3.397 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccccc4nc3N3CCOCC3)CC[C@@H]21 ZINC001164834222 720540176 /nfs/dbraw/zinc/54/01/76/720540176.db2.gz CVOGTLIXVXYUOX-HFMPRLQTSA-N 1 1 461.614 3.041 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835529 720557094 /nfs/dbraw/zinc/55/70/94/720557094.db2.gz HTAJRUKXWSSIED-FGTMMUONSA-N 1 1 480.444 3.194 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)nc(N4CCOCC4)nc3Cl)CC[C@@H]21 ZINC001164835534 720557644 /nfs/dbraw/zinc/55/76/44/720557644.db2.gz HTAJRUKXWSSIED-SQNIBIBYSA-N 1 1 480.444 3.194 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835972 720577477 /nfs/dbraw/zinc/57/74/77/720577477.db2.gz DGGXEPMMBIDHIL-NNMXDRDESA-N 1 1 482.629 3.427 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838745 720584958 /nfs/dbraw/zinc/58/49/58/720584958.db2.gz LKZXVJIWBRBOOW-SXWKCWPCSA-N 1 1 496.637 3.247 20 0 JGADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)C1=O ZINC001164838374 720589798 /nfs/dbraw/zinc/58/97/98/720589798.db2.gz KUDJZUARAAGSAN-ZHALLVOQSA-N 1 1 458.010 3.069 20 0 JGADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)C1=O ZINC001164838370 720589914 /nfs/dbraw/zinc/58/99/14/720589914.db2.gz KUDJZUARAAGSAN-JENIJYKNSA-N 1 1 458.010 3.069 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)CC[C@@H]21 ZINC001164836222 720607057 /nfs/dbraw/zinc/60/70/57/720607057.db2.gz FJQPMVPOMXONFK-FUDKSRODSA-N 1 1 460.582 3.489 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@@H]21 ZINC001164840622 720608209 /nfs/dbraw/zinc/60/82/09/720608209.db2.gz QCLNQUMAOQFLCC-ILXRZTDVSA-N 1 1 450.925 3.077 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164838264 720611243 /nfs/dbraw/zinc/61/12/43/720611243.db2.gz KJRAKAZYWIURQE-TUNNFDKTSA-N 1 1 474.675 3.123 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)CC[C@@H]21 ZINC001164837783 720637887 /nfs/dbraw/zinc/63/78/87/720637887.db2.gz JLPXKRGCTLIPCS-IKGGRYGDSA-N 1 1 453.969 3.315 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C(=O)OCC ZINC001164843734 720649002 /nfs/dbraw/zinc/64/90/02/720649002.db2.gz XIMSFFALUUGGMX-NNMXDRDESA-N 1 1 469.586 3.009 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837078 720652907 /nfs/dbraw/zinc/65/29/07/720652907.db2.gz BGHNKZAVSLEZBC-OKZBNKHCSA-N 1 1 480.444 3.194 20 0 JGADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738550 720663374 /nfs/dbraw/zinc/66/33/74/720663374.db2.gz KKCJAIPNOGLPEF-ZWKOTPCHSA-N 1 1 458.900 3.474 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1C(=O)OCC ZINC001164841812 720677458 /nfs/dbraw/zinc/67/74/58/720677458.db2.gz QJKVDHLSAZFVGY-HXUWFJFHSA-N 1 1 482.581 3.090 20 0 JGADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164742666 720686955 /nfs/dbraw/zinc/68/69/55/720686955.db2.gz WHTRCPRFWJNZNC-FCHUYYIVSA-N 1 1 451.534 3.338 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164843370 720691819 /nfs/dbraw/zinc/69/18/19/720691819.db2.gz OWIDWAJMBPIYRV-FQEVSTJZSA-N 1 1 458.006 3.227 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164838987 720709393 /nfs/dbraw/zinc/70/93/93/720709393.db2.gz JXMBEOZFASNTFB-HSZRJFAPSA-N 1 1 477.657 3.332 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839818 720712375 /nfs/dbraw/zinc/71/23/75/720712375.db2.gz NHVHJJUPTPSHHB-JOCHJYFZSA-N 1 1 472.655 3.372 20 0 JGADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2C1 ZINC001164838926 720730055 /nfs/dbraw/zinc/73/00/55/720730055.db2.gz ZLGOWJVKEUJBNI-GMAHTHKFSA-N 1 1 464.610 3.405 20 0 JGADMO Cc1sc2nc(CN3CCCCC3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164745224 720762156 /nfs/dbraw/zinc/76/21/56/720762156.db2.gz UBXKVLACOPNOSD-PMACEKPBSA-N 1 1 479.654 3.426 20 0 JGADMO c1ncc(O[C@H]2C[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)cn1 ZINC001164738609 720763161 /nfs/dbraw/zinc/76/31/61/720763161.db2.gz GIVGRAXOVUMQNG-MOPGFXCFSA-N 1 1 491.665 3.298 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164747710 720791059 /nfs/dbraw/zinc/79/10/59/720791059.db2.gz PEJVBKKBRHJCEJ-ROUUACIJSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164747710 720791072 /nfs/dbraw/zinc/79/10/72/720791072.db2.gz PEJVBKKBRHJCEJ-ROUUACIJSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164747705 720792604 /nfs/dbraw/zinc/79/26/04/720792604.db2.gz PEJVBKKBRHJCEJ-MSOLQXFVSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164747705 720792617 /nfs/dbraw/zinc/79/26/17/720792617.db2.gz PEJVBKKBRHJCEJ-MSOLQXFVSA-N 1 1 458.900 3.474 20 0 JGADMO c1cc(N2CCCCC2)ccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164748206 720794153 /nfs/dbraw/zinc/79/41/53/720794153.db2.gz QBSDHMXZJZEDJE-DHIUTWEWSA-N 1 1 457.582 3.266 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@@H]43)c2c1C ZINC001164846972 720803149 /nfs/dbraw/zinc/80/31/49/720803149.db2.gz LMFSIEKTZSRXGL-AABGKKOBSA-N 1 1 469.655 3.414 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164849643 720803201 /nfs/dbraw/zinc/80/32/01/720803201.db2.gz SHBJJGTWZKHMBL-VAMGGRTRSA-N 1 1 481.666 3.286 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@@H]43)c2c1C ZINC001164844587 720803280 /nfs/dbraw/zinc/80/32/80/720803280.db2.gz BRZPCFVUKYFHQC-FHWLQOOXSA-N 1 1 455.628 3.024 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)C3CCC3)[C@H]3COC[C@@H]32)n1 ZINC001164844061 720803316 /nfs/dbraw/zinc/80/33/16/720803316.db2.gz ALHKIYUOBNYJHH-QYZOEREBSA-N 1 1 457.644 3.270 20 0 JGADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164750534 720804129 /nfs/dbraw/zinc/80/41/29/720804129.db2.gz VVWPEXXAWLJRAQ-ROUUACIJSA-N 1 1 486.967 3.386 20 0 JGADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164749320 720805632 /nfs/dbraw/zinc/80/56/32/720805632.db2.gz UDZXIBGNYMYKKR-SJLPKXTDSA-N 1 1 488.926 3.482 20 0 JGADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164749320 720805637 /nfs/dbraw/zinc/80/56/37/720805637.db2.gz UDZXIBGNYMYKKR-SJLPKXTDSA-N 1 1 488.926 3.482 20 0 JGADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164749315 720805675 /nfs/dbraw/zinc/80/56/75/720805675.db2.gz UDZXIBGNYMYKKR-AEFFLSMTSA-N 1 1 488.926 3.482 20 0 JGADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164749315 720805678 /nfs/dbraw/zinc/80/56/78/720805678.db2.gz UDZXIBGNYMYKKR-AEFFLSMTSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164749864 720805915 /nfs/dbraw/zinc/80/59/15/720805915.db2.gz URHASTAXLOGYCD-AEFFLSMTSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164749864 720805918 /nfs/dbraw/zinc/80/59/18/720805918.db2.gz URHASTAXLOGYCD-AEFFLSMTSA-N 1 1 488.926 3.482 20 0 JGADMO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752137 720811447 /nfs/dbraw/zinc/81/14/47/720811447.db2.gz YWGZZKHJOHHNGC-IJEWVQPXSA-N 1 1 458.344 3.299 20 0 JGADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742420 720812296 /nfs/dbraw/zinc/81/22/96/720812296.db2.gz CYGSETXYNXXADN-QWFCFKBJSA-N 1 1 458.994 3.191 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(Cc5ccncc5)C(=O)[C@H]4C3)c2c1C ZINC001164848613 720812909 /nfs/dbraw/zinc/81/29/09/720812909.db2.gz DFMJZKUWBDJYHR-UXHICEINSA-N 1 1 462.623 3.394 20 0 JGADMO O=C([C@@H]1CC[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1)N1CCCO1 ZINC001164847710 720821594 /nfs/dbraw/zinc/82/15/94/720821594.db2.gz KHFGJZGHHBFDHE-UFYCRDLUSA-N 1 1 497.665 3.456 20 0 JGADMO O=C([C@@H]1CC[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1)N1CCCO1 ZINC001164846827 720821610 /nfs/dbraw/zinc/82/16/10/720821610.db2.gz HDVUKZSWXNXGHU-AABGKKOBSA-N 1 1 497.665 3.456 20 0 JGADMO O=C([C@@H]1CC[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1)N1CCCO1 ZINC001164846829 720821714 /nfs/dbraw/zinc/82/17/14/720821714.db2.gz HDVUKZSWXNXGHU-UFYCRDLUSA-N 1 1 497.665 3.456 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164738402 720822523 /nfs/dbraw/zinc/82/25/23/720822523.db2.gz FOBDFWRAALVMKE-SQGPQFPESA-N 1 1 484.004 3.271 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742625 720826301 /nfs/dbraw/zinc/82/63/01/720826301.db2.gz QEVAJWJMIFURIE-LZLYRXPVSA-N 1 1 480.947 3.037 20 0 JGADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164743301 720827171 /nfs/dbraw/zinc/82/71/71/720827171.db2.gz RYKLEMKSYZACIV-YOSAUDMPSA-N 1 1 460.582 3.382 20 0 JGADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164743298 720827175 /nfs/dbraw/zinc/82/71/75/720827175.db2.gz RYKLEMKSYZACIV-DCLXLUIPSA-N 1 1 460.582 3.382 20 0 JGADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164740142 720827426 /nfs/dbraw/zinc/82/74/26/720827426.db2.gz JDPRMYWUMGLQTD-QWFCFKBJSA-N 1 1 458.994 3.191 20 0 JGADMO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737741 720828019 /nfs/dbraw/zinc/82/80/19/720828019.db2.gz CJHFFFJPLPAZDJ-ZIFCJYIRSA-N 1 1 453.978 3.263 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1)OCC ZINC001164742853 720828862 /nfs/dbraw/zinc/82/88/62/720828862.db2.gz RANOILJGTGQEPA-QKNQBKEWSA-N 1 1 490.052 3.043 20 0 JGADMO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164741725 720832364 /nfs/dbraw/zinc/83/23/64/720832364.db2.gz OCEHFKKRAVHFLD-ZIFCJYIRSA-N 1 1 453.978 3.263 20 0 JGADMO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749328 720832725 /nfs/dbraw/zinc/83/27/25/720832725.db2.gz VPUUAUPPNLQBBJ-GIFXNVAJSA-N 1 1 468.609 3.451 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739944 720833776 /nfs/dbraw/zinc/83/37/76/720833776.db2.gz BBRWYTOVJHZRHX-PCCBWWKXSA-N 1 1 472.037 3.188 20 0 JGADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164745176 720833884 /nfs/dbraw/zinc/83/38/84/720833884.db2.gz MHXHUQKXOUJFMS-IXDOHACOSA-N 1 1 452.937 3.259 20 0 JGADMO Cc1nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)c1C ZINC001164750334 720835992 /nfs/dbraw/zinc/83/59/92/720835992.db2.gz XICBXGFQLOGXMQ-FGTMMUONSA-N 1 1 451.953 3.263 20 0 JGADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739365 720836242 /nfs/dbraw/zinc/83/62/42/720836242.db2.gz AAVLAZKFHPNILR-XYJFISCASA-N 1 1 474.947 3.194 20 0 JGADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751004 720839921 /nfs/dbraw/zinc/83/99/21/720839921.db2.gz XPWGPKUQDYBZBI-OKZBNKHCSA-N 1 1 455.998 3.032 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OCc5ccccc5)c(OC)cc43)CC[C@H]2C1 ZINC001164857834 720841096 /nfs/dbraw/zinc/84/10/96/720841096.db2.gz YSMSZFOPHJYQCE-LVXARBLLSA-N 1 1 478.593 3.391 20 0 JGADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747823 720842389 /nfs/dbraw/zinc/84/23/89/720842389.db2.gz RSAVUMMDVCYAKI-OWCLPIDISA-N 1 1 472.371 3.385 20 0 JGADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747819 720842475 /nfs/dbraw/zinc/84/24/75/720842475.db2.gz RSAVUMMDVCYAKI-HRCADAONSA-N 1 1 472.371 3.385 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2[nH]cnc21 ZINC001164741596 720844639 /nfs/dbraw/zinc/84/46/39/720844639.db2.gz FJDNIJBRBACKSS-WSTZPKSXSA-N 1 1 493.616 3.276 20 0 JGADMO O=C(c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CCc2ccccc21 ZINC001164751958 720846683 /nfs/dbraw/zinc/84/66/83/720846683.db2.gz ZXBXEAVIPXDRTB-PPJWLVRDSA-N 1 1 483.620 3.255 20 0 JGADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c(OC)c1 ZINC001164753053 720852089 /nfs/dbraw/zinc/85/20/89/720852089.db2.gz VOYOTSZQPUOSKZ-YOSAUDMPSA-N 1 1 475.597 3.132 20 0 JGADMO Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164747604 720852096 /nfs/dbraw/zinc/85/20/96/720852096.db2.gz IFGIFCUDSBJUQB-NJNPRVFISA-N 1 1 451.525 3.393 20 0 JGADMO Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164747602 720852388 /nfs/dbraw/zinc/85/23/88/720852388.db2.gz IFGIFCUDSBJUQB-JBYIUTFZSA-N 1 1 451.525 3.393 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)CC[C@H]2C1 ZINC001164858241 720855335 /nfs/dbraw/zinc/85/53/35/720855335.db2.gz RSARXYNGWHRZEY-UWJYYQICSA-N 1 1 462.953 3.300 20 0 JGADMO COc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC(C)C ZINC001164755453 720867345 /nfs/dbraw/zinc/86/73/45/720867345.db2.gz XEGNVUMCEAXRGL-GJZUVCINSA-N 1 1 466.630 3.456 20 0 JGADMO COc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC(C)C ZINC001164755454 720867398 /nfs/dbraw/zinc/86/73/98/720867398.db2.gz XEGNVUMCEAXRGL-NVQXNPDNSA-N 1 1 466.630 3.456 20 0 JGADMO COc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC(C)C ZINC001164755452 720867738 /nfs/dbraw/zinc/86/77/38/720867738.db2.gz XEGNVUMCEAXRGL-BKMJKUGQSA-N 1 1 466.630 3.456 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC[C@H]2C1 ZINC001164855485 720868985 /nfs/dbraw/zinc/86/89/85/720868985.db2.gz MYIYTLVQUQRDLQ-ZEQRLZLVSA-N 1 1 453.583 3.358 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751538 720870286 /nfs/dbraw/zinc/87/02/86/720870286.db2.gz KXYQWZBNSUJIFY-CJFMBICVSA-N 1 1 486.016 3.457 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751544 720870555 /nfs/dbraw/zinc/87/05/55/720870555.db2.gz KXYQWZBNSUJIFY-NLFFAJNJSA-N 1 1 486.016 3.457 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164853369 720875506 /nfs/dbraw/zinc/87/55/06/720875506.db2.gz CCHFHNVCCCAWNM-TZIWHRDSSA-N 1 1 485.698 3.339 20 0 JGADMO COC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1OC ZINC001164748526 720875622 /nfs/dbraw/zinc/87/56/22/720875622.db2.gz FRLILTVYJVVHIH-QFQXNSOFSA-N 1 1 466.582 3.027 20 0 JGADMO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753839 720880619 /nfs/dbraw/zinc/88/06/19/720880619.db2.gz QDVCIUWAPHDTIO-KOSHJBKYSA-N 1 1 473.980 3.123 20 0 JGADMO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753847 720880737 /nfs/dbraw/zinc/88/07/37/720880737.db2.gz QDVCIUWAPHDTIO-UUOWRZLLSA-N 1 1 473.980 3.123 20 0 JGADMO COC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164749022 720881419 /nfs/dbraw/zinc/88/14/19/720881419.db2.gz GCTMZCPXEYLLDP-ZEQKJWHPSA-N 1 1 450.583 3.327 20 0 JGADMO CSc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748455 720881521 /nfs/dbraw/zinc/88/15/21/720881521.db2.gz DXYRTQRFEIIFPV-AVRDEDQJSA-N 1 1 461.035 3.397 20 0 JGADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)COC2 ZINC001164753889 720881534 /nfs/dbraw/zinc/88/15/34/720881534.db2.gz QGKWJHQZNGZJBJ-YADARESESA-N 1 1 455.990 3.310 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC[C@@H]2C1 ZINC001164859790 720884596 /nfs/dbraw/zinc/88/45/96/720884596.db2.gz MVEJNXCSXHBIFU-RCZVLFRGSA-N 1 1 451.615 3.307 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756916 720886049 /nfs/dbraw/zinc/88/60/49/720886049.db2.gz SCYSHRLDUHZLKB-CPJSRVTESA-N 1 1 486.016 3.457 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)CC[C@H]2C1 ZINC001164852866 720890172 /nfs/dbraw/zinc/89/01/72/720890172.db2.gz ADFOWAYWMUNCHL-RXVVDRJESA-N 1 1 481.000 3.428 20 0 JGADMO Clc1ncc(N2CCOCC2)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758160 720891160 /nfs/dbraw/zinc/89/11/60/720891160.db2.gz XHMRSOTUHXTYTL-BKMJKUGQSA-N 1 1 499.059 3.117 20 0 JGADMO CCOC(=O)c1ncnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164756840 720894031 /nfs/dbraw/zinc/89/40/31/720894031.db2.gz RLPIIDGOPGKOBO-BKMJKUGQSA-N 1 1 465.598 3.112 20 0 JGADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756036 720894353 /nfs/dbraw/zinc/89/43/53/720894353.db2.gz OFAVINSNFXRROZ-SBUREZEXSA-N 1 1 491.423 3.032 20 0 JGADMO CNC(=O)c1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164756220 720895942 /nfs/dbraw/zinc/89/59/42/720895942.db2.gz OKFWAOVSQWVCBU-CPJSRVTESA-N 1 1 470.017 3.245 20 0 JGADMO CC(C)c1nc(N(C)C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755034 720895983 /nfs/dbraw/zinc/89/59/83/720895983.db2.gz KJZVQVCQVGJKHZ-BKMJKUGQSA-N 1 1 465.646 3.211 20 0 JGADMO O=C1NCc2c1cc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758506 720896622 /nfs/dbraw/zinc/89/66/22/720896622.db2.gz YTALFHNOYVJVRD-UQBPGWFLSA-N 1 1 468.001 3.129 20 0 JGADMO CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(N2CCOCC2)n1 ZINC001164755695 720897822 /nfs/dbraw/zinc/89/78/22/720897822.db2.gz MQOFTGZHEAIJST-CUBQBAPOSA-N 1 1 492.668 3.026 20 0 JGADMO CCN(CC)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164758457 720898711 /nfs/dbraw/zinc/89/87/11/720898711.db2.gz YEVLXJWSKXMZDP-OZXSUGGESA-N 1 1 450.631 3.473 20 0 JGADMO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cccc(N4CCOCC4)n2)C3)c1 ZINC001164749644 720899226 /nfs/dbraw/zinc/89/92/26/720899226.db2.gz ANVTXNYURRQCBT-IGKIAQTJSA-N 1 1 463.626 3.068 20 0 JGADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cccc(N4CCOCC4)n2)C3)c1 ZINC001164749644 720899229 /nfs/dbraw/zinc/89/92/29/720899229.db2.gz ANVTXNYURRQCBT-IGKIAQTJSA-N 1 1 463.626 3.068 20 0 JGADMO COC(OC)c1c(CO)ccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752814 720899865 /nfs/dbraw/zinc/89/98/65/720899865.db2.gz GADCAPUIKYMHDT-WNCULLNHSA-N 1 1 482.625 3.015 20 0 JGADMO COC(OC)c1c(CO)ccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752803 720899964 /nfs/dbraw/zinc/89/99/64/720899964.db2.gz GADCAPUIKYMHDT-HOFKKMOUSA-N 1 1 482.625 3.015 20 0 JGADMO COc1cnc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752594 720904595 /nfs/dbraw/zinc/90/45/95/720904595.db2.gz FEDOJRZOQAEYMI-RLWLMLJZSA-N 1 1 460.582 3.184 20 0 JGADMO CN1CCOc2c(Cl)nnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164753290 720905941 /nfs/dbraw/zinc/90/59/41/720905941.db2.gz RKNQJMGPUKOCRR-NBGIEHNGSA-N 1 1 485.032 3.109 20 0 JGADMO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749667 720907535 /nfs/dbraw/zinc/90/75/35/720907535.db2.gz IINUOTBVKPKVCQ-HYBUGGRVSA-N 1 1 491.057 3.289 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@@H](CNC(=O)c4ccno4)[C@@H]3C2)nc1 ZINC001164855185 720913406 /nfs/dbraw/zinc/91/34/06/720913406.db2.gz HRJSDNMAGLHFNY-FQOCKNPQSA-N 1 1 453.587 3.278 20 0 JGADMO NC(=O)c1cc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752130 720918855 /nfs/dbraw/zinc/91/88/55/720918855.db2.gz NEPXEYHLXYMHTA-LXFBAYGMSA-N 1 1 471.605 3.484 20 0 JGADMO O=C(NC1CCCC1)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164754970 720922426 /nfs/dbraw/zinc/92/24/26/720922426.db2.gz XOXOWMZWUZWYMF-LXFBAYGMSA-N 1 1 490.652 3.299 20 0 JGADMO O=C(NC1CCCC1)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164754967 720922942 /nfs/dbraw/zinc/92/29/42/720922942.db2.gz XOXOWMZWUZWYMF-FIPFOOKPSA-N 1 1 490.652 3.299 20 0 JGADMO COC(=O)c1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747434 720922988 /nfs/dbraw/zinc/92/29/88/720922988.db2.gz DFDFHNRFHODSBI-CYFREDJKSA-N 1 1 471.989 3.067 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856617 720925504 /nfs/dbraw/zinc/92/55/04/720925504.db2.gz KMAXTYNFSOZRBT-ZDUSSCGKSA-N 1 1 456.925 3.470 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)[C@H]2C ZINC001164856187 720936065 /nfs/dbraw/zinc/93/60/65/720936065.db2.gz CGJRMBLAASXEGB-HNNXBMFYSA-N 1 1 469.968 3.129 20 0 JGADMO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750856 720938328 /nfs/dbraw/zinc/93/83/28/720938328.db2.gz KZBKENJHWDBBHH-AJSBUHFISA-N 1 1 461.969 3.408 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)[C@@H]2C ZINC001164864192 720990510 /nfs/dbraw/zinc/99/05/10/720990510.db2.gz ZGBDTPJUWZKBIR-QGZVFWFLSA-N 1 1 470.599 3.290 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4CO[C@H](CNC(=O)N(C)C)[C@@H]4C3)c2c1C ZINC001164756168 720997234 /nfs/dbraw/zinc/99/72/34/720997234.db2.gz FYCBWKSHWLHHBO-VAMGGRTRSA-N 1 1 486.686 3.407 20 0 JGADMO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164756200 720997492 /nfs/dbraw/zinc/99/74/92/720997492.db2.gz GHTMTJDJWSBSMT-IHPCNDPISA-N 1 1 498.697 3.278 20 0 JGADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001164761288 721014873 /nfs/dbraw/zinc/01/48/73/721014873.db2.gz SKWPDJUKPOLDQQ-FCEUIQTBSA-N 1 1 470.017 3.368 20 0 JGADMO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1=O ZINC001164862941 721027187 /nfs/dbraw/zinc/02/71/87/721027187.db2.gz SAIPWFZWCBLWOK-DSNGMDLFSA-N 1 1 489.664 3.382 20 0 JGADMO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1=O ZINC001164862941 721027193 /nfs/dbraw/zinc/02/71/93/721027193.db2.gz SAIPWFZWCBLWOK-DSNGMDLFSA-N 1 1 489.664 3.382 20 0 JGADMO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1=O ZINC001164862946 721027288 /nfs/dbraw/zinc/02/72/88/721027288.db2.gz SAIPWFZWCBLWOK-UBFVSLLYSA-N 1 1 489.664 3.382 20 0 JGADMO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1=O ZINC001164862946 721027299 /nfs/dbraw/zinc/02/72/99/721027299.db2.gz SAIPWFZWCBLWOK-UBFVSLLYSA-N 1 1 489.664 3.382 20 0 JGADMO Clc1nc2c(c(N3CCc4[nH+]cc(Cn5cccn5)n4CC3)n1)CN(Cc1ccccc1)CC2 ZINC001164861123 721031324 /nfs/dbraw/zinc/03/13/24/721031324.db2.gz CFKGMXHEUJFADQ-UHFFFAOYSA-N 1 1 475.000 3.192 20 0 JGADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861324 721033214 /nfs/dbraw/zinc/03/32/14/721033214.db2.gz GKUZCIXTFLQAKY-QFIPXVFZSA-N 1 1 453.909 3.429 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)n1 ZINC001164767674 721038426 /nfs/dbraw/zinc/03/84/26/721038426.db2.gz SGYZYTJXLDUDMN-RTBURBONSA-N 1 1 467.643 3.377 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164867770 721061933 /nfs/dbraw/zinc/06/19/33/721061933.db2.gz KILKPOOYEGGKSL-LEWJYISDSA-N 1 1 455.990 3.236 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1Cl ZINC001164867393 721066228 /nfs/dbraw/zinc/06/62/28/721066228.db2.gz ISOFVKITWBYQAF-CVEARBPZSA-N 1 1 451.354 3.440 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1Cl ZINC001164867393 721066230 /nfs/dbraw/zinc/06/62/30/721066230.db2.gz ISOFVKITWBYQAF-CVEARBPZSA-N 1 1 451.354 3.440 20 0 JGADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164865574 721089086 /nfs/dbraw/zinc/08/90/86/721089086.db2.gz NDKRPLAKXWUCSU-DHIUTWEWSA-N 1 1 489.624 3.123 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164760975 721092680 /nfs/dbraw/zinc/09/26/80/721092680.db2.gz AGQXEHAIVLOZOJ-IRLDBZIGSA-N 1 1 465.001 3.357 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2[nH]cnc21 ZINC001164881212 721134961 /nfs/dbraw/zinc/13/49/61/721134961.db2.gz ZZEYODZHLSHKLV-QZTJIDSGSA-N 1 1 465.558 3.180 20 0 JGADMO O=C(NC1CCCC1)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164876994 721151849 /nfs/dbraw/zinc/15/18/49/721151849.db2.gz NMFVIKIDGAZKGI-NHCUHLMSSA-N 1 1 455.990 3.282 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)NCCSCc4ccco4)C[C@H]3C2)cn1 ZINC001164764267 721162464 /nfs/dbraw/zinc/16/24/64/721162464.db2.gz HNVHIENNECVAKV-NHCUHLMSSA-N 1 1 480.638 3.030 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C[C@@H]3C2)cn1 ZINC001164774403 721190819 /nfs/dbraw/zinc/19/08/19/721190819.db2.gz YZRUTWSOKAIPGQ-MSOLQXFVSA-N 1 1 459.932 3.429 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C[C@@H]3C2)cn1 ZINC001164761376 721244311 /nfs/dbraw/zinc/24/43/11/721244311.db2.gz HXGZTWTZEIQJPB-HOTGVXAUSA-N 1 1 454.909 3.064 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC2)C1 ZINC001164874501 721278375 /nfs/dbraw/zinc/27/83/75/721278375.db2.gz SUFBYEPXYSHGTF-UHFFFAOYSA-N 1 1 493.986 3.349 20 0 JGADMO Cc1nc2sc3c(c2c(N2CCC4(CC2)COCC[N@H+](CC(=O)N(C)C)C4)n1)CCCCC3 ZINC001164872472 721285006 /nfs/dbraw/zinc/28/50/06/721285006.db2.gz DWSCQNNFQCWOBB-UHFFFAOYSA-N 1 1 471.671 3.276 20 0 JGADMO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)nc1 ZINC001164879209 721290923 /nfs/dbraw/zinc/29/09/23/721290923.db2.gz XBIVTDDCIULELL-QHCPKHFHSA-N 1 1 457.663 3.026 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)nc1 ZINC001164879209 721290927 /nfs/dbraw/zinc/29/09/27/721290927.db2.gz XBIVTDDCIULELL-QHCPKHFHSA-N 1 1 457.663 3.026 20 0 JGADMO O=C(NCc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@H]2OCC[C@H]21 ZINC001164881972 721301947 /nfs/dbraw/zinc/30/19/47/721301947.db2.gz YVSLJAPWJSICDE-WEWMWRJBSA-N 1 1 483.616 3.193 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCCN(c5ccc(C)nn5)[C@@H]4C3)c2c1C ZINC001164776623 721312766 /nfs/dbraw/zinc/31/27/66/721312766.db2.gz NUKPVSWYKHHOOC-WOJBJXKFSA-N 1 1 479.654 3.486 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)nc1 ZINC001164877080 721323959 /nfs/dbraw/zinc/32/39/59/721323959.db2.gz JBFPYNYKDUGHKD-BQXRJHOYSA-N 1 1 464.614 3.222 20 0 JGADMO Cc1nc(COC[C@H]2Cn3nccc3CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)cs1 ZINC001164875521 721332579 /nfs/dbraw/zinc/33/25/79/721332579.db2.gz LUMIDPDCSORPOH-LJQANCHMSA-N 1 1 468.627 3.369 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)C1 ZINC001164777402 721333926 /nfs/dbraw/zinc/33/39/26/721333926.db2.gz MYCZWPLKMVLVBZ-OAQYLSRUSA-N 1 1 483.947 3.103 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)C1 ZINC001164777402 721333930 /nfs/dbraw/zinc/33/39/30/721333930.db2.gz MYCZWPLKMVLVBZ-OAQYLSRUSA-N 1 1 483.947 3.103 20 0 JGADMO CCOC(=O)/C=C/c1cccnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778865 721334162 /nfs/dbraw/zinc/33/41/62/721334162.db2.gz ZMZBTIHJJGAFDJ-REJWQLKLSA-N 1 1 454.571 3.382 20 0 JGADMO COC(=O)c1ccc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164778377 721338348 /nfs/dbraw/zinc/33/83/48/721338348.db2.gz UVRPOMYTWGYKPH-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1 ZINC001164881786 721338524 /nfs/dbraw/zinc/33/85/24/721338524.db2.gz AVKSRLOBHAOEOF-ZEVJAHDQSA-N 1 1 456.631 3.110 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779783 721341842 /nfs/dbraw/zinc/34/18/42/721341842.db2.gz WMFQMORBRXCDCV-JOCHJYFZSA-N 1 1 463.966 3.031 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779783 721341845 /nfs/dbraw/zinc/34/18/45/721341845.db2.gz WMFQMORBRXCDCV-JOCHJYFZSA-N 1 1 463.966 3.031 20 0 JGADMO COc1nc(Cl)ncc1C(F)(F)N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779932 721363454 /nfs/dbraw/zinc/36/34/54/721363454.db2.gz AVSIHEUBYTVVQZ-FQEVSTJZSA-N 1 1 471.936 3.407 20 0 JGADMO COc1nc(Cl)ncc1C(F)(F)N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779932 721363456 /nfs/dbraw/zinc/36/34/56/721363456.db2.gz AVSIHEUBYTVVQZ-FQEVSTJZSA-N 1 1 471.936 3.407 20 0 JGADMO Cc1cc(NC(=O)c2cccnc2N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)no1 ZINC001164782256 721365534 /nfs/dbraw/zinc/36/55/34/721365534.db2.gz LRWIATAUSKIFOX-VWLOTQADSA-N 1 1 480.569 3.354 20 0 JGADMO Cc1cc(NC(=O)c2cccnc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)no1 ZINC001164782256 721365536 /nfs/dbraw/zinc/36/55/36/721365536.db2.gz LRWIATAUSKIFOX-VWLOTQADSA-N 1 1 480.569 3.354 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)C1 ZINC001164781594 721366330 /nfs/dbraw/zinc/36/63/30/721366330.db2.gz KASJFEMXMTZKQE-VWLOTQADSA-N 1 1 454.619 3.437 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C2)C1 ZINC001164788548 721372898 /nfs/dbraw/zinc/37/28/98/721372898.db2.gz ZSOHNEICTNYSLO-OAQYLSRUSA-N 1 1 484.979 3.465 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C2)C1 ZINC001164788548 721372902 /nfs/dbraw/zinc/37/29/02/721372902.db2.gz ZSOHNEICTNYSLO-OAQYLSRUSA-N 1 1 484.979 3.465 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cnc(Cl)cn3)C2)C1 ZINC001164786988 721376703 /nfs/dbraw/zinc/37/67/03/721376703.db2.gz WMFRTUHKGKESDE-IBGZPJMESA-N 1 1 457.909 3.279 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cnc(Cl)cn3)C2)C1 ZINC001164786988 721376705 /nfs/dbraw/zinc/37/67/05/721376705.db2.gz WMFRTUHKGKESDE-IBGZPJMESA-N 1 1 457.909 3.279 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C3)O2)CC1 ZINC001164884349 721384399 /nfs/dbraw/zinc/38/43/99/721384399.db2.gz AJRJYRLSFDHSSD-KBXCAEBGSA-N 1 1 450.361 3.094 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C3)O2)CC1 ZINC001164890420 721391797 /nfs/dbraw/zinc/39/17/97/721391797.db2.gz NFHJAQOINNZBFC-XMSQKQJNSA-N 1 1 485.023 3.041 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C(=O)N5CCCCC5)cc(Cl)n4)C3)O2)CC1 ZINC001164889795 721392195 /nfs/dbraw/zinc/39/21/95/721392195.db2.gz MIRRTUSPGGNUQL-BWKNWUBXSA-N 1 1 476.065 3.127 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C(=O)N5CCCCC5)cc(Cl)n4)C3)O2)CC1 ZINC001164889800 721393716 /nfs/dbraw/zinc/39/37/16/721393716.db2.gz MIRRTUSPGGNUQL-PXDATVDWSA-N 1 1 476.065 3.127 20 0 JGADMO Cc1cc2c(ncnc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164789210 721398995 /nfs/dbraw/zinc/39/89/95/721398995.db2.gz UIJAZHIGZKIOFB-QZTJIDSGSA-N 1 1 480.619 3.001 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2cc1OC ZINC001164887681 721413193 /nfs/dbraw/zinc/41/31/93/721413193.db2.gz MEAFGVHVJPXWGU-XDHUDOTRSA-N 1 1 476.021 3.066 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C3)O2)CC1 ZINC001164891972 721418308 /nfs/dbraw/zinc/41/83/08/721418308.db2.gz XLHIEIOVNRWGEH-CYFREDJKSA-N 1 1 464.054 3.029 20 0 JGADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164787220 721420351 /nfs/dbraw/zinc/42/03/51/721420351.db2.gz PRMJWLROMMMLSE-IWDGFTLQSA-N 1 1 469.611 3.277 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Oc5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164883735 721421179 /nfs/dbraw/zinc/42/11/79/721421179.db2.gz BXTBBBKBQBQXRN-WMZHIEFXSA-N 1 1 476.984 3.222 20 0 JGADMO c1csc(C[NH+]2C[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784775 721426312 /nfs/dbraw/zinc/42/63/12/721426312.db2.gz MDMMXZALVCHRKK-QZTJIDSGSA-N 1 1 496.706 3.427 20 0 JGADMO c1csc(C[NH+]2C[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2)n1 ZINC001164786341 721426429 /nfs/dbraw/zinc/42/64/29/721426429.db2.gz OMDIAALMGKXCAR-IRXDYDNUSA-N 1 1 482.679 3.037 20 0 JGADMO c1csc(C[NH+]2C[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164786337 721426820 /nfs/dbraw/zinc/42/68/20/721426820.db2.gz OMDIAALMGKXCAR-IAGOWNOFSA-N 1 1 482.679 3.037 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164891774 721428680 /nfs/dbraw/zinc/42/86/80/721428680.db2.gz HJFUKKPTUOUZFE-DNVCBOLYSA-N 1 1 464.388 3.180 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)N4CCc5ccccc54)C3)O2)CC1 ZINC001164893148 721433329 /nfs/dbraw/zinc/43/33/29/721433329.db2.gz JJBLNPKCCBKQSL-LXFBAYGMSA-N 1 1 475.637 3.050 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)N4CCc5ccccc54)C3)O2)CC1 ZINC001164893145 721433369 /nfs/dbraw/zinc/43/33/69/721433369.db2.gz JJBLNPKCCBKQSL-FIPFOOKPSA-N 1 1 475.637 3.050 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccn5)nc5ccccc54)C3)O2)CC1 ZINC001164893158 721434055 /nfs/dbraw/zinc/43/40/55/721434055.db2.gz JKOBSZFMNMMPKB-KDYSTLNUSA-N 1 1 458.610 3.457 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C3)O2)CC1 ZINC001164892162 721440410 /nfs/dbraw/zinc/44/04/10/721440410.db2.gz HMHVGCHTZLINMX-WXVAWEFUSA-N 1 1 479.625 3.070 20 0 JGADMO CCOC(=O)c1cnc(SC)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164787893 721450066 /nfs/dbraw/zinc/45/00/66/721450066.db2.gz RDSOYKPUWUDMDF-LJQANCHMSA-N 1 1 478.659 3.109 20 0 JGADMO CCOC(=O)c1cc2ccnc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c2[nH]1 ZINC001164786500 721457920 /nfs/dbraw/zinc/45/79/20/721457920.db2.gz OJXLFHGSBSWEEW-NRFANRHFSA-N 1 1 470.614 3.474 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)CC2 ZINC001164782814 721458913 /nfs/dbraw/zinc/45/89/13/721458913.db2.gz CSQJBVVAFMUCJW-IBGZPJMESA-N 1 1 486.613 3.092 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(COC)nc(SC)n1)CC2 ZINC001164790018 721459166 /nfs/dbraw/zinc/45/91/66/721459166.db2.gz ZACBIVZUVAHHRG-FQEVSTJZSA-N 1 1 450.649 3.079 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)N3CCCC3)ccn1)CC2 ZINC001164786481 721463389 /nfs/dbraw/zinc/46/33/89/721463389.db2.gz OHWGAJFIKXPLIC-QHCPKHFHSA-N 1 1 456.631 3.052 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)nc1OC)CC2 ZINC001164786823 721464698 /nfs/dbraw/zinc/46/46/98/721464698.db2.gz PLUZQUBJIHTPAE-QGZVFWFLSA-N 1 1 474.980 3.417 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164791857 721467373 /nfs/dbraw/zinc/46/73/73/721467373.db2.gz ZZMSFPJPBMOJBO-GOSISDBHSA-N 1 1 474.980 3.331 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(N3CCC(C)CC3)nn1)CC2 ZINC001164789987 721467377 /nfs/dbraw/zinc/46/73/77/721467377.db2.gz PSSXYHVUJBHZAG-QHCPKHFHSA-N 1 1 457.663 3.447 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@@H]4C3)c2c1C ZINC001164791901 721482317 /nfs/dbraw/zinc/48/23/17/721482317.db2.gz KLOOMJUKQCBGCG-UFYCRDLUSA-N 1 1 485.654 3.299 20 0 JGADMO COC(=O)C1CCN(c2ccnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n2)CC1 ZINC001164796802 721498096 /nfs/dbraw/zinc/49/80/96/721498096.db2.gz YNABEQNBPATRLQ-UHFFFAOYSA-N 1 1 464.614 3.142 20 0 JGADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164796736 721499965 /nfs/dbraw/zinc/49/99/65/721499965.db2.gz WOGPGVSNIONJBQ-UHFFFAOYSA-N 1 1 462.646 3.348 20 0 JGADMO O=C1NC2(C[C@@H]1c1ccncc1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164897462 721503530 /nfs/dbraw/zinc/50/35/30/721503530.db2.gz MAHXTGFNCJWOQI-HSZRJFAPSA-N 1 1 454.578 3.073 20 0 JGADMO O=C1NC2(C[C@@H]1c1ccncc1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164897462 721503533 /nfs/dbraw/zinc/50/35/33/721503533.db2.gz MAHXTGFNCJWOQI-HSZRJFAPSA-N 1 1 454.578 3.073 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900102 721513001 /nfs/dbraw/zinc/51/30/01/721513001.db2.gz OAZCZBCMJMQPSH-GOEBONIOSA-N 1 1 470.879 3.333 20 0 JGADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164898585 721518945 /nfs/dbraw/zinc/51/89/45/721518945.db2.gz JERNZMWVHGXFFK-MJGOQNOKSA-N 1 1 455.559 3.009 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164904081 721533093 /nfs/dbraw/zinc/53/30/93/721533093.db2.gz FDPVJKXLCTUVKT-YMPZKCBVSA-N 1 1 494.615 3.462 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808367 721547931 /nfs/dbraw/zinc/54/79/31/721547931.db2.gz RRICFYAUBFKQSX-HBFSDRIKSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808367 721547933 /nfs/dbraw/zinc/54/79/33/721547933.db2.gz RRICFYAUBFKQSX-HBFSDRIKSA-N 1 1 466.916 3.330 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)[C@@H]2CCCO[C@@H]12 ZINC001164799184 721552644 /nfs/dbraw/zinc/55/26/44/721552644.db2.gz BAUSTAAEPQGREE-WERVVEIQSA-N 1 1 484.004 3.442 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)[C@@H]2CCCO[C@@H]12 ZINC001164799184 721552650 /nfs/dbraw/zinc/55/26/50/721552650.db2.gz BAUSTAAEPQGREE-WERVVEIQSA-N 1 1 484.004 3.442 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164799532 721560757 /nfs/dbraw/zinc/56/07/57/721560757.db2.gz CHTSOLUHCSZMCF-ZRCGQRJVSA-N 1 1 458.006 3.480 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164799532 721560762 /nfs/dbraw/zinc/56/07/62/721560762.db2.gz CHTSOLUHCSZMCF-ZRCGQRJVSA-N 1 1 458.006 3.480 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164803952 721561273 /nfs/dbraw/zinc/56/12/73/721561273.db2.gz JZIBOLNRDKYNLE-ABSDTBQOSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164803952 721561275 /nfs/dbraw/zinc/56/12/75/721561275.db2.gz JZIBOLNRDKYNLE-ABSDTBQOSA-N 1 1 466.916 3.330 20 0 JGADMO Cc1cc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc(N3CCOCC3)c2s1 ZINC001164804014 721563139 /nfs/dbraw/zinc/56/31/39/721563139.db2.gz KRCKQAGJKVKYJL-FKBYEOEOSA-N 1 1 480.638 3.100 20 0 JGADMO Cc1cc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc(N3CCOCC3)c2s1 ZINC001164804014 721563142 /nfs/dbraw/zinc/56/31/42/721563142.db2.gz KRCKQAGJKVKYJL-FKBYEOEOSA-N 1 1 480.638 3.100 20 0 JGADMO COC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)[nH]c(Cl)cc-2n1 ZINC001164801713 721568008 /nfs/dbraw/zinc/56/80/08/721568008.db2.gz HCIZQEHOXHTYNX-IRFCIJBXSA-N 1 1 455.946 3.266 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806757 721568984 /nfs/dbraw/zinc/56/89/84/721568984.db2.gz RQPXQGSSQMIJFZ-FSSWDIPSSA-N 1 1 481.597 3.116 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806757 721568987 /nfs/dbraw/zinc/56/89/87/721568987.db2.gz RQPXQGSSQMIJFZ-FSSWDIPSSA-N 1 1 481.597 3.116 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905730 721584047 /nfs/dbraw/zinc/58/40/47/721584047.db2.gz VQGSGKIRTWXJFP-HXUWFJFHSA-N 1 1 451.905 3.439 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c(OC)c1 ZINC001164806183 721584360 /nfs/dbraw/zinc/58/43/60/721584360.db2.gz MEBWOEGJBXMVCA-JCYRPKCISA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)c(OC)c1 ZINC001164806183 721584363 /nfs/dbraw/zinc/58/43/63/721584363.db2.gz MEBWOEGJBXMVCA-JCYRPKCISA-N 1 1 461.566 3.424 20 0 JGADMO c1cnn(C[C@H]2CC[C@@]3(COCCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164808222 721607514 /nfs/dbraw/zinc/60/75/14/721607514.db2.gz XFBVMZWOEGVLMQ-SHQCIBLASA-N 1 1 459.594 3.291 20 0 JGADMO FC1(F)CCN(c2nc(Cl)ncc2N2CCOCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906245 721706690 /nfs/dbraw/zinc/70/66/90/721706690.db2.gz LLNJFHVJHYNFPV-OAQYLSRUSA-N 1 1 464.948 3.099 20 0 JGADMO O=c1ccccn1Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164911830 721727885 /nfs/dbraw/zinc/72/78/85/721727885.db2.gz KVNQLPDYBQNPOV-DEOSSOPVSA-N 1 1 451.521 3.424 20 0 JGADMO O=C(NC1CCCC1)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913884 721730635 /nfs/dbraw/zinc/73/06/35/721730635.db2.gz ZGCVPJHNUTYMRJ-QHCPKHFHSA-N 1 1 456.541 3.282 20 0 JGADMO O=S(=O)(c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCCCC1 ZINC001164913803 721730811 /nfs/dbraw/zinc/73/08/11/721730811.db2.gz XXCNRHIEOGNBIO-QHCPKHFHSA-N 1 1 491.608 3.389 20 0 JGADMO O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001165012706 721753651 /nfs/dbraw/zinc/75/36/51/721753651.db2.gz GTHDTCFPTPPUGB-XPWALMASSA-N 1 1 484.044 3.316 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1N1CCOCC1)C2 ZINC001164909517 721754978 /nfs/dbraw/zinc/75/49/78/721754978.db2.gz GJKQFTJROHEFOG-UHFFFAOYSA-N 1 1 454.962 3.149 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1N1CCOCC1)C2 ZINC001164909517 721754988 /nfs/dbraw/zinc/75/49/88/721754988.db2.gz GJKQFTJROHEFOG-UHFFFAOYSA-N 1 1 454.962 3.149 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)C2 ZINC001164909606 721758685 /nfs/dbraw/zinc/75/86/85/721758685.db2.gz JPIDIPWNFAAZEG-UHFFFAOYSA-N 1 1 497.955 3.110 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)C2 ZINC001164909606 721758692 /nfs/dbraw/zinc/75/86/92/721758692.db2.gz JPIDIPWNFAAZEG-UHFFFAOYSA-N 1 1 497.955 3.110 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)cc2C1 ZINC001164911793 721760744 /nfs/dbraw/zinc/76/07/44/721760744.db2.gz RZPPHFNJXOYOIG-UHFFFAOYSA-N 1 1 462.554 3.174 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)cc2C1 ZINC001164911793 721760745 /nfs/dbraw/zinc/76/07/45/721760745.db2.gz RZPPHFNJXOYOIG-UHFFFAOYSA-N 1 1 462.554 3.174 20 0 JGADMO c1cnn(CCCO[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001165024708 721780309 /nfs/dbraw/zinc/78/03/09/721780309.db2.gz YRYBBVNZDSOKAB-ZNZIZOMTSA-N 1 1 474.609 3.075 20 0 JGADMO c1cnn(CCCO[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001165024708 721780316 /nfs/dbraw/zinc/78/03/16/721780316.db2.gz YRYBBVNZDSOKAB-ZNZIZOMTSA-N 1 1 474.609 3.075 20 0 JGADMO C[C@@H]1CCc2c(sc3ncnc(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c23)C1 ZINC001164916988 721781840 /nfs/dbraw/zinc/78/18/40/721781840.db2.gz UTGDDELGDORNDZ-CJAUYULYSA-N 1 1 465.623 3.319 20 0 JGADMO C[C@@H]1CCc2c(sc3ncnc(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c23)C1 ZINC001164916988 721781843 /nfs/dbraw/zinc/78/18/43/721781843.db2.gz UTGDDELGDORNDZ-CJAUYULYSA-N 1 1 465.623 3.319 20 0 JGADMO Clc1cccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164917585 721782447 /nfs/dbraw/zinc/78/24/47/721782447.db2.gz YFEIKGZAEYTNKW-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164917585 721782448 /nfs/dbraw/zinc/78/24/48/721782448.db2.gz YFEIKGZAEYTNKW-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(-c2ccccc2)nn1 ZINC001164915638 721783477 /nfs/dbraw/zinc/78/34/77/721783477.db2.gz MHYFSBJZYADOKN-XMMPIXPASA-N 1 1 451.958 3.300 20 0 JGADMO Clc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(-c2ccccc2)nn1 ZINC001164915638 721783479 /nfs/dbraw/zinc/78/34/79/721783479.db2.gz MHYFSBJZYADOKN-XMMPIXPASA-N 1 1 451.958 3.300 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164914330 721800126 /nfs/dbraw/zinc/80/01/26/721800126.db2.gz LXIBEEOEOCHHDM-AHWVRZQESA-N 1 1 451.615 3.131 20 0 JGADMO Clc1ccc2c(Cl)ncnc2c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913711 721801568 /nfs/dbraw/zinc/80/15/68/721801568.db2.gz GHHZVGBYRGTRJK-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2c(Cl)ncnc2c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913711 721801569 /nfs/dbraw/zinc/80/15/69/721801569.db2.gz GHHZVGBYRGTRJK-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(S(N)(=O)=O)cnc3Cl)C[C@@H]21 ZINC001165023594 721820823 /nfs/dbraw/zinc/82/08/23/721820823.db2.gz IHGYWMOZYACVNA-DKSSEZFCSA-N 1 1 485.988 3.059 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@@H]21 ZINC001165021480 721823185 /nfs/dbraw/zinc/82/31/85/721823185.db2.gz FUFXNEWKZDYECF-AKIFATBCSA-N 1 1 462.646 3.204 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@H]21 ZINC001165018859 721825551 /nfs/dbraw/zinc/82/55/51/721825551.db2.gz AKRWKEMWZWDERB-KSEOMHKRSA-N 1 1 462.598 3.044 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164934626 721878936 /nfs/dbraw/zinc/87/89/36/721878936.db2.gz STIOTMNRXAKANL-UXHICEINSA-N 1 1 454.688 3.381 20 0 JGADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164934626 721878938 /nfs/dbraw/zinc/87/89/38/721878938.db2.gz STIOTMNRXAKANL-UXHICEINSA-N 1 1 454.688 3.381 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164930881 721878982 /nfs/dbraw/zinc/87/89/82/721878982.db2.gz DGJXLXSJDAXKNK-PKTZIBPZSA-N 1 1 492.693 3.405 20 0 JGADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164930881 721878984 /nfs/dbraw/zinc/87/89/84/721878984.db2.gz DGJXLXSJDAXKNK-PKTZIBPZSA-N 1 1 492.693 3.405 20 0 JGADMO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)C3)co1 ZINC001164929748 721901268 /nfs/dbraw/zinc/90/12/68/721901268.db2.gz DVFJEUGUGVOYTG-MOPGFXCFSA-N 1 1 465.623 3.316 20 0 JGADMO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nn2)CC1 ZINC001164939517 721928297 /nfs/dbraw/zinc/92/82/97/721928297.db2.gz LWFWCRAFFHWSBC-UHFFFAOYSA-N 1 1 493.652 3.436 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)CC3)C2)cc1 ZINC001164940761 721933729 /nfs/dbraw/zinc/93/37/29/721933729.db2.gz DNLUJSQJYKVQFG-HXUWFJFHSA-N 1 1 458.990 3.478 20 0 JGADMO C[NH+]1CCN(Cc2cc3nc(N4CCCC[C@@H]4c4cccnc4)nc(N4CCOCC4)c3s2)CC1 ZINC001165046000 721963470 /nfs/dbraw/zinc/96/34/70/721963470.db2.gz GJTZIMIMRVUVSJ-HSZRJFAPSA-N 1 1 493.681 3.402 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1C ZINC001164942940 721968942 /nfs/dbraw/zinc/96/89/42/721968942.db2.gz DRBNVKVDCMEZCM-UHFFFAOYSA-N 1 1 479.606 3.147 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1C ZINC001164942940 721968944 /nfs/dbraw/zinc/96/89/44/721968944.db2.gz DRBNVKVDCMEZCM-UHFFFAOYSA-N 1 1 479.606 3.147 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@H]5CN(S(C)(=O)=O)C[C@H]54)c23)C1 ZINC001164953910 721985060 /nfs/dbraw/zinc/98/50/60/721985060.db2.gz SMTUCNMFXWZICR-ZIFCJYIRSA-N 1 1 489.711 3.272 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@@H]5CN(S(C)(=O)=O)C[C@@H]53)n2)CCC4)CC1 ZINC001164952839 721985142 /nfs/dbraw/zinc/98/51/42/721985142.db2.gz PSYCUMGTYSPARK-MJGOQNOKSA-N 1 1 489.711 3.272 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)[C@H]2C1 ZINC001164951362 721985162 /nfs/dbraw/zinc/98/51/62/721985162.db2.gz YSJRSFKLYGGDJQ-AEFFLSMTSA-N 1 1 475.684 3.026 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@@H]32)n1 ZINC001164948146 721985182 /nfs/dbraw/zinc/98/51/82/721985182.db2.gz DVMAOKNAZRTFLP-IRXDYDNUSA-N 1 1 451.662 3.010 20 0 JGADMO CC(C)(C)OC(=O)[C@@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)C1 ZINC001165051296 721993300 /nfs/dbraw/zinc/99/33/00/721993300.db2.gz GVZVYMJHMIHNDV-RBUKOAKNSA-N 1 1 474.646 3.439 20 0 JGADMO CC(C)(C)OC(=O)[C@@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)C1 ZINC001165051296 721993304 /nfs/dbraw/zinc/99/33/04/721993304.db2.gz GVZVYMJHMIHNDV-RBUKOAKNSA-N 1 1 474.646 3.439 20 0 JGADMO O=C1COC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)CN1Cc1cccnc1 ZINC001164953797 722002664 /nfs/dbraw/zinc/00/26/64/722002664.db2.gz ZIPMSEHVINQZTJ-UHFFFAOYSA-N 1 1 455.990 3.124 20 0 JGADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)C1 ZINC001164955675 722022098 /nfs/dbraw/zinc/02/20/98/722022098.db2.gz MUOKKZGEKNSXAQ-JOCHJYFZSA-N 1 1 464.614 3.144 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164956054 722022448 /nfs/dbraw/zinc/02/24/48/722022448.db2.gz VLOCKHSCUQVASI-UHFFFAOYSA-N 1 1 457.644 3.436 20 0 JGADMO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164960609 722028722 /nfs/dbraw/zinc/02/87/22/722028722.db2.gz LIRBWXWZGHTHJB-WXFUMESZSA-N 1 1 461.541 3.384 20 0 JGADMO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164960609 722028723 /nfs/dbraw/zinc/02/87/23/722028723.db2.gz LIRBWXWZGHTHJB-WXFUMESZSA-N 1 1 461.541 3.384 20 0 JGADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962212 722056274 /nfs/dbraw/zinc/05/62/74/722056274.db2.gz BFKUMWUQNCOMFY-UHFFFAOYSA-N 1 1 492.624 3.492 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963875 722057500 /nfs/dbraw/zinc/05/75/00/722057500.db2.gz PHMKDHFRGJSCSJ-UHFFFAOYSA-N 1 1 480.396 3.474 20 0 JGADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960029 722058483 /nfs/dbraw/zinc/05/84/83/722058483.db2.gz DGQUIBGNAGIPES-UHFFFAOYSA-N 1 1 467.614 3.073 20 0 JGADMO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963269 722058943 /nfs/dbraw/zinc/05/89/43/722058943.db2.gz UZBBNOSRNMVWTQ-UHFFFAOYSA-N 1 1 453.921 3.198 20 0 JGADMO CC1CCN(C(=O)c2cccnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CC1 ZINC001164963476 722059810 /nfs/dbraw/zinc/05/98/10/722059810.db2.gz ZQBHUUVRHGPYDS-UHFFFAOYSA-N 1 1 463.626 3.468 20 0 JGADMO FC(F)(COc1cncc(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959973 722060534 /nfs/dbraw/zinc/06/05/34/722060534.db2.gz BCUOBLFKIFDAON-UHFFFAOYSA-N 1 1 453.921 3.111 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C2)nc1 ZINC001164977669 722088590 /nfs/dbraw/zinc/08/85/90/722088590.db2.gz XMWWKNLGHRSIGP-GJZUVCINSA-N 1 1 455.647 3.362 20 0 JGADMO c1cnn(Cc2nnc3n2CCCN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)c1 ZINC001164974952 722089132 /nfs/dbraw/zinc/08/91/32/722089132.db2.gz OREJKKCTPLVPBB-UHFFFAOYSA-N 1 1 489.653 3.413 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2c2ccccc21 ZINC001164972360 722089814 /nfs/dbraw/zinc/08/98/14/722089814.db2.gz GIVUIGQKSGCDFB-OFNKIYASSA-N 1 1 475.618 3.035 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2c2ccccc21 ZINC001164972360 722089815 /nfs/dbraw/zinc/08/98/15/722089815.db2.gz GIVUIGQKSGCDFB-OFNKIYASSA-N 1 1 475.618 3.035 20 0 JGADMO CS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2c2ccccc21 ZINC001164972361 722089846 /nfs/dbraw/zinc/08/98/46/722089846.db2.gz GIVUIGQKSGCDFB-REWPJTCUSA-N 1 1 475.618 3.035 20 0 JGADMO CS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2c2ccccc21 ZINC001164972361 722089847 /nfs/dbraw/zinc/08/98/47/722089847.db2.gz GIVUIGQKSGCDFB-REWPJTCUSA-N 1 1 475.618 3.035 20 0 JGADMO CS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2c2ccccc21 ZINC001164972359 722089849 /nfs/dbraw/zinc/08/98/49/722089849.db2.gz GIVUIGQKSGCDFB-NZQKXSOJSA-N 1 1 475.618 3.035 20 0 JGADMO CS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2c2ccccc21 ZINC001164972359 722089850 /nfs/dbraw/zinc/08/98/50/722089850.db2.gz GIVUIGQKSGCDFB-NZQKXSOJSA-N 1 1 475.618 3.035 20 0 JGADMO Cn1cc(N2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2=O)cn1 ZINC001164978719 722095480 /nfs/dbraw/zinc/09/54/80/722095480.db2.gz JDWAXCBPDDUSGK-YLJYHZDGSA-N 1 1 491.665 3.389 20 0 JGADMO Cn1cc(N2C[C@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]3C2=O)cn1 ZINC001164984443 722095925 /nfs/dbraw/zinc/09/59/25/722095925.db2.gz WDRTWZQTNSTYIO-MJGOQNOKSA-N 1 1 473.606 3.253 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164983498 722099882 /nfs/dbraw/zinc/09/98/82/722099882.db2.gz QMDXMSCYGMIQJT-RTBURBONSA-N 1 1 467.595 3.299 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981400 722107535 /nfs/dbraw/zinc/10/75/35/722107535.db2.gz LHMDIOMIODMGPP-WMZOPIPTSA-N 1 1 466.916 3.189 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164974911 722110168 /nfs/dbraw/zinc/11/01/68/722110168.db2.gz IVLYOWXKKPPIKS-JTSKRJEESA-N 1 1 469.973 3.423 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983151 722113423 /nfs/dbraw/zinc/11/34/23/722113423.db2.gz YKAQGVYVQJBOAW-FUHWJXTLSA-N 1 1 466.916 3.189 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164980493 722120399 /nfs/dbraw/zinc/12/03/99/722120399.db2.gz RIVKTACOWVBEAT-VGOFRKELSA-N 1 1 469.973 3.423 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164980492 722120766 /nfs/dbraw/zinc/12/07/66/722120766.db2.gz RIVKTACOWVBEAT-JTSKRJEESA-N 1 1 469.973 3.423 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980402 722127390 /nfs/dbraw/zinc/12/73/90/722127390.db2.gz QZDAANSHFXQZNL-NZQKXSOJSA-N 1 1 463.582 3.479 20 0 JGADMO O=C(c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)N1CCc2ccccc21 ZINC001164978075 722139674 /nfs/dbraw/zinc/13/96/74/722139674.db2.gz JOVVSQOXFCFODX-BVAGGSTKSA-N 1 1 469.589 3.407 20 0 JGADMO COC(=O)c1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc2c1OC ZINC001164976005 722149022 /nfs/dbraw/zinc/14/90/22/722149022.db2.gz GFSMCYXVHUAWQX-KNQAVFIVSA-N 1 1 462.550 3.152 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971285 722158770 /nfs/dbraw/zinc/15/87/70/722158770.db2.gz BOXVVNDBWRHWCU-CVEARBPZSA-N 1 1 480.972 3.493 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)n1 ZINC001164991963 722188836 /nfs/dbraw/zinc/18/88/36/722188836.db2.gz UCAGXTBXIQHLFU-UHFFFAOYSA-N 1 1 496.681 3.005 20 0 JGADMO Cc1nc2sc3c(c2c(N2CCc4ncnc(N5CC[NH+](C)CC5)c4CC2)n1)CCCCC3 ZINC001165002347 722237483 /nfs/dbraw/zinc/23/74/83/722237483.db2.gz VAAHQMHAWVULQG-UHFFFAOYSA-N 1 1 463.655 3.416 20 0 JGADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001741 722237539 /nfs/dbraw/zinc/23/75/39/722237539.db2.gz LCUNAYGXSLSLBV-HXUWFJFHSA-N 1 1 472.641 3.156 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(F)ccc2-c2ccc(Cl)nn2)CC3)CC1 ZINC001165001243 722238610 /nfs/dbraw/zinc/23/86/10/722238610.db2.gz FNFAIYJLAKKLGV-UHFFFAOYSA-N 1 1 453.953 3.083 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cnc(Cl)nc2Oc2ccccc2F)CC3)CC1 ZINC001165001878 722239766 /nfs/dbraw/zinc/23/97/66/722239766.db2.gz OEHXWPXOOZJTMG-UHFFFAOYSA-N 1 1 469.952 3.208 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC001165001378 722247210 /nfs/dbraw/zinc/24/72/10/722247210.db2.gz PKFMEAOVTVAXBJ-RUZDIDTESA-N 1 1 497.669 3.052 20 0 JGADMO COc1cc2cc[nH+]c(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2cc1OC ZINC001165008281 722265109 /nfs/dbraw/zinc/26/51/09/722265109.db2.gz WMYWEUGKBUWQOP-RUZDIDTESA-N 1 1 450.514 3.319 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305794164 1069311478 /nfs/dbraw/zinc/31/14/78/1069311478.db2.gz INYNCJPEWMYCNA-REWPJTCUSA-N 1 1 468.646 3.425 20 0 JGADMO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1)c1ccccc1 ZINC001305802794 1069326605 /nfs/dbraw/zinc/32/66/05/1069326605.db2.gz IMTKDFLTJCXUDH-GGAORHGYSA-N 1 1 468.646 3.255 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCC[NH+]1CCOCC1 ZINC001305803017 1069327174 /nfs/dbraw/zinc/32/71/74/1069327174.db2.gz XQMJGVFBIZZUFR-HDICACEKSA-N 1 1 470.609 3.036 20 0 JGADMO CC[C@@H](Cn1c(C(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305804014 1069328589 /nfs/dbraw/zinc/32/85/89/1069328589.db2.gz FDILBHSCTBPHOM-MOPGFXCFSA-N 1 1 464.655 3.394 20 0 JGADMO CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC001305804643 1069329850 /nfs/dbraw/zinc/32/98/50/1069329850.db2.gz HWXDTEYPFJXDJL-PZJWPPBQSA-N 1 1 463.586 3.061 20 0 JGADMO CC[C@@H](Cn1c(C(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC001305806972 1069335642 /nfs/dbraw/zinc/33/56/42/1069335642.db2.gz RCWCZFDKPBPRQV-QFIPXVFZSA-N 1 1 488.702 3.099 20 0 JGADMO CC[C@@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001305807729 1069336104 /nfs/dbraw/zinc/33/61/04/1069336104.db2.gz SLXABOXRNIIROT-UAFMIMERSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)Oc1ccccc1F ZINC001305809049 1069338878 /nfs/dbraw/zinc/33/88/78/1069338878.db2.gz XQSYTNCGTAKTHQ-CTNGQTDRSA-N 1 1 472.609 3.141 20 0 JGADMO CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001305810002 1069340013 /nfs/dbraw/zinc/34/00/13/1069340013.db2.gz OAIKDRMZCJWVOV-IRFCIJBXSA-N 1 1 461.582 3.141 20 0 JGADMO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)OC ZINC001305811772 1069342260 /nfs/dbraw/zinc/34/22/60/1069342260.db2.gz RUBQBWZRGVZCQO-HLLBOEOZSA-N 1 1 453.429 3.390 20 0 JGADMO CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305818941 1069354068 /nfs/dbraw/zinc/35/40/68/1069354068.db2.gz FDXKOYNUROVGBN-SVFBPWRDSA-N 1 1 487.649 3.189 20 0 JGADMO CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305818941 1069354079 /nfs/dbraw/zinc/35/40/79/1069354079.db2.gz FDXKOYNUROVGBN-SVFBPWRDSA-N 1 1 487.649 3.189 20 0 JGADMO CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305821297 1069357355 /nfs/dbraw/zinc/35/73/55/1069357355.db2.gz MZRASUHJCIKJFQ-HXUWFJFHSA-N 1 1 487.649 3.190 20 0 JGADMO CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305821297 1069357361 /nfs/dbraw/zinc/35/73/61/1069357361.db2.gz MZRASUHJCIKJFQ-HXUWFJFHSA-N 1 1 487.649 3.190 20 0 JGADMO CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCOC)CC1)Oc1ccccc1F ZINC001305822234 1069357878 /nfs/dbraw/zinc/35/78/78/1069357878.db2.gz XHDYAMFYNKHCQT-LJQANCHMSA-N 1 1 456.566 3.049 20 0 JGADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305832727 1069373260 /nfs/dbraw/zinc/37/32/60/1069373260.db2.gz AQKVNUSJJZKMHC-CLOONOSVSA-N 1 1 478.682 3.471 20 0 JGADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305832733 1069373419 /nfs/dbraw/zinc/37/34/19/1069373419.db2.gz AQKVNUSJJZKMHC-KBMIEXCESA-N 1 1 478.682 3.471 20 0 JGADMO CC[C@@H](Cn1c(C2CCC2)nnc1N1CC[NH+](CCOC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001305829776 1069371133 /nfs/dbraw/zinc/37/11/33/1069371133.db2.gz PXSGYYNLGTYMRY-FQEVSTJZSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305837615 1069380936 /nfs/dbraw/zinc/38/09/36/1069380936.db2.gz YOPGKGIHXMZDQI-VQTJNVASSA-N 1 1 494.681 3.022 20 0 JGADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305837615 1069380951 /nfs/dbraw/zinc/38/09/51/1069380951.db2.gz YOPGKGIHXMZDQI-VQTJNVASSA-N 1 1 494.681 3.022 20 0 JGADMO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1)OC ZINC001305839667 1069386080 /nfs/dbraw/zinc/38/60/80/1069386080.db2.gz ZOMHEBGIPGTYNJ-FCHUYYIVSA-N 1 1 461.054 3.164 20 0 JGADMO CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)OC ZINC001305841074 1069389063 /nfs/dbraw/zinc/38/90/63/1069389063.db2.gz HHAUOFIOZRQSFL-QHCPKHFHSA-N 1 1 464.614 3.328 20 0 JGADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305842300 1069391599 /nfs/dbraw/zinc/39/15/99/1069391599.db2.gz OSLCCVXSLYCXGU-SFHLNBCPSA-N 1 1 471.650 3.486 20 0 JGADMO CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001305848282 1069398714 /nfs/dbraw/zinc/39/87/14/1069398714.db2.gz XTXJFTPSMWSXBI-PKTZIBPZSA-N 1 1 498.672 3.278 20 0 JGADMO CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001305848282 1069398727 /nfs/dbraw/zinc/39/87/27/1069398727.db2.gz XTXJFTPSMWSXBI-PKTZIBPZSA-N 1 1 498.672 3.278 20 0 JGADMO CC[C@@H](Cn1c(N2CCCN(C(C)=O)CC2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001305849315 1069401060 /nfs/dbraw/zinc/40/10/60/1069401060.db2.gz FUDKLWOSYUVQAZ-QHCPKHFHSA-N 1 1 452.647 3.471 20 0 JGADMO CC[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001305866573 1069422826 /nfs/dbraw/zinc/42/28/26/1069422826.db2.gz SYLHLUUQMCTAGX-HSZRJFAPSA-N 1 1 489.462 3.498 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305864636 1069421116 /nfs/dbraw/zinc/42/11/16/1069421116.db2.gz NMGAXNFEMFGZTC-NQHRYMMQSA-N 1 1 463.667 3.302 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305864631 1069421138 /nfs/dbraw/zinc/42/11/38/1069421138.db2.gz NMGAXNFEMFGZTC-GPUOULLFSA-N 1 1 463.667 3.302 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001305881182 1069434227 /nfs/dbraw/zinc/43/42/27/1069434227.db2.gz JRSNUBCJEKWQOD-KCWPFWIISA-N 1 1 498.672 3.389 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001305893686 1069451087 /nfs/dbraw/zinc/45/10/87/1069451087.db2.gz OFIRSBOYIKCEQH-BWKNWUBXSA-N 1 1 463.667 3.304 20 0 JGADMO CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[NH+](CCOC)CC2)CCOCC1 ZINC001305899372 1069456996 /nfs/dbraw/zinc/45/69/96/1069456996.db2.gz DERKDYHUHZLTOG-UHFFFAOYSA-N 1 1 495.466 3.021 20 0 JGADMO CCc1ccc([C@@H](Cn2c(N(CC)[C@H]3CCS(=O)(=O)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001305917558 1069472549 /nfs/dbraw/zinc/47/25/49/1069472549.db2.gz ALHYIBNAEOUITC-LEWJYISDSA-N 1 1 461.676 3.454 20 0 JGADMO CCc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305918836 1069474213 /nfs/dbraw/zinc/47/42/13/1069474213.db2.gz NZFLFSAOEPXGIY-LEWJYISDSA-N 1 1 461.676 3.355 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](CC)C2)[NH+](C)C)cc1 ZINC001305919248 1069474702 /nfs/dbraw/zinc/47/47/02/1069474702.db2.gz OBJRSTXXHXNDJB-FCEUIQTBSA-N 1 1 459.660 3.282 20 0 JGADMO CCc1ccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305920815 1069476846 /nfs/dbraw/zinc/47/68/46/1069476846.db2.gz URHZJMONJHYBHN-XZOQPEGZSA-N 1 1 473.687 3.499 20 0 JGADMO CN(CC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298230125 1064138682 /nfs/dbraw/zinc/13/86/82/1064138682.db2.gz LJLRCTXDAMBFLX-YADHBBJMSA-N 1 1 473.687 3.227 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1CCCc1cnn(C)c1 ZINC001298235559 1064141477 /nfs/dbraw/zinc/14/14/77/1064141477.db2.gz IQJYAMXHMBIBGJ-UHFFFAOYSA-N 1 1 469.609 3.245 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CC(F)(F)Br ZINC001298236361 1064142204 /nfs/dbraw/zinc/14/22/04/1064142204.db2.gz SKUHCEZVWMLCBP-UHFFFAOYSA-N 1 1 452.388 3.358 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CCCO1 ZINC001298238939 1064142801 /nfs/dbraw/zinc/14/28/01/1064142801.db2.gz CBZBDDCKKMTQBZ-VWLOTQADSA-N 1 1 475.609 3.360 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CCCOC(F)(F)F ZINC001298238853 1064142808 /nfs/dbraw/zinc/14/28/08/1064142808.db2.gz BFPROVHHJVGPEW-KRWDZBQOSA-N 1 1 463.545 3.241 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CCc1ccc2c(c1)OCCO2 ZINC001298236611 1064142834 /nfs/dbraw/zinc/14/28/34/1064142834.db2.gz YPFLITJXUDKABR-UHFFFAOYSA-N 1 1 471.646 3.384 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccsc1 ZINC001298238950 1064143503 /nfs/dbraw/zinc/14/35/03/1064143503.db2.gz CGEBLGNTARAXGI-GBXCKJPGSA-N 1 1 477.675 3.284 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)ccc1F ZINC001298239537 1064144067 /nfs/dbraw/zinc/14/40/67/1064144067.db2.gz IKGBNRZUWXXELH-GOSISDBHSA-N 1 1 463.573 3.293 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001298240528 1064146023 /nfs/dbraw/zinc/14/60/23/1064146023.db2.gz SJZNGGVICPRWHY-RBBKRZOGSA-N 1 1 489.636 3.342 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@H](O)C1 ZINC001298240530 1064146145 /nfs/dbraw/zinc/14/61/45/1064146145.db2.gz SJZNGGVICPRWHY-UNMCSNQZSA-N 1 1 489.636 3.342 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298244338 1064148386 /nfs/dbraw/zinc/14/83/86/1064148386.db2.gz FHBNQJHKKMLSJX-UHFFFAOYSA-N 1 1 463.508 3.240 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001298244338 1064148390 /nfs/dbraw/zinc/14/83/90/1064148390.db2.gz FHBNQJHKKMLSJX-UHFFFAOYSA-N 1 1 463.508 3.240 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298252346 1064151664 /nfs/dbraw/zinc/15/16/64/1064151664.db2.gz PMMOBAGLAZGJCM-INIZCTEOSA-N 1 1 490.571 3.459 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001298252346 1064151671 /nfs/dbraw/zinc/15/16/71/1064151671.db2.gz PMMOBAGLAZGJCM-INIZCTEOSA-N 1 1 490.571 3.459 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298261412 1064156798 /nfs/dbraw/zinc/15/67/98/1064156798.db2.gz HTKWNCAMVMSYMY-FUHWJXTLSA-N 1 1 484.464 3.437 20 0 JGADMO CN(Cc1cc(Cl)ccn1)c1nnc(C(C)(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001298262820 1064157837 /nfs/dbraw/zinc/15/78/37/1064157837.db2.gz UDDPDDDOYAVGAQ-QFIPXVFZSA-N 1 1 465.067 3.468 20 0 JGADMO CN(Cc1ccc(Cl)s1)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCSCC1 ZINC001298294260 1064179095 /nfs/dbraw/zinc/17/90/95/1064179095.db2.gz SISBEPBOXOJVGZ-UHFFFAOYSA-N 1 1 478.047 3.326 20 0 JGADMO CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298304072 1064184481 /nfs/dbraw/zinc/18/44/81/1064184481.db2.gz ULCMSYSPDGKBDL-QGZVFWFLSA-N 1 1 459.957 3.011 20 0 JGADMO CN(Cc1ccc(F)cc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298311661 1064187952 /nfs/dbraw/zinc/18/79/52/1064187952.db2.gz DDGBUYMAZBZBJM-NRFANRHFSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1cccc(Br)c1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298326294 1064202467 /nfs/dbraw/zinc/20/24/67/1064202467.db2.gz WORSCOWDKSFNSI-UHFFFAOYSA-N 1 1 488.434 3.188 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298328942 1064204047 /nfs/dbraw/zinc/20/40/47/1064204047.db2.gz PYSMYVGYCKAIQE-QUCCMNQESA-N 1 1 467.536 3.284 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298328941 1064204183 /nfs/dbraw/zinc/20/41/83/1064204183.db2.gz PYSMYVGYCKAIQE-ICSRJNTNSA-N 1 1 467.536 3.284 20 0 JGADMO CN(Cc1cccc(OC(F)F)c1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298341296 1064210015 /nfs/dbraw/zinc/21/00/15/1064210015.db2.gz GQMUEHOBMGZHNB-GOSISDBHSA-N 1 1 465.545 3.131 20 0 JGADMO C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001298348883 1064212876 /nfs/dbraw/zinc/21/28/76/1064212876.db2.gz MHGIGJUIGRVVIM-RTGAMMJTSA-N 1 1 453.558 3.021 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)C1 ZINC001298350786 1064214354 /nfs/dbraw/zinc/21/43/54/1064214354.db2.gz LXVBJBPKJLWCGT-RTBURBONSA-N 1 1 485.576 3.233 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)C1 ZINC001298351056 1064214743 /nfs/dbraw/zinc/21/47/43/1064214743.db2.gz QNDVUFBOVGUZRX-LJQANCHMSA-N 1 1 480.535 3.038 20 0 JGADMO CN(Cc1ccccc1C(F)(F)F)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298354091 1064216426 /nfs/dbraw/zinc/21/64/26/1064216426.db2.gz MUIVQFYOVGODPG-UHFFFAOYSA-N 1 1 477.535 3.445 20 0 JGADMO CN(Cc1ccccc1Cl)c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298355357 1064217538 /nfs/dbraw/zinc/21/75/38/1064217538.db2.gz WYVIWBJHDGMTJV-LJQANCHMSA-N 1 1 455.994 3.262 20 0 JGADMO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC001298378617 1064226136 /nfs/dbraw/zinc/22/61/36/1064226136.db2.gz LWKULMREXVMRNH-AVRDEDQJSA-N 1 1 457.596 3.069 20 0 JGADMO O=C(CNC(=O)c1cccc(O)c1)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298395558 1064231663 /nfs/dbraw/zinc/23/16/63/1064231663.db2.gz LMHFVRIFHXGLLE-XMMPIXPASA-N 1 1 458.562 3.210 20 0 JGADMO C[C@H](Sc1nncn1C)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298396252 1064232267 /nfs/dbraw/zinc/23/22/67/1064232267.db2.gz OUACNHJGUYZGMM-SIKLNZKXSA-N 1 1 450.612 3.384 20 0 JGADMO C[C@@H](Sc1nncn1C)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298396051 1064232309 /nfs/dbraw/zinc/23/23/09/1064232309.db2.gz OUACNHJGUYZGMM-KNQAVFIVSA-N 1 1 450.612 3.384 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cnccn2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298400260 1064236041 /nfs/dbraw/zinc/23/60/41/1064236041.db2.gz RXVIGJBYYJBOSM-UHFFFAOYSA-N 1 1 477.539 3.388 20 0 JGADMO CN(Cc1cnccn1)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298406776 1064238198 /nfs/dbraw/zinc/23/81/98/1064238198.db2.gz KQNWYMOXVXQVDR-MRXNPFEDSA-N 1 1 492.447 3.042 20 0 JGADMO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1=O ZINC001298424153 1064246071 /nfs/dbraw/zinc/24/60/71/1064246071.db2.gz DWKYDIPRWAWQDS-YADARESESA-N 1 1 452.574 3.055 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1CC[N@H+]1CCc2sccc2C1 ZINC001298461811 1064262693 /nfs/dbraw/zinc/26/26/93/1064262693.db2.gz DHUFPTCHWIJZEU-UHFFFAOYSA-N 1 1 464.590 3.188 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001298463382 1064265383 /nfs/dbraw/zinc/26/53/83/1064265383.db2.gz WSZJZUOGKRJGJU-CRAIPNDOSA-N 1 1 494.978 3.231 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001298463384 1064265466 /nfs/dbraw/zinc/26/54/66/1064265466.db2.gz WSZJZUOGKRJGJU-QAPCUYQASA-N 1 1 494.978 3.231 20 0 JGADMO CN(CC1CC(F)C1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298487392 1064276498 /nfs/dbraw/zinc/27/64/98/1064276498.db2.gz NEHUGFPQANIOMX-DAWZGUTISA-N 1 1 451.537 3.178 20 0 JGADMO CN(C[C@@H]1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298564343 1064332367 /nfs/dbraw/zinc/33/23/67/1064332367.db2.gz IHOFCSBXJJSSBL-FQEVSTJZSA-N 1 1 476.666 3.351 20 0 JGADMO CN(C[C@H]1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298564344 1064332458 /nfs/dbraw/zinc/33/24/58/1064332458.db2.gz IHOFCSBXJJSSBL-HXUWFJFHSA-N 1 1 476.666 3.351 20 0 JGADMO CN(CC1CCN(c2nnc(C3CCC3)n2CCC[NH+]2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001298564332 1064332510 /nfs/dbraw/zinc/33/25/10/1064332510.db2.gz IATYEPASCIKBKX-UHFFFAOYSA-N 1 1 476.666 3.351 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCOC2)n1CCC(=O)NC(C)(C)C ZINC001298565347 1064335253 /nfs/dbraw/zinc/33/52/53/1064335253.db2.gz BPTMHMGSFWGMFT-FCHUYYIVSA-N 1 1 468.646 3.045 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298570766 1064345311 /nfs/dbraw/zinc/34/53/11/1064345311.db2.gz JTYSRTKGWUJWHH-INIZCTEOSA-N 1 1 496.425 3.430 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298591604 1064365050 /nfs/dbraw/zinc/36/50/50/1064365050.db2.gz HUVFTGVREUZYOL-FQEVSTJZSA-N 1 1 494.562 3.194 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001298595475 1064371144 /nfs/dbraw/zinc/37/11/44/1064371144.db2.gz GDVAYXQARKQGTK-ROUUACIJSA-N 1 1 450.509 3.282 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298600617 1064374989 /nfs/dbraw/zinc/37/49/89/1064374989.db2.gz ICMYPSVVQGKQMX-FQEVSTJZSA-N 1 1 494.562 3.080 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298605009 1064379033 /nfs/dbraw/zinc/37/90/33/1064379033.db2.gz UQCZFOJOQKLOPS-UHFFFAOYSA-N 1 1 472.588 3.248 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298605009 1064379057 /nfs/dbraw/zinc/37/90/57/1064379057.db2.gz UQCZFOJOQKLOPS-UHFFFAOYSA-N 1 1 472.588 3.248 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298605009 1064379069 /nfs/dbraw/zinc/37/90/69/1064379069.db2.gz UQCZFOJOQKLOPS-UHFFFAOYSA-N 1 1 472.588 3.248 20 0 JGADMO CN(CCc1ccccc1F)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CC=CCC1 ZINC001298619724 1064390480 /nfs/dbraw/zinc/39/04/80/1064390480.db2.gz XLTSLQCAYAKPOG-UHFFFAOYSA-N 1 1 468.602 3.350 20 0 JGADMO CN(CCc1nccs1)c1nnc(CC(C)(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001298637614 1064410800 /nfs/dbraw/zinc/41/08/00/1064410800.db2.gz KRQLFLVILMKZDX-QFIPXVFZSA-N 1 1 464.705 3.210 20 0 JGADMO CN(CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)CC(F)(F)F ZINC001298666811 1064445332 /nfs/dbraw/zinc/44/53/32/1064445332.db2.gz MHAAIIVECQJRTR-SFHVURJKSA-N 1 1 472.943 3.004 20 0 JGADMO CN(CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)CC(F)(F)F ZINC001298666811 1064445337 /nfs/dbraw/zinc/44/53/37/1064445337.db2.gz MHAAIIVECQJRTR-SFHVURJKSA-N 1 1 472.943 3.004 20 0 JGADMO C[N@@H+](CCCn1c(-c2cnccn2)nnc1N1CCC(O)(C(F)(F)F)CC1)Cc1ccccc1 ZINC001298669371 1064450049 /nfs/dbraw/zinc/45/00/49/1064450049.db2.gz NAYORDHTYBCJEB-UHFFFAOYSA-N 1 1 475.519 3.151 20 0 JGADMO C[C@@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)[N@@H+]1C ZINC001298676053 1064464487 /nfs/dbraw/zinc/46/44/87/1064464487.db2.gz CZZZVTREUQZEAO-HDICACEKSA-N 1 1 450.004 3.082 20 0 JGADMO C[C@@H]1CN(C(=O)Cc2ccc(I)c(Br)c2)C[C@H](C)[N@@H+]1C ZINC001298677061 1064466213 /nfs/dbraw/zinc/46/62/13/1064466213.db2.gz OEEJERLETBRTAF-PHIMTYICSA-N 1 1 451.146 3.147 20 0 JGADMO C[N@@H+](CCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298679003 1064469134 /nfs/dbraw/zinc/46/91/34/1064469134.db2.gz IRVTYFZJQOQJND-SANMLTNESA-N 1 1 454.663 3.399 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001298695818 1064494821 /nfs/dbraw/zinc/49/48/21/1064494821.db2.gz DSCBZIOCLLKXPR-NJDAHSKKSA-N 1 1 481.707 3.085 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001298695818 1064494833 /nfs/dbraw/zinc/49/48/33/1064494833.db2.gz DSCBZIOCLLKXPR-NJDAHSKKSA-N 1 1 481.707 3.085 20 0 JGADMO C[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CCCC1 ZINC001298697761 1064500461 /nfs/dbraw/zinc/50/04/61/1064500461.db2.gz IOHOAFMXQUOKHD-UHFFFAOYSA-N 1 1 466.051 3.486 20 0 JGADMO C[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1)C1CCCCC1 ZINC001298698379 1064501234 /nfs/dbraw/zinc/50/12/34/1064501234.db2.gz OTGUMKDDMBDIIZ-FQEVSTJZSA-N 1 1 469.634 3.441 20 0 JGADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)C3CCC3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001298699258 1064502931 /nfs/dbraw/zinc/50/29/31/1064502931.db2.gz XZXONRYRFPMTMB-UHFFFAOYSA-N 1 1 474.675 3.449 20 0 JGADMO CN(CCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)CC(F)(F)F ZINC001298704070 1064506563 /nfs/dbraw/zinc/50/65/63/1064506563.db2.gz BWKDXJKWGHEAKI-UHFFFAOYSA-N 1 1 479.526 3.239 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298704350 1064506864 /nfs/dbraw/zinc/50/68/64/1064506864.db2.gz OCXHBNAVKXGXGL-UHFFFAOYSA-N 1 1 482.608 3.174 20 0 JGADMO C[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC001298704467 1064507117 /nfs/dbraw/zinc/50/71/17/1064507117.db2.gz QWXIHVIRYIJEIV-UHFFFAOYSA-N 1 1 452.525 3.498 20 0 JGADMO CN(CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001298704644 1064508426 /nfs/dbraw/zinc/50/84/26/1064508426.db2.gz UFWGEQUVKHOLNP-JOCHJYFZSA-N 1 1 494.644 3.256 20 0 JGADMO CN(C)C(=O)CC1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001298704831 1064508939 /nfs/dbraw/zinc/50/89/39/1064508939.db2.gz YWQLHVHHJWEKCU-UHFFFAOYSA-N 1 1 479.604 3.306 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298705634 1064510840 /nfs/dbraw/zinc/51/08/40/1064510840.db2.gz IKFRJYDTQBGZRG-NLFFAJNJSA-N 1 1 472.609 3.142 20 0 JGADMO C[N@@H+](CCn1c(C2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)Cc1ccccc1 ZINC001298706759 1064512879 /nfs/dbraw/zinc/51/28/79/1064512879.db2.gz YWDZYGDGJHUVTG-UHFFFAOYSA-N 1 1 464.536 3.182 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001298707738 1064513310 /nfs/dbraw/zinc/51/33/10/1064513310.db2.gz DEJSTDFIVBIROM-UXHICEINSA-N 1 1 476.666 3.398 20 0 JGADMO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C1CCCCC1 ZINC001298712298 1064519662 /nfs/dbraw/zinc/51/96/62/1064519662.db2.gz ARRWQLBXXWYVNG-QHCPKHFHSA-N 1 1 451.681 3.146 20 0 JGADMO CN(CCn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001298712872 1064520662 /nfs/dbraw/zinc/52/06/62/1064520662.db2.gz SIHDCYHJSLPZKX-UHFFFAOYSA-N 1 1 487.574 3.470 20 0 JGADMO C[N@@H+](CCn1c(CCOc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCC1 ZINC001298717791 1064528955 /nfs/dbraw/zinc/52/89/55/1064528955.db2.gz RRGWRLJPVMIIOR-HSZRJFAPSA-N 1 1 489.686 3.178 20 0 JGADMO CN(CCn1cccn1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298721161 1064532434 /nfs/dbraw/zinc/53/24/34/1064532434.db2.gz WQRBSMYIGXHMEZ-NRFANRHFSA-N 1 1 499.063 3.315 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1Cc1c(F)cc(F)c(F)c1F ZINC001298727630 1064537228 /nfs/dbraw/zinc/53/72/28/1064537228.db2.gz IBUVLNFHVLZUOJ-UHFFFAOYSA-N 1 1 480.510 3.435 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1Cc1c(F)cc(F)c(F)c1F ZINC001298727630 1064537236 /nfs/dbraw/zinc/53/72/36/1064537236.db2.gz IBUVLNFHVLZUOJ-UHFFFAOYSA-N 1 1 480.510 3.435 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCO1 ZINC001298727486 1064537263 /nfs/dbraw/zinc/53/72/63/1064537263.db2.gz FHAFMXCEUBLKIO-HNNXBMFYSA-N 1 1 484.464 3.495 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCO1 ZINC001298727486 1064537280 /nfs/dbraw/zinc/53/72/80/1064537280.db2.gz FHAFMXCEUBLKIO-HNNXBMFYSA-N 1 1 484.464 3.495 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC1 ZINC001298728164 1064539132 /nfs/dbraw/zinc/53/91/32/1064539132.db2.gz NAIAXVMNOYNPSK-QGZVFWFLSA-N 1 1 478.435 3.291 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC1 ZINC001298728164 1064539150 /nfs/dbraw/zinc/53/91/50/1064539150.db2.gz NAIAXVMNOYNPSK-QGZVFWFLSA-N 1 1 478.435 3.291 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(Cl)c2)n1CCOCC(F)F ZINC001298728355 1064540819 /nfs/dbraw/zinc/54/08/19/1064540819.db2.gz RTOFFQGUDZKYEK-UHFFFAOYSA-N 1 1 457.953 3.427 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(Cl)c2)n1CCOCC(F)F ZINC001298728355 1064540837 /nfs/dbraw/zinc/54/08/37/1064540837.db2.gz RTOFFQGUDZKYEK-UHFFFAOYSA-N 1 1 457.953 3.427 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)cc2)n1CCC(C)(C)O ZINC001298728589 1064541687 /nfs/dbraw/zinc/54/16/87/1064541687.db2.gz XSNYMJIOLLWEKF-UHFFFAOYSA-N 1 1 480.451 3.416 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)cc2)n1CCC(C)(C)O ZINC001298728589 1064541703 /nfs/dbraw/zinc/54/17/03/1064541703.db2.gz XSNYMJIOLLWEKF-UHFFFAOYSA-N 1 1 480.451 3.416 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1CCc1ccccc1OC(F)F ZINC001298728812 1064542689 /nfs/dbraw/zinc/54/26/89/1064542689.db2.gz AYYRDEBLYCNGRS-IBGZPJMESA-N 1 1 479.572 3.173 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1CCc1ccccc1OC(F)F ZINC001298728812 1064542705 /nfs/dbraw/zinc/54/27/05/1064542705.db2.gz AYYRDEBLYCNGRS-IBGZPJMESA-N 1 1 479.572 3.173 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001298730309 1064544653 /nfs/dbraw/zinc/54/46/53/1064544653.db2.gz WFHHMJQCTIWRHB-UHFFFAOYSA-N 1 1 466.552 3.434 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001298730309 1064544667 /nfs/dbraw/zinc/54/46/67/1064544667.db2.gz WFHHMJQCTIWRHB-UHFFFAOYSA-N 1 1 466.552 3.434 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001298730393 1064545511 /nfs/dbraw/zinc/54/55/11/1064545511.db2.gz YPXZDLLVCPWNNF-CJFMBICVSA-N 1 1 463.667 3.050 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001298730393 1064545524 /nfs/dbraw/zinc/54/55/24/1064545524.db2.gz YPXZDLLVCPWNNF-CJFMBICVSA-N 1 1 463.667 3.050 20 0 JGADMO CN(CCN1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298737235 1064551908 /nfs/dbraw/zinc/55/19/08/1064551908.db2.gz AFZCQXFIBBWGBX-DEOSSOPVSA-N 1 1 468.690 3.200 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298747468 1064558895 /nfs/dbraw/zinc/55/88/95/1064558895.db2.gz CADXQPNVRKZOPU-QHCPKHFHSA-N 1 1 498.672 3.057 20 0 JGADMO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001298775525 1064580389 /nfs/dbraw/zinc/58/03/89/1064580389.db2.gz KULGYMAISGVEJH-GOSISDBHSA-N 1 1 470.643 3.183 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC2CC2)n1CCCOC(F)(F)F ZINC001298782018 1064585908 /nfs/dbraw/zinc/58/59/08/1064585908.db2.gz KHGOWMPCNNIFQG-FXAWDEMLSA-N 1 1 469.556 3.410 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[S@](=O)C(C)(C)C ZINC001298801849 1064599484 /nfs/dbraw/zinc/59/94/84/1064599484.db2.gz RJYRHBUVULEEES-ZQHDKMAOSA-N 1 1 497.507 3.268 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[S@](=O)C(C)(C)C ZINC001298801849 1064599499 /nfs/dbraw/zinc/59/94/99/1064599499.db2.gz RJYRHBUVULEEES-ZQHDKMAOSA-N 1 1 497.507 3.268 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2CC[S@](=O)C(C)(C)C)cn1 ZINC001298816962 1064618262 /nfs/dbraw/zinc/61/82/62/1064618262.db2.gz NXMSRWZGKQQBRA-UMSFTDKQSA-N 1 1 487.649 3.077 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2CC[S@](=O)C(C)(C)C)cn1 ZINC001298816962 1064618267 /nfs/dbraw/zinc/61/82/67/1064618267.db2.gz NXMSRWZGKQQBRA-UMSFTDKQSA-N 1 1 487.649 3.077 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(CC(C)(C)C)n3CCc3ccc(O)cc3)CC2)cn1 ZINC001298828657 1064633045 /nfs/dbraw/zinc/63/30/45/1064633045.db2.gz VDLGLVUZWUOZQU-UHFFFAOYSA-N 1 1 451.619 3.261 20 0 JGADMO Cc1cc(CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)cc(N2CCCC2)[nH+]1 ZINC001298839551 1064641135 /nfs/dbraw/zinc/64/11/35/1064641135.db2.gz IGVFKCAFYCNZAE-GOSISDBHSA-N 1 1 454.575 3.368 20 0 JGADMO Cn1ccc(Nc2nnc(-c3cccc(Br)c3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001298843588 1064646919 /nfs/dbraw/zinc/64/69/19/1064646919.db2.gz XIUDNEOTCGHZJV-SFHVURJKSA-N 1 1 474.407 3.422 20 0 JGADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC001298846699 1064650615 /nfs/dbraw/zinc/65/06/15/1064650615.db2.gz OWBFWRNGACECJS-GOSISDBHSA-N 1 1 459.388 3.178 20 0 JGADMO COc1cccc([C@@H]2[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847729 1064652122 /nfs/dbraw/zinc/65/21/22/1064652122.db2.gz WWFIJTUAGDORAH-UKILVPOCSA-N 1 1 450.583 3.123 20 0 JGADMO COc1cccc([C@@H]2[C@H](C(=O)N(C)CCC[N@@H+](C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847727 1064652140 /nfs/dbraw/zinc/65/21/40/1064652140.db2.gz WWFIJTUAGDORAH-ILBGXUMGSA-N 1 1 450.583 3.123 20 0 JGADMO Cn1cnnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001298868463 1064671780 /nfs/dbraw/zinc/67/17/80/1064671780.db2.gz DVFMWAQOXPWWCR-UHFFFAOYSA-N 1 1 491.413 3.334 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001298877531 1064682492 /nfs/dbraw/zinc/68/24/92/1064682492.db2.gz GTVQQAGFEOQQSA-JOCHJYFZSA-N 1 1 478.435 3.168 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001298877533 1064682614 /nfs/dbraw/zinc/68/26/14/1064682614.db2.gz GTVQQAGFEOQQSA-QFIPXVFZSA-N 1 1 478.435 3.168 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298879228 1064684122 /nfs/dbraw/zinc/68/41/22/1064684122.db2.gz NQDNISXOLYVHBT-HRAATJIYSA-N 1 1 454.402 3.324 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298881006 1064687005 /nfs/dbraw/zinc/68/70/05/1064687005.db2.gz BSFOMFGZWNPVGK-NRFANRHFSA-N 1 1 494.365 3.055 20 0 JGADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(OC)c1 ZINC001298885492 1064691272 /nfs/dbraw/zinc/69/12/72/1064691272.db2.gz GBUMZBLAMDYELQ-CDNPAEQRSA-N 1 1 451.567 3.088 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CCc2ccccc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001298885699 1064691937 /nfs/dbraw/zinc/69/19/37/1064691937.db2.gz AVLYSKVQGQFAMR-JOCHJYFZSA-N 1 1 473.687 3.197 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001298885749 1064692136 /nfs/dbraw/zinc/69/21/36/1064692136.db2.gz BSAJXEHQXHBQIQ-IBGZPJMESA-N 1 1 497.585 3.407 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001298885976 1064693016 /nfs/dbraw/zinc/69/30/16/1064693016.db2.gz CEZPBTKUNJTSKK-HKBOAZHASA-N 1 1 474.694 3.424 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298886813 1064695704 /nfs/dbraw/zinc/69/57/04/1064695704.db2.gz HNLGJYLFTRSGPT-LJQANCHMSA-N 1 1 465.689 3.064 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001298886751 1064695839 /nfs/dbraw/zinc/69/58/39/1064695839.db2.gz SFJIBIFMMNMQJN-PGRDOPGGSA-N 1 1 451.974 3.013 20 0 JGADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)CC2)cc1 ZINC001298887770 1064697410 /nfs/dbraw/zinc/69/74/10/1064697410.db2.gz NEDSQQNDJWSIPX-HYBUGGRVSA-N 1 1 455.624 3.175 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001298888294 1064697879 /nfs/dbraw/zinc/69/78/79/1064697879.db2.gz NUOMQKVWVKBYSX-PXNSSMCTSA-N 1 1 475.037 3.333 20 0 JGADMO C[C@@H]1[C@H](NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001298888249 1064697980 /nfs/dbraw/zinc/69/79/80/1064697980.db2.gz NZHRJHODLXPSEX-RQBNJVACSA-N 1 1 456.587 3.312 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001298889732 1064699297 /nfs/dbraw/zinc/69/92/97/1064699297.db2.gz VNAWDVSPWFFMDX-SFHVURJKSA-N 1 1 494.562 3.107 20 0 JGADMO C[C@H]1[C@H](NC(=O)COc2ccc(I)cc2)CC[N@H+]1Cc1ccccc1 ZINC001298890772 1064700855 /nfs/dbraw/zinc/70/08/55/1064700855.db2.gz YNKCOBSNGXSURN-HNAYVOBHSA-N 1 1 450.320 3.449 20 0 JGADMO C[N@H+]1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001298895705 1064702697 /nfs/dbraw/zinc/70/26/97/1064702697.db2.gz CRWHQKBCGOVHQH-LJQANCHMSA-N 1 1 476.069 3.271 20 0 JGADMO CN1CC[N@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001298895705 1064702710 /nfs/dbraw/zinc/70/27/10/1064702710.db2.gz CRWHQKBCGOVHQH-LJQANCHMSA-N 1 1 476.069 3.271 20 0 JGADMO CN1CC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001298895705 1064702721 /nfs/dbraw/zinc/70/27/21/1064702721.db2.gz CRWHQKBCGOVHQH-LJQANCHMSA-N 1 1 476.069 3.271 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001298922723 1064723264 /nfs/dbraw/zinc/72/32/64/1064723264.db2.gz XOWKQUAJBBTGCN-KXBFYZLASA-N 1 1 495.455 3.181 20 0 JGADMO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001298926538 1064726008 /nfs/dbraw/zinc/72/60/08/1064726008.db2.gz RDKGGHSLJXQUBI-HSZRJFAPSA-N 1 1 457.640 3.390 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001298942998 1064735330 /nfs/dbraw/zinc/73/53/30/1064735330.db2.gz LHRMQGPAOYJMII-UHFFFAOYSA-N 1 1 451.619 3.043 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001298981161 1064768232 /nfs/dbraw/zinc/76/82/32/1064768232.db2.gz CDKOYJOMJSZNHE-KRWDZBQOSA-N 1 1 487.073 3.460 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001299004841 1064786574 /nfs/dbraw/zinc/78/65/74/1064786574.db2.gz GVHFGNVYYXPIRM-OPAMFIHVSA-N 1 1 475.435 3.154 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)C(C)C)C1 ZINC001299008107 1064791917 /nfs/dbraw/zinc/79/19/17/1064791917.db2.gz WZVMICDUCRIIQS-OAQYLSRUSA-N 1 1 463.424 3.010 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001299008463 1064792809 /nfs/dbraw/zinc/79/28/09/1064792809.db2.gz ZZPRQSTZHDIMBD-NLFFAJNJSA-N 1 1 454.619 3.037 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299015488 1064798502 /nfs/dbraw/zinc/79/85/02/1064798502.db2.gz RLCFWZCCHMKZJQ-XDHUDOTRSA-N 1 1 474.053 3.466 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001299020001 1064803380 /nfs/dbraw/zinc/80/33/80/1064803380.db2.gz HRRSVWFPQABEQZ-SANMLTNESA-N 1 1 461.614 3.133 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001299028265 1064812378 /nfs/dbraw/zinc/81/23/78/1064812378.db2.gz JOCSTCYWJFXENJ-SQJMNOBHSA-N 1 1 482.032 3.183 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299028339 1064812460 /nfs/dbraw/zinc/81/24/60/1064812460.db2.gz KJLAJXJSBUDBGA-SIBVEZHUSA-N 1 1 470.637 3.481 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001299029951 1064816050 /nfs/dbraw/zinc/81/60/50/1064816050.db2.gz RLNIISDEBFMPOB-HHHXNRCGSA-N 1 1 482.673 3.495 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299034048 1064822843 /nfs/dbraw/zinc/82/28/43/1064822843.db2.gz QTSKVCKXVOEDHA-RUZDIDTESA-N 1 1 456.635 3.167 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001299037593 1064826524 /nfs/dbraw/zinc/82/65/24/1064826524.db2.gz FFPLVXPJQSZPRX-OAQYLSRUSA-N 1 1 495.672 3.165 20 0 JGADMO CNC(=O)c1cccc(CCn2c(-c3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001299050854 1064840835 /nfs/dbraw/zinc/84/08/35/1064840835.db2.gz HZQSXCIAOCLETH-UHFFFAOYSA-N 1 1 475.641 3.499 20 0 JGADMO CNC(=O)c1cccc(CCn2c(Cc3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001299052278 1064842971 /nfs/dbraw/zinc/84/29/71/1064842971.db2.gz GDFPRJDQMHIWNQ-UHFFFAOYSA-N 1 1 489.668 3.423 20 0 JGADMO CNC(=O)c1cccc(CCn2c(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)nnc2C(C)(C)C)c1 ZINC001299052660 1064843567 /nfs/dbraw/zinc/84/35/67/1064843567.db2.gz JHUWINKEHMPTKO-UHFFFAOYSA-N 1 1 495.716 3.173 20 0 JGADMO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)C2)n1 ZINC001299060896 1064854889 /nfs/dbraw/zinc/85/48/89/1064854889.db2.gz OBWOHDYSWAWMCI-LEWJYISDSA-N 1 1 484.693 3.341 20 0 JGADMO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)C2)n1 ZINC001299060899 1064854918 /nfs/dbraw/zinc/85/49/18/1064854918.db2.gz OBWOHDYSWAWMCI-SFTDATJTSA-N 1 1 484.693 3.341 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001299066830 1064862970 /nfs/dbraw/zinc/86/29/70/1064862970.db2.gz LZPYWFPJLDQBIY-CTNGQTDRSA-N 1 1 493.612 3.006 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001299070515 1064867804 /nfs/dbraw/zinc/86/78/04/1064867804.db2.gz IKCRMAWNMCWZKL-DLBZAZTESA-N 1 1 492.466 3.119 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001299070720 1064868404 /nfs/dbraw/zinc/86/84/04/1064868404.db2.gz ADJPYENAYVRCPG-IBGZPJMESA-N 1 1 487.446 3.240 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299091655 1064897279 /nfs/dbraw/zinc/89/72/79/1064897279.db2.gz WQOFJPFYLHGOJV-OFNKIYASSA-N 1 1 452.647 3.494 20 0 JGADMO CNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001299102449 1064911926 /nfs/dbraw/zinc/91/19/26/1064911926.db2.gz IZQDFWMZEHHFSU-SFHVURJKSA-N 1 1 473.021 3.296 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001299102911 1064912662 /nfs/dbraw/zinc/91/26/62/1064912662.db2.gz QTSVZXFHKPTEFF-INIZCTEOSA-N 1 1 492.466 3.263 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001299108296 1064915345 /nfs/dbraw/zinc/91/53/45/1064915345.db2.gz DAIQCQDVBZTDNM-HXUWFJFHSA-N 1 1 468.646 3.284 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001299118935 1064926417 /nfs/dbraw/zinc/92/64/17/1064926417.db2.gz RXKMACKMXGVYPX-UHFFFAOYSA-N 1 1 452.647 3.404 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299753009 1064953426 /nfs/dbraw/zinc/95/34/26/1064953426.db2.gz XUOKJOBWNUWFTM-HHHXNRCGSA-N 1 1 482.673 3.412 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001299767490 1064964506 /nfs/dbraw/zinc/96/45/06/1064964506.db2.gz NHECOFUJSZWPEW-RCZVLFRGSA-N 1 1 456.635 3.016 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299768190 1064965079 /nfs/dbraw/zinc/96/50/79/1064965079.db2.gz LISCBODJFXUOLA-NDEPHWFRSA-N 1 1 497.732 3.378 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299768190 1064965092 /nfs/dbraw/zinc/96/50/92/1064965092.db2.gz LISCBODJFXUOLA-NDEPHWFRSA-N 1 1 497.732 3.378 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299768584 1064965856 /nfs/dbraw/zinc/96/58/56/1064965856.db2.gz PZMDFANLFZXVIW-ZEQKJWHPSA-N 1 1 471.646 3.262 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001299771300 1064968831 /nfs/dbraw/zinc/96/88/31/1064968831.db2.gz IDIJMHWJXRUWAI-VWLOTQADSA-N 1 1 451.619 3.277 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001299778399 1064977344 /nfs/dbraw/zinc/97/73/44/1064977344.db2.gz KWKZTCGREJOJOA-UHFFFAOYSA-N 1 1 478.435 3.352 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001299778399 1064977355 /nfs/dbraw/zinc/97/73/55/1064977355.db2.gz KWKZTCGREJOJOA-UHFFFAOYSA-N 1 1 478.435 3.352 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001299785293 1064982388 /nfs/dbraw/zinc/98/23/88/1064982388.db2.gz FFEZEUNVOKQUKX-UHFFFAOYSA-N 1 1 484.689 3.406 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C1 ZINC001299786522 1064984401 /nfs/dbraw/zinc/98/44/01/1064984401.db2.gz SAQWODMSAMOXPC-UHFFFAOYSA-N 1 1 452.397 3.185 20 0 JGADMO COC1(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC001299786887 1064984892 /nfs/dbraw/zinc/98/48/92/1064984892.db2.gz SHJFOPXEBPNIPC-SFTDATJTSA-N 1 1 460.667 3.466 20 0 JGADMO COC1(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCCCC1 ZINC001299810627 1065006060 /nfs/dbraw/zinc/00/60/60/1065006060.db2.gz RDUBDQSXQXJCQC-UHFFFAOYSA-N 1 1 474.694 3.351 20 0 JGADMO COC1(Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCCCC1 ZINC001299810627 1065006066 /nfs/dbraw/zinc/00/60/66/1065006066.db2.gz RDUBDQSXQXJCQC-UHFFFAOYSA-N 1 1 474.694 3.351 20 0 JGADMO CC(C)N(C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001299817965 1065011886 /nfs/dbraw/zinc/01/18/86/1065011886.db2.gz JKUBIXKQENKELQ-XFSFLGPDSA-N 1 1 456.608 3.467 20 0 JGADMO COC1(Cn2c(N3C[C@H](C)[C@H]([N@H+]4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)CCCCC1 ZINC001299820002 1065013529 /nfs/dbraw/zinc/01/35/29/1065013529.db2.gz BLGBWMULJVPKRA-RBBKRZOGSA-N 1 1 474.694 3.304 20 0 JGADMO COc1cc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299841070 1065036296 /nfs/dbraw/zinc/03/62/96/1065036296.db2.gz JLYMZORYZLNAIQ-NRFANRHFSA-N 1 1 471.524 3.196 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299841532 1065038392 /nfs/dbraw/zinc/03/83/92/1065038392.db2.gz WXPINIPEQFHPQN-IRLDBZIGSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)O[C@H](C4CC4)C3)n2CC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299843469 1065041015 /nfs/dbraw/zinc/04/10/15/1065041015.db2.gz JXAFOGBFVUTXNZ-VGSWGCGISA-N 1 1 473.618 3.315 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299844463 1065042879 /nfs/dbraw/zinc/04/28/79/1065042879.db2.gz SCPYLWYTBYFQAD-QZTJIDSGSA-N 1 1 461.607 3.315 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299845018 1065044963 /nfs/dbraw/zinc/04/49/63/1065044963.db2.gz XIUMSYNHTGFAKK-SBHAEUEKSA-N 1 1 487.645 3.300 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC(C)C ZINC001299845602 1065045828 /nfs/dbraw/zinc/04/58/28/1065045828.db2.gz AEAIKCBBOYPBFJ-TZIWHRDSSA-N 1 1 484.645 3.173 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCn2cc[nH+]c2C)ccc1OC(C)C ZINC001299851639 1065057005 /nfs/dbraw/zinc/05/70/05/1065057005.db2.gz UXVIFMPEPLCITP-LJQANCHMSA-N 1 1 481.601 3.038 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@H](C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299851796 1065057528 /nfs/dbraw/zinc/05/75/28/1065057528.db2.gz YMIVUXOOGNTWDT-CLOONOSVSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](OC)C2CC2)cc(OC)c1OC ZINC001299854476 1065061809 /nfs/dbraw/zinc/06/18/09/1065061809.db2.gz IJOFUDUWVKBMJO-QFIPXVFZSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCCC[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299855182 1065063263 /nfs/dbraw/zinc/06/32/63/1065063263.db2.gz SDKMVMQPGVTXBV-CTNGQTDRSA-N 1 1 487.645 3.444 20 0 JGADMO COc1cc(-c2nnc(N3CCNC(=O)CC3)n2CC[N@H+]2CCCC(C)(C)C2)ccc1OC(C)C ZINC001299857307 1065066566 /nfs/dbraw/zinc/06/65/66/1065066566.db2.gz MKKXDNKMJNZTHG-UHFFFAOYSA-N 1 1 484.645 3.189 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCCSC)ccc1OC(C)C ZINC001299857800 1065067860 /nfs/dbraw/zinc/06/78/60/1065067860.db2.gz YUBUUROHYCHGON-IBGZPJMESA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCCSC)ccc1OC(C)C ZINC001299857800 1065067870 /nfs/dbraw/zinc/06/78/70/1065067870.db2.gz YUBUUROHYCHGON-IBGZPJMESA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299857727 1065067956 /nfs/dbraw/zinc/06/79/56/1065067956.db2.gz WRMUTMBZCDJZKS-PGRDOPGGSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCN(C(C)=O)CC3)n2CC[N@@H+](C)C2CCCC2)ccc1OC(C)C ZINC001299858234 1065069949 /nfs/dbraw/zinc/06/99/49/1065069949.db2.gz MZMIMAAUWZRMOQ-UHFFFAOYSA-N 1 1 484.645 3.284 20 0 JGADMO COc1cc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCn2cc[nH+]c2C)ccc1OC(C)C ZINC001299858871 1065071055 /nfs/dbraw/zinc/07/10/55/1065071055.db2.gz UOKWOQGXUYONDP-SFHVURJKSA-N 1 1 481.601 3.003 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1OC(C)C ZINC001299860744 1065076251 /nfs/dbraw/zinc/07/62/51/1065076251.db2.gz WKOWLWNXQHWKJR-UNMCSNQZSA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)C)CC2)ccc1Cl ZINC001299866323 1065083786 /nfs/dbraw/zinc/08/37/86/1065083786.db2.gz QXRFFLDPYWWTEG-IBGZPJMESA-N 1 1 496.077 3.005 20 0 JGADMO COc1cc(Cn2c(CC(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1C ZINC001299885949 1065109544 /nfs/dbraw/zinc/10/95/44/1065109544.db2.gz LSDLOPLKHJOREY-XMMPIXPASA-N 1 1 484.689 3.073 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC4CC4)n3CCOC(C)(C)C)CC2)cc(OC)c1 ZINC001299892454 1065121207 /nfs/dbraw/zinc/12/12/07/1065121207.db2.gz IDCBUXIXXHOCAC-UHFFFAOYSA-N 1 1 457.619 3.385 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCCOC3)CC2)cc(OC)c1 ZINC001299892808 1065122095 /nfs/dbraw/zinc/12/20/95/1065122095.db2.gz MYENHFVLFLXKFO-FQEVSTJZSA-N 1 1 457.619 3.243 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(-c4cnccn4)n3C[C@H](OC)C(C)(C)C)CC2)cc(OC)c1 ZINC001299893485 1065123257 /nfs/dbraw/zinc/12/32/57/1065123257.db2.gz VEFKNHMKSVUUHN-QHCPKHFHSA-N 1 1 495.628 3.136 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC[C@@H](O)C3)CC2)cc(OC)c1 ZINC001299893955 1065123954 /nfs/dbraw/zinc/12/39/54/1065123954.db2.gz ZCMFBGVFCLTUMF-RBBKRZOGSA-N 1 1 471.646 3.367 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC(C)(C)O ZINC001299894779 1065125933 /nfs/dbraw/zinc/12/59/33/1065125933.db2.gz JDRQBFRVSYTRGN-UHFFFAOYSA-N 1 1 466.026 3.173 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCCn1cc[nH+]c1C ZINC001299895558 1065127257 /nfs/dbraw/zinc/12/72/57/1065127257.db2.gz RCTOBCJAQBAEPC-SFHVURJKSA-N 1 1 493.033 3.216 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCN2CCOCC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001299897117 1065130516 /nfs/dbraw/zinc/13/05/16/1065130516.db2.gz BKKOHDCRJJHCAH-UHFFFAOYSA-N 1 1 491.080 3.498 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCCNC(=O)C(C)C ZINC001299899507 1065134566 /nfs/dbraw/zinc/13/45/66/1065134566.db2.gz ACUHTZBDXNAMKJ-IEBWSBKVSA-N 1 1 475.037 3.442 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001299902992 1065140620 /nfs/dbraw/zinc/14/06/20/1065140620.db2.gz NBPZBMLQPUMASK-LJQANCHMSA-N 1 1 490.052 3.378 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001299903114 1065141160 /nfs/dbraw/zinc/14/11/60/1065141160.db2.gz RDAMFWRKXDABDI-MRXNPFEDSA-N 1 1 475.037 3.442 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001299904009 1065142973 /nfs/dbraw/zinc/14/29/73/1065142973.db2.gz OGYJWRZTLLGYKT-UHFFFAOYSA-N 1 1 475.037 3.444 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCN1CCSCC1 ZINC001299908959 1065154941 /nfs/dbraw/zinc/15/49/41/1065154941.db2.gz JLWQGNHHBNCPTJ-UHFFFAOYSA-N 1 1 479.094 3.434 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001299913628 1065165411 /nfs/dbraw/zinc/16/54/11/1065165411.db2.gz UTPXNMZMLFFUSX-UHFFFAOYSA-N 1 1 496.077 3.497 20 0 JGADMO COc1cc(N(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc(OC)c1OC ZINC001299923790 1065178529 /nfs/dbraw/zinc/17/85/29/1065178529.db2.gz ODYQPGXGCUWMKV-LJQANCHMSA-N 1 1 484.601 3.424 20 0 JGADMO COc1cc(N(C)c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299924038 1065178669 /nfs/dbraw/zinc/17/86/69/1065178669.db2.gz PIULNNMGFYYPTR-ZWKOTPCHSA-N 1 1 459.591 3.450 20 0 JGADMO COc1cc(OC)c(CCn2c(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)nnc2C(C)(C)C)c(OC)c1 ZINC001299925251 1065183447 /nfs/dbraw/zinc/18/34/47/1065183447.db2.gz OXEKVYBCVOQUFP-WIYYLYMNSA-N 1 1 487.645 3.001 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001299931178 1065194355 /nfs/dbraw/zinc/19/43/55/1065194355.db2.gz ZKSJXJCGDFIPMZ-INIZCTEOSA-N 1 1 472.615 3.084 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCn2cc[nH+]c2C)c1 ZINC001299931511 1065195582 /nfs/dbraw/zinc/19/55/82/1065195582.db2.gz BXSRTTNTGKXSLT-UHFFFAOYSA-N 1 1 470.574 3.003 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCC(F)F)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001299931922 1065197041 /nfs/dbraw/zinc/19/70/41/1065197041.db2.gz JANLPFLHCWVNID-UHFFFAOYSA-N 1 1 453.534 3.165 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001299933544 1065200192 /nfs/dbraw/zinc/20/01/92/1065200192.db2.gz FUOMFUWIFAECQW-BVZFJXPGSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001299936541 1065203735 /nfs/dbraw/zinc/20/37/35/1065203735.db2.gz AYGNWQUXAXSAPE-LJQANCHMSA-N 1 1 484.645 3.141 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2C[C@H](C)SC)c1 ZINC001299938324 1065207074 /nfs/dbraw/zinc/20/70/74/1065207074.db2.gz KWKDIDHLOGHXKA-SBUREZEXSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CCC[NH+]2CCOCC2)c1 ZINC001299946190 1065220310 /nfs/dbraw/zinc/22/03/10/1065220310.db2.gz XVBXQDKJGKHILZ-VWLOTQADSA-N 1 1 473.618 3.080 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001299946698 1065221949 /nfs/dbraw/zinc/22/19/49/1065221949.db2.gz LYZZBWYSCDWQSO-KBMIEXCESA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001299950330 1065226011 /nfs/dbraw/zinc/22/60/11/1065226011.db2.gz MWVMSGIYYKAOID-LJQANCHMSA-N 1 1 499.660 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@@H](C)OC)c1 ZINC001299952403 1065231755 /nfs/dbraw/zinc/23/17/55/1065231755.db2.gz OFRKNBMIIXYFBZ-QGZVFWFLSA-N 1 1 457.600 3.381 20 0 JGADMO COc1cc2c(cc1OC)CCN(c1nnc(CC(C)C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC001299962961 1065245074 /nfs/dbraw/zinc/24/50/74/1065245074.db2.gz GCZCSAQTVZCEKF-QHCPKHFHSA-N 1 1 485.673 3.456 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)OC)c1 ZINC001299969745 1065256380 /nfs/dbraw/zinc/25/63/80/1065256380.db2.gz XOEJBUCBTFPFRK-ZACQAIPSSA-N 1 1 496.450 3.297 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)OC)c1 ZINC001299969745 1065256391 /nfs/dbraw/zinc/25/63/91/1065256391.db2.gz XOEJBUCBTFPFRK-ZACQAIPSSA-N 1 1 496.450 3.297 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCOC[C@H]3C)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299973287 1065261476 /nfs/dbraw/zinc/26/14/76/1065261476.db2.gz IVLAVAMMBPLUCO-MRXNPFEDSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCOC[C@H]3C)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299973287 1065261487 /nfs/dbraw/zinc/26/14/87/1065261487.db2.gz IVLAVAMMBPLUCO-MRXNPFEDSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCS(=O)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001299974180 1065263560 /nfs/dbraw/zinc/26/35/60/1065263560.db2.gz RKKWFYYUVLELMP-UHFFFAOYSA-N 1 1 484.464 3.015 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCSCC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001299974208 1065263585 /nfs/dbraw/zinc/26/35/85/1065263585.db2.gz SFQZWBNLFBWIAU-UHFFFAOYSA-N 1 1 496.475 3.380 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001299975082 1065267892 /nfs/dbraw/zinc/26/78/92/1065267892.db2.gz HMQMDTKWCRNUFS-YESZJQIVSA-N 1 1 494.434 3.051 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001299975082 1065267898 /nfs/dbraw/zinc/26/78/98/1065267898.db2.gz HMQMDTKWCRNUFS-YESZJQIVSA-N 1 1 494.434 3.051 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001299987006 1065289324 /nfs/dbraw/zinc/28/93/24/1065289324.db2.gz NUYNNWHPRRFMRD-XNZYNNNKSA-N 1 1 471.646 3.469 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCO[C@@H]2CCOC2)CC1 ZINC001299990766 1065294787 /nfs/dbraw/zinc/29/47/87/1065294787.db2.gz NIFOWYGOTGQZIL-JOCHJYFZSA-N 1 1 457.619 3.236 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001299990953 1065295169 /nfs/dbraw/zinc/29/51/69/1065295169.db2.gz QRHRUCGWBBUBGJ-UHFFFAOYSA-N 1 1 482.673 3.374 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(F)F)CC1 ZINC001299991490 1065296664 /nfs/dbraw/zinc/29/66/64/1065296664.db2.gz WVABFGXJISTRBI-UHFFFAOYSA-N 1 1 476.572 3.085 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001299995606 1065303048 /nfs/dbraw/zinc/30/30/48/1065303048.db2.gz QUPWEJQMJSLNMJ-RBUKOAKNSA-N 1 1 477.675 3.334 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001299995607 1065303225 /nfs/dbraw/zinc/30/32/25/1065303225.db2.gz QUPWEJQMJSLNMJ-RTBURBONSA-N 1 1 477.675 3.334 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1Br ZINC001299995855 1065303579 /nfs/dbraw/zinc/30/35/79/1065303579.db2.gz BSHUJSCGBSFQRQ-NVXWUHKLSA-N 1 1 496.475 3.379 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[N@H+]2CCOC[C@H]2C)cc1Br ZINC001299995855 1065303603 /nfs/dbraw/zinc/30/36/03/1065303603.db2.gz BSHUJSCGBSFQRQ-NVXWUHKLSA-N 1 1 496.475 3.379 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC(F)(F)F)cc1OC ZINC001299997294 1065307768 /nfs/dbraw/zinc/30/77/68/1065307768.db2.gz IERXVJSLNFPPKW-UHFFFAOYSA-N 1 1 471.524 3.319 20 0 JGADMO Cc1ccc(Cn2c(N3CC[N@@H+]4CCOC[C@H]4C3)nnc2C(C)(C)C)c(OCC(F)(F)F)c1 ZINC001492203599 1065318197 /nfs/dbraw/zinc/31/81/97/1065318197.db2.gz IWZAWIIGSLWCPB-GOSISDBHSA-N 1 1 467.536 3.394 20 0 JGADMO Cc1ccc(Cn2c(N3CC[N@H+]4CCOC[C@H]4C3)nnc2C(C)(C)C)c(OCC(F)(F)F)c1 ZINC001492203599 1065318201 /nfs/dbraw/zinc/31/82/01/1065318201.db2.gz IWZAWIIGSLWCPB-GOSISDBHSA-N 1 1 467.536 3.394 20 0 JGADMO Cc1ccc(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001492221881 1065328358 /nfs/dbraw/zinc/32/83/58/1065328358.db2.gz WDJKTHJVLDSNPW-RCZVLFRGSA-N 1 1 457.619 3.242 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)cc1 ZINC001492233059 1065333565 /nfs/dbraw/zinc/33/35/65/1065333565.db2.gz UULWPYDHBXQPJF-XMMPIXPASA-N 1 1 495.716 3.444 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(F)(F)F)n2CC[NH+]2CCSCC2)cc1C ZINC001492235676 1065335588 /nfs/dbraw/zinc/33/55/88/1065335588.db2.gz RIFVQOBSDCPRSQ-UHFFFAOYSA-N 1 1 456.538 3.195 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2CCC[NH+]2CCOCC2)cc1C ZINC001492237349 1065336708 /nfs/dbraw/zinc/33/67/08/1065336708.db2.gz IBMJQQQAFLHGTB-UHFFFAOYSA-N 1 1 458.582 3.054 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2ccoc2)cc1C ZINC001492240515 1065338667 /nfs/dbraw/zinc/33/86/67/1065338667.db2.gz ODEYQVDIGVVWBD-UHFFFAOYSA-N 1 1 466.586 3.336 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2ccoc2)cc1C ZINC001492240515 1065338677 /nfs/dbraw/zinc/33/86/77/1065338677.db2.gz ODEYQVDIGVVWBD-UHFFFAOYSA-N 1 1 466.586 3.336 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCC[NH+]2CCOCC2)cc1C ZINC001492254906 1065355069 /nfs/dbraw/zinc/35/50/69/1065355069.db2.gz POQSIYDJDUIYGK-QHCPKHFHSA-N 1 1 484.645 3.121 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492267965 1065363494 /nfs/dbraw/zinc/36/34/94/1065363494.db2.gz WINTVARYGLGMHO-RUZDIDTESA-N 1 1 456.635 3.475 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492267968 1065363532 /nfs/dbraw/zinc/36/35/32/1065363532.db2.gz WINTVARYGLGMHO-VWLOTQADSA-N 1 1 456.635 3.475 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492268915 1065364307 /nfs/dbraw/zinc/36/43/07/1065364307.db2.gz ZMIMTSGNZNJBJL-UNMCSNQZSA-N 1 1 481.645 3.079 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CCOC(C)C)cc1C ZINC001492268852 1065364374 /nfs/dbraw/zinc/36/43/74/1065364374.db2.gz YXOOOKVBQZTORF-UHFFFAOYSA-N 1 1 494.644 3.018 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC001492273763 1065366838 /nfs/dbraw/zinc/36/68/38/1065366838.db2.gz LUJLORXDLUHGFS-UHFFFAOYSA-N 1 1 497.688 3.036 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C2)nc1 ZINC001492279940 1065372387 /nfs/dbraw/zinc/37/23/87/1065372387.db2.gz CECTUEZWWJIJLR-OAQYLSRUSA-N 1 1 483.661 3.146 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C2)nc1 ZINC001492279940 1065372399 /nfs/dbraw/zinc/37/23/99/1065372399.db2.gz CECTUEZWWJIJLR-OAQYLSRUSA-N 1 1 483.661 3.146 20 0 JGADMO Cc1ccc(NC(=O)C2CCN(c3nnc([C@@H]4CCCOC4)n3CC[N@H+](C)C(C)C)CC2)nc1 ZINC001492281026 1065373748 /nfs/dbraw/zinc/37/37/48/1065373748.db2.gz MLRSEAHATZDMBC-OAQYLSRUSA-N 1 1 469.634 3.071 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001492283808 1065376431 /nfs/dbraw/zinc/37/64/31/1065376431.db2.gz LSNWBIPBZNZFEF-UHFFFAOYSA-N 1 1 498.031 3.488 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492287064 1065380059 /nfs/dbraw/zinc/38/00/59/1065380059.db2.gz AGTYSCFRAYAKPV-OAQYLSRUSA-N 1 1 461.614 3.379 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001492288128 1065382526 /nfs/dbraw/zinc/38/25/26/1065382526.db2.gz KNVYDYBJWKKGBB-UHFFFAOYSA-N 1 1 458.570 3.242 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492587863 1065383104 /nfs/dbraw/zinc/38/31/04/1065383104.db2.gz DGZNGVWTDCPENI-ZEQRLZLVSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001492321186 1065395389 /nfs/dbraw/zinc/39/53/89/1065395389.db2.gz YFOWSIKCKNCAMD-SFHVURJKSA-N 1 1 455.525 3.319 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001492321185 1065395430 /nfs/dbraw/zinc/39/54/30/1065395430.db2.gz YFOWSIKCKNCAMD-GOSISDBHSA-N 1 1 455.525 3.319 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001545691783 1065396775 /nfs/dbraw/zinc/39/67/75/1065396775.db2.gz IRTYDLWBPLWUQY-NJYVYQBISA-N 1 1 493.656 3.344 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001545691783 1065396785 /nfs/dbraw/zinc/39/67/85/1065396785.db2.gz IRTYDLWBPLWUQY-NJYVYQBISA-N 1 1 493.656 3.344 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001492325205 1065397675 /nfs/dbraw/zinc/39/76/75/1065397675.db2.gz JEVHZUDCDFUDBI-JOCHJYFZSA-N 1 1 479.629 3.401 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CC=CCO2)cc1C ZINC001492329354 1065399635 /nfs/dbraw/zinc/39/96/35/1065399635.db2.gz JVUHJGXQXOISLI-HSZRJFAPSA-N 1 1 469.630 3.366 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CC=CCO2)cc1C ZINC001492329354 1065399640 /nfs/dbraw/zinc/39/96/40/1065399640.db2.gz JVUHJGXQXOISLI-HSZRJFAPSA-N 1 1 469.630 3.366 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001492332291 1065402626 /nfs/dbraw/zinc/40/26/26/1065402626.db2.gz XNHKXKBSOWXSLR-LJQANCHMSA-N 1 1 457.619 3.484 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001492332290 1065402834 /nfs/dbraw/zinc/40/28/34/1065402834.db2.gz XNHKXKBSOWXSLR-IBGZPJMESA-N 1 1 457.619 3.484 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCO2)cc1C ZINC001492337677 1065405355 /nfs/dbraw/zinc/40/53/55/1065405355.db2.gz NYWWCIITRSVIMC-XJUOHMSHSA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCO2)cc1C ZINC001492337677 1065405357 /nfs/dbraw/zinc/40/53/57/1065405357.db2.gz NYWWCIITRSVIMC-XJUOHMSHSA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001492293995 1065408963 /nfs/dbraw/zinc/40/89/63/1065408963.db2.gz FTYITEOFEIJKCN-FCHUYYIVSA-N 1 1 471.646 3.353 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001492289290 1065409040 /nfs/dbraw/zinc/40/90/40/1065409040.db2.gz YZFDIKUYIQHUPR-IBGZPJMESA-N 1 1 495.653 3.137 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC001492297722 1065412133 /nfs/dbraw/zinc/41/21/33/1065412133.db2.gz YAXLNUQSCHZARI-ZCYQVOJMSA-N 1 1 484.689 3.409 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001492363361 1065424031 /nfs/dbraw/zinc/42/40/31/1065424031.db2.gz ISOPYLAJAHORDN-FYYLOGMGSA-N 1 1 489.686 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001492369779 1065430170 /nfs/dbraw/zinc/43/01/70/1065430170.db2.gz BJYJKGPRAVBXGX-NRFANRHFSA-N 1 1 454.619 3.097 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](CN4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492377472 1065441572 /nfs/dbraw/zinc/44/15/72/1065441572.db2.gz QDVWIUJGLHZHCU-QHCPKHFHSA-N 1 1 484.689 3.302 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001492344990 1065459577 /nfs/dbraw/zinc/45/95/77/1065459577.db2.gz SVEMAAAYIGXCPA-OYRHEFFESA-N 1 1 457.619 3.198 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001492346646 1065461798 /nfs/dbraw/zinc/46/17/98/1065461798.db2.gz JNOZATHFFFSHGZ-UHFFFAOYSA-N 1 1 465.602 3.161 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001492393355 1065465131 /nfs/dbraw/zinc/46/51/31/1065465131.db2.gz LOEJVYFYLWVSNM-BJKOFHAPSA-N 1 1 471.646 3.384 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001492393824 1065466186 /nfs/dbraw/zinc/46/61/86/1065466186.db2.gz MTTXZHXBVJFJDC-HXUWFJFHSA-N 1 1 497.562 3.352 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492401988 1065471730 /nfs/dbraw/zinc/47/17/30/1065471730.db2.gz QHZFOXDUXCBIBJ-QPPBQGQZSA-N 1 1 459.660 3.118 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[N@@H+]2CC=CCC2)cc1C ZINC001492402122 1065471742 /nfs/dbraw/zinc/47/17/42/1065471742.db2.gz RTUKWEMQZXNDON-XMMPIXPASA-N 1 1 469.630 3.366 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492402062 1065471754 /nfs/dbraw/zinc/47/17/54/1065471754.db2.gz REVFYFDXFONNGL-QHCPKHFHSA-N 1 1 467.618 3.126 20 0 JGADMO Cc1ccc(OCc2nnc(Nc3cnn(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001492407608 1065474171 /nfs/dbraw/zinc/47/41/71/1065474171.db2.gz IBJROUFZOPDMEG-JOCHJYFZSA-N 1 1 453.591 3.308 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492421500 1065481993 /nfs/dbraw/zinc/48/19/93/1065481993.db2.gz QPQIDTPBSHRFCH-FGZHOGPDSA-N 1 1 489.686 3.124 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001492421468 1065482187 /nfs/dbraw/zinc/48/21/87/1065482187.db2.gz PODDQYHLLYZNTM-IRLDBZIGSA-N 1 1 454.619 3.317 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001492421467 1065482249 /nfs/dbraw/zinc/48/22/49/1065482249.db2.gz PODDQYHLLYZNTM-IFMALSPDSA-N 1 1 454.619 3.317 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492435772 1065489618 /nfs/dbraw/zinc/48/96/18/1065489618.db2.gz ALKWZDKFRDDWHB-IRLDBZIGSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001492391375 1065498266 /nfs/dbraw/zinc/49/82/66/1065498266.db2.gz CZPRHJHQOJOOSL-VWLOTQADSA-N 1 1 484.689 3.300 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2ccc(F)cn2)cc1 ZINC001492391446 1065498331 /nfs/dbraw/zinc/49/83/31/1065498331.db2.gz SPEIXZBBHOSULA-UHFFFAOYSA-N 1 1 468.577 3.295 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCc3cnccn3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001492448735 1065501618 /nfs/dbraw/zinc/50/16/18/1065501618.db2.gz HIKXNZNHQJLFOW-UHFFFAOYSA-N 1 1 481.670 3.459 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCc3cnccn3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001492448735 1065501633 /nfs/dbraw/zinc/50/16/33/1065501633.db2.gz HIKXNZNHQJLFOW-UHFFFAOYSA-N 1 1 481.670 3.459 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001492455903 1065505570 /nfs/dbraw/zinc/50/55/70/1065505570.db2.gz DWTSLLDWARCRAZ-AZUAARDMSA-N 1 1 456.660 3.311 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001492467321 1065514377 /nfs/dbraw/zinc/51/43/77/1065514377.db2.gz CODJOVGEEVNBIB-UHFFFAOYSA-N 1 1 461.586 3.471 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCSCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001492468777 1065516886 /nfs/dbraw/zinc/51/68/86/1065516886.db2.gz OGNIZXSXEQSIEQ-UHFFFAOYSA-N 1 1 460.717 3.458 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001300800386 1065532569 /nfs/dbraw/zinc/53/25/69/1065532569.db2.gz ZYDVBKLDTBEYAG-CNNODRBYSA-N 1 1 461.582 3.141 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1(C)C ZINC001300818045 1065546355 /nfs/dbraw/zinc/54/63/55/1065546355.db2.gz DCPWCVOXHYWNCO-CEXWTWQISA-N 1 1 461.010 3.047 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2CCOCC2)CC[C@H]1C ZINC001300838894 1065574542 /nfs/dbraw/zinc/57/45/42/1065574542.db2.gz PPIXJOJIVSMBPR-FYYLOGMGSA-N 1 1 457.619 3.057 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1(C)C ZINC001300841225 1065579219 /nfs/dbraw/zinc/57/92/19/1065579219.db2.gz HLWQFMSWTAGGHC-DHIUTWEWSA-N 1 1 471.646 3.384 20 0 JGADMO CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1(C)C ZINC001300844103 1065584262 /nfs/dbraw/zinc/58/42/62/1065584262.db2.gz QWBMKRVFGGUZDV-JQVVWYNYSA-N 1 1 457.667 3.369 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC[C@H]1C ZINC001300851981 1065597058 /nfs/dbraw/zinc/59/70/58/1065597058.db2.gz ZDWZQIHVGGUQPQ-GNJRFXKQSA-N 1 1 477.694 3.415 20 0 JGADMO COCC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300892704 1065682373 /nfs/dbraw/zinc/68/23/73/1065682373.db2.gz RJRDXEPYACQWNB-SZPZYZBQSA-N 1 1 496.700 3.229 20 0 JGADMO COCC(C)(C)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001300915156 1065715448 /nfs/dbraw/zinc/71/54/48/1065715448.db2.gz SDUUNOFUGXNISZ-HSZRJFAPSA-N 1 1 498.672 3.149 20 0 JGADMO COCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001300928457 1065727230 /nfs/dbraw/zinc/72/72/30/1065727230.db2.gz DCLXBFGQLJHDBB-AVRDEDQJSA-N 1 1 489.064 3.260 20 0 JGADMO COC[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001300955867 1065760362 /nfs/dbraw/zinc/76/03/62/1065760362.db2.gz GRUICKZCNCMFCH-VYDXJSESSA-N 1 1 451.413 3.002 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001300959973 1065768032 /nfs/dbraw/zinc/76/80/32/1065768032.db2.gz ZDVJDXNDZIJLET-PMPSAXMXSA-N 1 1 484.464 3.209 20 0 JGADMO COC[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001300973766 1065783201 /nfs/dbraw/zinc/78/32/01/1065783201.db2.gz BJLPHUCKBDDFSO-PCCBWWKXSA-N 1 1 490.643 3.424 20 0 JGADMO COC[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001300981990 1065793774 /nfs/dbraw/zinc/79/37/74/1065793774.db2.gz ZYGREEJENRTEKJ-MOPGFXCFSA-N 1 1 462.038 3.494 20 0 JGADMO COC[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001300985195 1065796829 /nfs/dbraw/zinc/79/68/29/1065796829.db2.gz PQTZYURFBQFQKD-SFTDATJTSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300993152 1065810622 /nfs/dbraw/zinc/81/06/22/1065810622.db2.gz YINUEUMLMOSMFG-PWRODBHTSA-N 1 1 451.656 3.026 20 0 JGADMO COC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cccs2)CC1)OC ZINC001301001403 1065826432 /nfs/dbraw/zinc/82/64/32/1065826432.db2.gz ZQVGULZSSMMEHB-INIZCTEOSA-N 1 1 495.447 3.081 20 0 JGADMO COC[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001301008446 1065838064 /nfs/dbraw/zinc/83/80/64/1065838064.db2.gz RCBFEVFPBAKOFA-AUSIDOKSSA-N 1 1 473.618 3.142 20 0 JGADMO COC[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001301008447 1065838507 /nfs/dbraw/zinc/83/85/07/1065838507.db2.gz RCBFEVFPBAKOFA-CVDCTZTESA-N 1 1 473.618 3.142 20 0 JGADMO COC[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301008463 1065838529 /nfs/dbraw/zinc/83/85/29/1065838529.db2.gz RIVLBTBULDAXJR-SVFBPWRDSA-N 1 1 476.666 3.348 20 0 JGADMO COC[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001301008448 1065838557 /nfs/dbraw/zinc/83/85/57/1065838557.db2.gz RCBFEVFPBAKOFA-WMZHIEFXSA-N 1 1 473.618 3.142 20 0 JGADMO COC[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001301008449 1065838617 /nfs/dbraw/zinc/83/86/17/1065838617.db2.gz RCBFEVFPBAKOFA-XXBNENTESA-N 1 1 473.618 3.142 20 0 JGADMO COC[C@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)OC ZINC001301022085 1065857158 /nfs/dbraw/zinc/85/71/58/1065857158.db2.gz MQODRERTVZABSW-QFIPXVFZSA-N 1 1 457.619 3.236 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301037922 1065879391 /nfs/dbraw/zinc/87/93/91/1065879391.db2.gz BQRYLCQFBUJBJU-KRWDZBQOSA-N 1 1 483.430 3.485 20 0 JGADMO COC[C@H](F)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001301040874 1065883681 /nfs/dbraw/zinc/88/36/81/1065883681.db2.gz OHYIXJAURVSXTC-MISYRCLQSA-N 1 1 482.000 3.194 20 0 JGADMO COC[C@H](F)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001301040874 1065883687 /nfs/dbraw/zinc/88/36/87/1065883687.db2.gz OHYIXJAURVSXTC-MISYRCLQSA-N 1 1 482.000 3.194 20 0 JGADMO COC[C@H](F)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301042197 1065885722 /nfs/dbraw/zinc/88/57/22/1065885722.db2.gz BGCDLLQJNYDKSR-QFBILLFUSA-N 1 1 451.974 3.273 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301043182 1065887530 /nfs/dbraw/zinc/88/75/30/1065887530.db2.gz HOHZGXPVSQQTIP-IBGZPJMESA-N 1 1 461.582 3.402 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301045101 1065891159 /nfs/dbraw/zinc/89/11/59/1065891159.db2.gz QJRDQXRILXRZQC-MSOLQXFVSA-N 1 1 452.372 3.367 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301047215 1065894906 /nfs/dbraw/zinc/89/49/06/1065894906.db2.gz HXJUQQOXIIQMLV-INIZCTEOSA-N 1 1 457.953 3.269 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301047215 1065894921 /nfs/dbraw/zinc/89/49/21/1065894921.db2.gz HXJUQQOXIIQMLV-INIZCTEOSA-N 1 1 457.953 3.269 20 0 JGADMO COC[C@@H](F)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001301067654 1065918752 /nfs/dbraw/zinc/91/87/52/1065918752.db2.gz IOTNEPOMFSVZNL-INIZCTEOSA-N 1 1 450.609 3.002 20 0 JGADMO COC[C@@H](F)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301070158 1065922140 /nfs/dbraw/zinc/92/21/40/1065922140.db2.gz SUAZCPVUSGAVAD-VQTJNVASSA-N 1 1 480.629 3.052 20 0 JGADMO COCC1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001301078972 1065929249 /nfs/dbraw/zinc/92/92/49/1065929249.db2.gz ZTXMXUMQYUBFBF-HSZRJFAPSA-N 1 1 498.672 3.247 20 0 JGADMO COCC1(Cn2c(-c3ccccc3OC)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCC1 ZINC001301133024 1065973517 /nfs/dbraw/zinc/97/35/17/1065973517.db2.gz BPJUUMWTFUNBIM-UHFFFAOYSA-N 1 1 457.619 3.317 20 0 JGADMO COCC1(Cn2c(-c3ccccc3OC)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCC1 ZINC001301133024 1065973533 /nfs/dbraw/zinc/97/35/33/1065973533.db2.gz BPJUUMWTFUNBIM-UHFFFAOYSA-N 1 1 457.619 3.317 20 0 JGADMO COCC1(Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCOCC1 ZINC001301142605 1065980715 /nfs/dbraw/zinc/98/07/15/1065980715.db2.gz DSACZHOGFXMAJE-ZRZAMGCNSA-N 1 1 490.737 3.305 20 0 JGADMO COCc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[N@@H+](C)C2CCCC2)o1 ZINC001301157054 1065993685 /nfs/dbraw/zinc/99/36/85/1065993685.db2.gz OMCNTZMLZFSZFL-HXUWFJFHSA-N 1 1 458.607 3.372 20 0 JGADMO COCc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001301179227 1066010406 /nfs/dbraw/zinc/01/04/06/1066010406.db2.gz TUEJIAQYYNAIIY-VWLOTQADSA-N 1 1 498.716 3.293 20 0 JGADMO COCC1=CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001301194081 1066021036 /nfs/dbraw/zinc/02/10/36/1066021036.db2.gz KUGSXUNWNXBTOO-UHFFFAOYSA-N 1 1 488.627 3.204 20 0 JGADMO COCC1=CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001301194936 1066021831 /nfs/dbraw/zinc/02/18/31/1066021831.db2.gz ATVYBHZIEVKUHN-UHFFFAOYSA-N 1 1 450.562 3.318 20 0 JGADMO COCc1nc(Cn2c(C3CCCC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cs1 ZINC001301210458 1066034256 /nfs/dbraw/zinc/03/42/56/1066034256.db2.gz RPPKXILNHANZMA-UHFFFAOYSA-N 1 1 462.664 3.382 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301226953 1066046502 /nfs/dbraw/zinc/04/65/02/1066046502.db2.gz DXPBEKVBKPUDOR-FYYLOGMGSA-N 1 1 468.646 3.288 20 0 JGADMO COC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301255228 1066070456 /nfs/dbraw/zinc/07/04/56/1066070456.db2.gz BVJZKALRSJFMJE-RXVVDRJESA-N 1 1 475.037 3.333 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301255875 1066070888 /nfs/dbraw/zinc/07/08/88/1066070888.db2.gz IGLVMHGAAJOYLV-IFMALSPDSA-N 1 1 477.613 3.309 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301260763 1066075528 /nfs/dbraw/zinc/07/55/28/1066075528.db2.gz GAYSKLKYDYBCKI-MSOLQXFVSA-N 1 1 478.435 3.291 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301263067 1066078661 /nfs/dbraw/zinc/07/86/61/1066078661.db2.gz QNWNLCIGGGHOSS-NHCUHLMSSA-N 1 1 487.645 3.326 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301263566 1066078979 /nfs/dbraw/zinc/07/89/79/1066078979.db2.gz MGTJPQITQFFEBU-MOPGFXCFSA-N 1 1 463.026 3.357 20 0 JGADMO COC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001301275075 1066086066 /nfs/dbraw/zinc/08/60/66/1066086066.db2.gz BDVKUECWXHVTFO-LADGPHEKSA-N 1 1 455.647 3.397 20 0 JGADMO COC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001301282486 1066090754 /nfs/dbraw/zinc/09/07/54/1066090754.db2.gz MFVJUQPCKBHQRB-PKTZIBPZSA-N 1 1 457.667 3.371 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001301284414 1066092537 /nfs/dbraw/zinc/09/25/37/1066092537.db2.gz WLUOUYHGHFREOL-LJQANCHMSA-N 1 1 474.675 3.397 20 0 JGADMO COCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301287490 1066095361 /nfs/dbraw/zinc/09/53/61/1066095361.db2.gz RYWANNGXCYWPOH-NRFANRHFSA-N 1 1 469.634 3.156 20 0 JGADMO COC[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001301287626 1066095397 /nfs/dbraw/zinc/09/53/97/1066095397.db2.gz SXRSRGYFARXESD-FQEVSTJZSA-N 1 1 454.619 3.494 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301294269 1066099185 /nfs/dbraw/zinc/09/91/85/1066099185.db2.gz LNQZVAITPKSTHQ-ZCNNSNEGSA-N 1 1 457.619 3.314 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301304151 1066108261 /nfs/dbraw/zinc/10/82/61/1066108261.db2.gz JOKWQQUEQZNBTM-KRWDZBQOSA-N 1 1 464.010 3.191 20 0 JGADMO COC[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001301318414 1066116690 /nfs/dbraw/zinc/11/66/90/1066116690.db2.gz DJZXQXCDBUTBJA-UXHICEINSA-N 1 1 464.655 3.206 20 0 JGADMO COC[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301342652 1066132590 /nfs/dbraw/zinc/13/25/90/1066132590.db2.gz GNLLEVSLIWWDHB-RTWAWAEBSA-N 1 1 457.619 3.459 20 0 JGADMO COC[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001301345521 1066137112 /nfs/dbraw/zinc/13/71/12/1066137112.db2.gz YBADIPYIEGSCMR-SLFFLAALSA-N 1 1 476.666 3.396 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301356767 1066146200 /nfs/dbraw/zinc/14/62/00/1066146200.db2.gz HNOQCATXEKIYNO-PKOBYXMFSA-N 1 1 495.466 3.399 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001301359750 1066151117 /nfs/dbraw/zinc/15/11/17/1066151117.db2.gz QGIUZSWYVDPFAH-FUHWJXTLSA-N 1 1 481.439 3.008 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001301360463 1066153366 /nfs/dbraw/zinc/15/33/66/1066153366.db2.gz KWAGHBVITHQYLQ-VIZSFHNOSA-N 1 1 471.646 3.203 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001301360463 1066153370 /nfs/dbraw/zinc/15/33/70/1066153370.db2.gz KWAGHBVITHQYLQ-VIZSFHNOSA-N 1 1 471.646 3.203 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cnc4cc(F)c(F)cc4c3O)C2)ccn1 ZINC001301364744 1066159900 /nfs/dbraw/zinc/15/99/00/1066159900.db2.gz XACWMJZFPQRXEG-QGZVFWFLSA-N 1 1 456.493 3.335 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001301368140 1066162179 /nfs/dbraw/zinc/16/21/79/1066162179.db2.gz IBUNKYZGSOKPHY-BJLQDIEVSA-N 1 1 496.027 3.479 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC001301369881 1066164439 /nfs/dbraw/zinc/16/44/39/1066164439.db2.gz USBSSFHQROJKBK-HXUWFJFHSA-N 1 1 474.968 3.116 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301373645 1066167516 /nfs/dbraw/zinc/16/75/16/1066167516.db2.gz ITZURRFFJZICJU-ZRCGQRJVSA-N 1 1 457.619 3.173 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC001301377129 1066170624 /nfs/dbraw/zinc/17/06/24/1066170624.db2.gz WUNYAVHPVGFGOK-QUCCMNQESA-N 1 1 454.575 3.179 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC001301377131 1066170898 /nfs/dbraw/zinc/17/08/98/1066170898.db2.gz WUNYAVHPVGFGOK-UYAOXDASSA-N 1 1 454.575 3.179 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H](C)O1 ZINC001301389041 1066174939 /nfs/dbraw/zinc/17/49/39/1066174939.db2.gz YCGMLRAZUAMHGM-GJPOJAMWSA-N 1 1 459.610 3.369 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301396325 1066177449 /nfs/dbraw/zinc/17/74/49/1066177449.db2.gz JIUOQRDICBTMJH-XJUOHMSHSA-N 1 1 471.646 3.097 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001301396362 1066177477 /nfs/dbraw/zinc/17/74/77/1066177477.db2.gz JSYXSKIBUGCDQZ-VCOUNFBDSA-N 1 1 459.610 3.369 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)CCO1 ZINC001301409243 1066194116 /nfs/dbraw/zinc/19/41/16/1066194116.db2.gz DACSIAWZRTWIBE-QHCPKHFHSA-N 1 1 457.619 3.200 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)CCO1 ZINC001301409242 1066194136 /nfs/dbraw/zinc/19/41/36/1066194136.db2.gz DACSIAWZRTWIBE-HSZRJFAPSA-N 1 1 457.619 3.200 20 0 JGADMO COCCC(C)(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301427758 1066224190 /nfs/dbraw/zinc/22/41/90/1066224190.db2.gz XLQWSYLVIJBQSR-UHFFFAOYSA-N 1 1 497.644 3.204 20 0 JGADMO COCCC(C)(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301427758 1066224202 /nfs/dbraw/zinc/22/42/02/1066224202.db2.gz XLQWSYLVIJBQSR-UHFFFAOYSA-N 1 1 497.644 3.204 20 0 JGADMO COCC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001301436567 1066238272 /nfs/dbraw/zinc/23/82/72/1066238272.db2.gz BJXXNISOUUCGHZ-FTJBHMTQSA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001301436567 1066238288 /nfs/dbraw/zinc/23/82/88/1066238288.db2.gz BJXXNISOUUCGHZ-FTJBHMTQSA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001301438568 1066241437 /nfs/dbraw/zinc/24/14/37/1066241437.db2.gz BLQDTTXAXRWYRM-DFBJGRDBSA-N 1 1 453.587 3.345 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C(C)(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001301948938 1066243337 /nfs/dbraw/zinc/24/33/37/1066243337.db2.gz ODOHIPVNQYBBCY-NRFANRHFSA-N 1 1 476.691 3.137 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001301948962 1066244007 /nfs/dbraw/zinc/24/40/07/1066244007.db2.gz PAOLNQPDQLNQLW-RBUKOAKNSA-N 1 1 484.674 3.003 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001301948966 1066244066 /nfs/dbraw/zinc/24/40/66/1066244066.db2.gz PDLNFACTMMLHHD-LJQANCHMSA-N 1 1 498.701 3.393 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001301444953 1066256589 /nfs/dbraw/zinc/25/65/89/1066256589.db2.gz KIFASDOUBREDKP-QHCPKHFHSA-N 1 1 459.591 3.255 20 0 JGADMO COCCO[C@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cc[nH+]c1C ZINC001301964584 1066267723 /nfs/dbraw/zinc/26/77/23/1066267723.db2.gz GEZSHVMJCXMMMK-GOSISDBHSA-N 1 1 491.637 3.043 20 0 JGADMO COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC001301460361 1066281452 /nfs/dbraw/zinc/28/14/52/1066281452.db2.gz DAMIPFFDKCTYSX-RTWAWAEBSA-N 1 1 460.667 3.324 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001301984177 1066293271 /nfs/dbraw/zinc/29/32/71/1066293271.db2.gz NJDHOTOWWBDALH-MYGLTJDJSA-N 1 1 471.646 3.363 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001301984177 1066293283 /nfs/dbraw/zinc/29/32/83/1066293283.db2.gz NJDHOTOWWBDALH-MYGLTJDJSA-N 1 1 471.646 3.363 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CC=CCC1 ZINC001301985792 1066297872 /nfs/dbraw/zinc/29/78/72/1066297872.db2.gz BYNFAOIPCZVMEH-RTBURBONSA-N 1 1 468.627 3.013 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+]1CC=CCC1 ZINC001301985792 1066297883 /nfs/dbraw/zinc/29/78/83/1066297883.db2.gz BYNFAOIPCZVMEH-RTBURBONSA-N 1 1 468.627 3.013 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccc(Cl)cc1 ZINC001301986433 1066299800 /nfs/dbraw/zinc/29/98/00/1066299800.db2.gz XBWDFXDBSNYHDY-WOIUINJBSA-N 1 1 478.037 3.055 20 0 JGADMO COCCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CCCC1 ZINC001301477763 1066300055 /nfs/dbraw/zinc/30/00/55/1066300055.db2.gz MIVQTIBFPVVAQI-OAQYLSRUSA-N 1 1 460.667 3.383 20 0 JGADMO C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001301986745 1066300190 /nfs/dbraw/zinc/30/01/90/1066300190.db2.gz FMVQXTTYVUPOQX-KURKYZTESA-N 1 1 470.643 3.234 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001301986744 1066300353 /nfs/dbraw/zinc/30/03/53/1066300353.db2.gz FMVQXTTYVUPOQX-KSZLIROESA-N 1 1 470.643 3.234 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001301987038 1066301236 /nfs/dbraw/zinc/30/12/36/1066301236.db2.gz GRVPBBKFDMOAEC-BZUAXINKSA-N 1 1 495.024 3.455 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001301987041 1066301472 /nfs/dbraw/zinc/30/14/72/1066301472.db2.gz GRVPBBKFDMOAEC-PMPSAXMXSA-N 1 1 495.024 3.455 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001301987499 1066302429 /nfs/dbraw/zinc/30/24/29/1066302429.db2.gz IBLXAEJWPQSMSY-BFYDXBDKSA-N 1 1 478.022 3.025 20 0 JGADMO COCCC1(Cn2c(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)CCC1 ZINC001301493602 1066318038 /nfs/dbraw/zinc/31/80/38/1066318038.db2.gz OCXPNXJYBDMIRW-JOCHJYFZSA-N 1 1 476.710 3.014 20 0 JGADMO COCCc1noc(CN(C)c2nnc(-c3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001301496799 1066323543 /nfs/dbraw/zinc/32/35/43/1066323543.db2.gz WOKPOEUUOWAUSH-RTBURBONSA-N 1 1 453.591 3.274 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301504389 1066331045 /nfs/dbraw/zinc/33/10/45/1066331045.db2.gz AOSHMFKXFBDNOA-ZWKOTPCHSA-N 1 1 465.545 3.130 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001301999392 1066331459 /nfs/dbraw/zinc/33/14/59/1066331459.db2.gz CGDCGWNBCBBODE-TXTKFYIRSA-N 1 1 473.687 3.338 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001301999392 1066331474 /nfs/dbraw/zinc/33/14/74/1066331474.db2.gz CGDCGWNBCBBODE-TXTKFYIRSA-N 1 1 473.687 3.338 20 0 JGADMO COCC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301506801 1066335293 /nfs/dbraw/zinc/33/52/93/1066335293.db2.gz WLVAXARZUOIVHR-MTQWNXOMSA-N 1 1 463.667 3.302 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302004560 1066341043 /nfs/dbraw/zinc/34/10/43/1066341043.db2.gz VFIVQXUPYYSONE-URVUXULASA-N 1 1 491.702 3.278 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301517144 1066345875 /nfs/dbraw/zinc/34/58/75/1066345875.db2.gz YLEBTJVOUJTEEB-HBMCJLEFSA-N 1 1 456.635 3.399 20 0 JGADMO COCCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301526953 1066353718 /nfs/dbraw/zinc/35/37/18/1066353718.db2.gz RSBTVMIJDRCNGB-OFVILXPXSA-N 1 1 498.672 3.149 20 0 JGADMO COCCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001301526961 1066353830 /nfs/dbraw/zinc/35/38/30/1066353830.db2.gz RSBTVMIJDRCNGB-SQJMNOBHSA-N 1 1 498.672 3.149 20 0 JGADMO COCCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001301528881 1066356808 /nfs/dbraw/zinc/35/68/08/1066356808.db2.gz WZVJIXIAMJPFLG-XLIONFOSSA-N 1 1 495.466 3.020 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1ccccc1Cl ZINC001302016536 1066365009 /nfs/dbraw/zinc/36/50/09/1066365009.db2.gz XLTGRGDVRZRUAN-CYFREDJKSA-N 1 1 478.037 3.199 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1ccccc1Cl ZINC001302016546 1066365138 /nfs/dbraw/zinc/36/51/38/1066365138.db2.gz XLTGRGDVRZRUAN-YADARESESA-N 1 1 478.037 3.199 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001302022880 1066377438 /nfs/dbraw/zinc/37/74/38/1066377438.db2.gz GJXCYIMHSGIUCR-PMNYKWLYSA-N 1 1 481.657 3.466 20 0 JGADMO COCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001301551620 1066379486 /nfs/dbraw/zinc/37/94/86/1066379486.db2.gz GXCKSSISHRQACH-UHFFFAOYSA-N 1 1 458.010 3.471 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302030213 1066394665 /nfs/dbraw/zinc/39/46/65/1066394665.db2.gz MSZJRSCRTNBWFJ-CUNXSJBXSA-N 1 1 485.673 3.388 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302039292 1066411634 /nfs/dbraw/zinc/41/16/34/1066411634.db2.gz VHWYJPAMNPDIQP-OFNKIYASSA-N 1 1 489.636 3.369 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302050635 1066435777 /nfs/dbraw/zinc/43/57/77/1066435777.db2.gz ANVJGGHDBJHZBJ-NFBKMPQASA-N 1 1 471.646 3.243 20 0 JGADMO COCCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001301603351 1066448488 /nfs/dbraw/zinc/44/84/88/1066448488.db2.gz NFOPKLMUFFSOAA-SFHVURJKSA-N 1 1 464.655 3.348 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(OC)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302056216 1066451058 /nfs/dbraw/zinc/45/10/58/1066451058.db2.gz YFXBUYITNFUWGP-LZCXECNNSA-N 1 1 471.646 3.454 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001301606451 1066451789 /nfs/dbraw/zinc/45/17/89/1066451789.db2.gz AQJVBXUMSHEYNM-UHFFFAOYSA-N 1 1 477.053 3.262 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001301607092 1066453673 /nfs/dbraw/zinc/45/36/73/1066453673.db2.gz IWQPDCXAZVOMBJ-JOCHJYFZSA-N 1 1 478.435 3.293 20 0 JGADMO COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001301607710 1066454314 /nfs/dbraw/zinc/45/43/14/1066454314.db2.gz PCUUVKUMYMEWQT-LJQANCHMSA-N 1 1 465.017 3.380 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001301607710 1066454320 /nfs/dbraw/zinc/45/43/20/1066454320.db2.gz PCUUVKUMYMEWQT-LJQANCHMSA-N 1 1 465.017 3.380 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001301608219 1066455099 /nfs/dbraw/zinc/45/50/99/1066455099.db2.gz XVTVEJTUZMNPOQ-UHFFFAOYSA-N 1 1 472.634 3.044 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001301607716 1066455281 /nfs/dbraw/zinc/45/52/81/1066455281.db2.gz PIUQEISBJXMGDW-GOSISDBHSA-N 1 1 483.444 3.325 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC1=CCCOC1 ZINC001302057554 1066455470 /nfs/dbraw/zinc/45/54/70/1066455470.db2.gz YMHZKTDPSCPSBN-YPAWHYETSA-N 1 1 461.651 3.440 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001301610527 1066458236 /nfs/dbraw/zinc/45/82/36/1066458236.db2.gz QLDWVLHEAXLKCV-JOCHJYFZSA-N 1 1 478.435 3.293 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001301610881 1066458768 /nfs/dbraw/zinc/45/87/68/1066458768.db2.gz XVFGPLGNLWMHKC-UNMCSNQZSA-N 1 1 499.660 3.144 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302061645 1066459975 /nfs/dbraw/zinc/45/99/75/1066459975.db2.gz UPSQESBEJUEEJL-GOSISDBHSA-N 1 1 470.584 3.487 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCCCCC1 ZINC001301612580 1066460454 /nfs/dbraw/zinc/46/04/54/1066460454.db2.gz FCIZSAOIWOHKLM-UHFFFAOYSA-N 1 1 470.666 3.191 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001301612811 1066461163 /nfs/dbraw/zinc/46/11/63/1066461163.db2.gz HJGNERDSGTWXLF-VXKWHMMOSA-N 1 1 479.572 3.344 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001301612807 1066461291 /nfs/dbraw/zinc/46/12/91/1066461291.db2.gz HJGNERDSGTWXLF-FCHUYYIVSA-N 1 1 479.572 3.344 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](SC)C1 ZINC001301612833 1066461308 /nfs/dbraw/zinc/46/13/08/1066461308.db2.gz HKYNUZHELCILLA-UGKGYDQZSA-N 1 1 475.659 3.481 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001301613245 1066462502 /nfs/dbraw/zinc/46/25/02/1066462502.db2.gz KNANNJPDWJVIFO-OPYAIIAOSA-N 1 1 461.632 3.089 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001301613776 1066463023 /nfs/dbraw/zinc/46/30/23/1066463023.db2.gz RAUSLGXOSHVNSU-UHFFFAOYSA-N 1 1 452.578 3.242 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001301613622 1066463097 /nfs/dbraw/zinc/46/30/97/1066463097.db2.gz NMTRMXWUPOCWRE-HSZRJFAPSA-N 1 1 456.635 3.123 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001301613652 1066463125 /nfs/dbraw/zinc/46/31/25/1066463125.db2.gz NYEHWYJMCGLKJV-UHFFFAOYSA-N 1 1 467.540 3.276 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001302066269 1066466804 /nfs/dbraw/zinc/46/68/04/1066466804.db2.gz CXYHRKWFIYGARL-DLBZAZTESA-N 1 1 465.561 3.280 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001302066271 1066466817 /nfs/dbraw/zinc/46/68/17/1066466817.db2.gz CXYHRKWFIYGARL-IRXDYDNUSA-N 1 1 465.561 3.280 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302066400 1066467461 /nfs/dbraw/zinc/46/74/61/1066467461.db2.gz TUQNOZXQBMLQMV-TZBSWOFLSA-N 1 1 461.651 3.297 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001302066534 1066467582 /nfs/dbraw/zinc/46/75/82/1066467582.db2.gz DOHVYQAORXYPLH-HKBOAZHASA-N 1 1 451.656 3.374 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCn1c(C)nc2ccccc21 ZINC001302066833 1066468715 /nfs/dbraw/zinc/46/87/15/1066468715.db2.gz GWZYUHAMNKNDTM-FQEVSTJZSA-N 1 1 469.634 3.281 20 0 JGADMO COCCC[N@@H+](C)CCn1c(N2CCC(c3nc(-c4ccccn4)no3)CC2)nnc1C(C)(C)C ZINC001301618070 1066470064 /nfs/dbraw/zinc/47/00/64/1066470064.db2.gz MPIHHIJCDHZQLM-UHFFFAOYSA-N 1 1 482.633 3.373 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001302069495 1066473880 /nfs/dbraw/zinc/47/38/80/1066473880.db2.gz WBTWJJWEUFMILK-LJQANCHMSA-N 1 1 472.634 3.319 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1Cc1c(C)nn(C)c1C ZINC001302072733 1066483553 /nfs/dbraw/zinc/48/35/53/1066483553.db2.gz NAYWGGGJHKOSOI-NRFANRHFSA-N 1 1 499.635 3.252 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302073779 1066485786 /nfs/dbraw/zinc/48/57/86/1066485786.db2.gz WIBVMCKHEKIKDD-PWRODBHTSA-N 1 1 491.706 3.296 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCO1 ZINC001302074193 1066486349 /nfs/dbraw/zinc/48/63/49/1066486349.db2.gz ZXVKHESTZJBQLU-DENIHFKCSA-N 1 1 461.582 3.033 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302075150 1066487155 /nfs/dbraw/zinc/48/71/55/1066487155.db2.gz ILAUOIZVVKPQRI-UXHICEINSA-N 1 1 474.625 3.394 20 0 JGADMO COCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001301628878 1066487989 /nfs/dbraw/zinc/48/79/89/1066487989.db2.gz VRHXJOWTSVLJJS-MOPGFXCFSA-N 1 1 464.010 3.267 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCn2cc[nH+]c2C)CC1 ZINC001301631483 1066493490 /nfs/dbraw/zinc/49/34/90/1066493490.db2.gz RIKIZVASRMROQL-QGZVFWFLSA-N 1 1 469.565 3.209 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301637439 1066501236 /nfs/dbraw/zinc/50/12/36/1066501236.db2.gz CQXROBBIKWOZPY-OAQYLSRUSA-N 1 1 453.635 3.216 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301638494 1066502222 /nfs/dbraw/zinc/50/22/22/1066502222.db2.gz QTCKKMQUJWVGSU-AZUAARDMSA-N 1 1 453.635 3.216 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001301639913 1066503898 /nfs/dbraw/zinc/50/38/98/1066503898.db2.gz JWCISKYWUURUEV-UHFFFAOYSA-N 1 1 452.647 3.499 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001301643813 1066507973 /nfs/dbraw/zinc/50/79/73/1066507973.db2.gz GXRRAXLYYXJUTI-HXUWFJFHSA-N 1 1 454.619 3.097 20 0 JGADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cc2)cc1C ZINC001301644079 1066508785 /nfs/dbraw/zinc/50/87/85/1066508785.db2.gz KNVAQEBQLPMBJW-UHFFFAOYSA-N 1 1 457.596 3.041 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301645329 1066510014 /nfs/dbraw/zinc/51/00/14/1066510014.db2.gz ZEIJTCJTPKERRO-UHFFFAOYSA-N 1 1 498.672 3.032 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301645329 1066510027 /nfs/dbraw/zinc/51/00/27/1066510027.db2.gz ZEIJTCJTPKERRO-UHFFFAOYSA-N 1 1 498.672 3.032 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302087355 1066512718 /nfs/dbraw/zinc/51/27/18/1066512718.db2.gz FYLOEQSAWSUIRJ-IBGZPJMESA-N 1 1 461.054 3.402 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001302088385 1066514006 /nfs/dbraw/zinc/51/40/06/1066514006.db2.gz DBDLYCFYOOJKJF-VAMGGRTRSA-N 1 1 463.648 3.201 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCCn2cc[nH+]c2C)C1 ZINC001301648635 1066513991 /nfs/dbraw/zinc/51/39/91/1066513991.db2.gz DLHHLDBPPHBBCC-IBGZPJMESA-N 1 1 455.994 3.498 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 ZINC001302088769 1066515031 /nfs/dbraw/zinc/51/50/31/1066515031.db2.gz HDHNIJRMBDQOKF-SVFBPWRDSA-N 1 1 479.572 3.137 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+](C)C(C)C)C1 ZINC001301649695 1066515737 /nfs/dbraw/zinc/51/57/37/1066515737.db2.gz XERFBCFXBHPLFR-ICSRJNTNSA-N 1 1 460.598 3.202 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001302089719 1066516513 /nfs/dbraw/zinc/51/65/13/1066516513.db2.gz QNQXHECKBMKWTF-IEBWSBKVSA-N 1 1 482.000 3.144 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCCOC1 ZINC001302090445 1066517619 /nfs/dbraw/zinc/51/76/19/1066517619.db2.gz VHAKELVAQPLGGT-XPNTWCBSSA-N 1 1 457.619 3.139 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccn3C)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001301652008 1066519697 /nfs/dbraw/zinc/51/96/97/1066519697.db2.gz ZDEGRQATQFBQAN-JOCHJYFZSA-N 1 1 477.657 3.477 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302093555 1066521662 /nfs/dbraw/zinc/52/16/62/1066521662.db2.gz WLZFPGXEAXULNC-NJDAHSKKSA-N 1 1 494.681 3.226 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@H]1CCCCS1 ZINC001302095383 1066524938 /nfs/dbraw/zinc/52/49/38/1066524938.db2.gz JJIDTHFZRLJVDY-IFMALSPDSA-N 1 1 473.687 3.423 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCSC1(C)C ZINC001302095741 1066525783 /nfs/dbraw/zinc/52/57/83/1066525783.db2.gz WNQGWXLARYPJQP-XUVXKRRUSA-N 1 1 481.707 3.223 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1nc(C(C)C)cs1 ZINC001302096233 1066526453 /nfs/dbraw/zinc/52/64/53/1066526453.db2.gz YGASSHHYKQRSIW-MOPGFXCFSA-N 1 1 492.690 3.320 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302096765 1066527893 /nfs/dbraw/zinc/52/78/93/1066527893.db2.gz IPSWZKLIPOCOPR-BKSPAHHJSA-N 1 1 481.682 3.144 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCc1ccsc1 ZINC001302097017 1066528528 /nfs/dbraw/zinc/52/85/28/1066528528.db2.gz YMALZBIIANVUNG-NRFANRHFSA-N 1 1 469.655 3.442 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001302098431 1066530757 /nfs/dbraw/zinc/53/07/57/1066530757.db2.gz PMCCERLCEOCLJA-KURKYZTESA-N 1 1 463.545 3.034 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302110606 1066549601 /nfs/dbraw/zinc/54/96/01/1066549601.db2.gz FOZAICBHCJWVJC-FCHUYYIVSA-N 1 1 495.734 3.473 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302134324 1066579858 /nfs/dbraw/zinc/57/98/58/1066579858.db2.gz LSQULTZXNGOFIL-UHFFFAOYSA-N 1 1 474.694 3.254 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301695880 1066584093 /nfs/dbraw/zinc/58/40/93/1066584093.db2.gz HRIFCYUZFKGZRA-KDURUIRLSA-N 1 1 474.053 3.420 20 0 JGADMO COCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001301698199 1066586794 /nfs/dbraw/zinc/58/67/94/1066586794.db2.gz KRFZAAQUGFKCQR-WOJBJXKFSA-N 1 1 481.645 3.439 20 0 JGADMO COCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001301700170 1066589321 /nfs/dbraw/zinc/58/93/21/1066589321.db2.gz KUEUFSLJHKBAAK-LJQANCHMSA-N 1 1 473.622 3.249 20 0 JGADMO CC(=O)N1CCCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301705409 1066594614 /nfs/dbraw/zinc/59/46/14/1066594614.db2.gz ITCYSMMJKGDFOF-KDURUIRLSA-N 1 1 473.691 3.060 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccs3)C[C@@H]2C)CC1 ZINC001301707059 1066596671 /nfs/dbraw/zinc/59/66/71/1066596671.db2.gz AYURTEOKLHBSHG-GHTZIAJQSA-N 1 1 458.676 3.259 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[C@H]3CCCCO3)C[C@H]2C)CC1 ZINC001301707329 1066597505 /nfs/dbraw/zinc/59/75/05/1066597505.db2.gz BWTMRDIGSNQRKL-YMPZKCBVSA-N 1 1 474.694 3.304 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC(=O)Nc3c(C)cccc3C)C[C@@H]2C)CC1 ZINC001301707263 1066597590 /nfs/dbraw/zinc/59/75/90/1066597590.db2.gz BHKPKTKVWUXCNS-GMAHTHKFSA-N 1 1 495.672 3.036 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)C[C@@H]2C)CC1 ZINC001301707323 1066597772 /nfs/dbraw/zinc/59/77/72/1066597772.db2.gz BWTMRDIGSNQRKL-ACIOBRDBSA-N 1 1 474.694 3.304 20 0 JGADMO COCCN(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301707259 1066597836 /nfs/dbraw/zinc/59/78/36/1066597836.db2.gz XJVAMOIDTCKQRF-BGYRXZFFSA-N 1 1 454.619 3.252 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4ccsc4)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301707678 1066598159 /nfs/dbraw/zinc/59/81/59/1066598159.db2.gz FAHBHPJWSSKQIR-NFBKMPQASA-N 1 1 488.702 3.124 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C)c(C)s3)C[C@H]2C)CC1 ZINC001301707589 1066598209 /nfs/dbraw/zinc/59/82/09/1066598209.db2.gz DIKUQEVNTQWCOF-UTKZUKDTSA-N 1 1 487.718 3.367 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)C[C@@H]2C)CC1 ZINC001301707843 1066599301 /nfs/dbraw/zinc/59/93/01/1066599301.db2.gz GFLTVEWYWKUCEB-LAUBAEHRSA-N 1 1 487.718 3.271 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)N(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001301708336 1066600654 /nfs/dbraw/zinc/60/06/54/1066600654.db2.gz LRIMZIFRAKPRAY-SGIRGMQISA-N 1 1 481.689 3.305 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001301708395 1066600707 /nfs/dbraw/zinc/60/07/07/1066600707.db2.gz MKLPCNDGYXXGOB-WIOPSUGQSA-N 1 1 495.716 3.481 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)c3ccccn3)C[C@@H]2C)CC1 ZINC001301708500 1066601263 /nfs/dbraw/zinc/60/12/63/1066601263.db2.gz OBYVNNVQYIWVKQ-GMAHTHKFSA-N 1 1 481.689 3.228 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001301713289 1066611585 /nfs/dbraw/zinc/61/15/85/1066611585.db2.gz KGWCFGBNYAARAB-KNQAVFIVSA-N 1 1 475.659 3.086 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001301713327 1066611691 /nfs/dbraw/zinc/61/16/91/1066611691.db2.gz KPQLLTYTEJYYDG-XMMPIXPASA-N 1 1 478.037 3.341 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCC2)C1 ZINC001301713701 1066612789 /nfs/dbraw/zinc/61/27/89/1066612789.db2.gz MVYXTRCRBNYGMX-UHFFFAOYSA-N 1 1 478.435 3.435 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302157413 1066612865 /nfs/dbraw/zinc/61/28/65/1066612865.db2.gz QGNAJZMGUMXBFH-GGAORHGYSA-N 1 1 470.662 3.406 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001302157414 1066612901 /nfs/dbraw/zinc/61/29/01/1066612901.db2.gz QGNAJZMGUMXBFH-GMAHTHKFSA-N 1 1 470.662 3.406 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001301713928 1066614134 /nfs/dbraw/zinc/61/41/34/1066614134.db2.gz OTNUQQSIXRBHOM-GOSISDBHSA-N 1 1 497.669 3.012 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCc2oncc2C1 ZINC001301714432 1066615414 /nfs/dbraw/zinc/61/54/14/1066615414.db2.gz UQHZYGHWMIBJAN-UHFFFAOYSA-N 1 1 481.420 3.288 20 0 JGADMO CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)CC12CCCCC2 ZINC001301714671 1066616636 /nfs/dbraw/zinc/61/66/36/1066616636.db2.gz OUYONTSJUUJJGM-UHFFFAOYSA-N 1 1 487.737 3.221 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001301715906 1066618096 /nfs/dbraw/zinc/61/80/96/1066618096.db2.gz HFAQHDRCTDTNFD-UHFFFAOYSA-N 1 1 497.644 3.452 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301716657 1066618681 /nfs/dbraw/zinc/61/86/81/1066618681.db2.gz MJQZDWSBWIKYAQ-OAQYLSRUSA-N 1 1 472.634 3.407 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001301718029 1066620100 /nfs/dbraw/zinc/62/01/00/1066620100.db2.gz ZKNHTKYJBYGTME-VWLOTQADSA-N 1 1 450.587 3.060 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001301718007 1066620117 /nfs/dbraw/zinc/62/01/17/1066620117.db2.gz YVZSGWLFBYKVBA-MRXNPFEDSA-N 1 1 457.529 3.105 20 0 JGADMO COCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001301721055 1066625718 /nfs/dbraw/zinc/62/57/18/1066625718.db2.gz HTAVTDLDZIAVBA-KDURUIRLSA-N 1 1 460.648 3.056 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001301721442 1066626839 /nfs/dbraw/zinc/62/68/39/1066626839.db2.gz IFWBICQGNJTHOE-UHFFFAOYSA-N 1 1 474.959 3.251 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccs2)CC1 ZINC001301722094 1066629668 /nfs/dbraw/zinc/62/96/68/1066629668.db2.gz NSLPSHYBSZVANA-UHFFFAOYSA-N 1 1 494.463 3.002 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302166708 1066630986 /nfs/dbraw/zinc/63/09/86/1066630986.db2.gz LFSXJKAMGOSQPP-FQEVSTJZSA-N 1 1 476.419 3.211 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001301723073 1066633661 /nfs/dbraw/zinc/63/36/61/1066633661.db2.gz VCAWIAIIBPTWOG-YADARESESA-N 1 1 461.582 3.142 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001301726555 1066643004 /nfs/dbraw/zinc/64/30/04/1066643004.db2.gz UNEOAQKLHUPRJQ-UHFFFAOYSA-N 1 1 464.614 3.484 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001301726596 1066643731 /nfs/dbraw/zinc/64/37/31/1066643731.db2.gz VQYTVOQFSFOCCO-UHFFFAOYSA-N 1 1 481.601 3.215 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302173137 1066644021 /nfs/dbraw/zinc/64/40/21/1066644021.db2.gz QIBHELWQWOSRML-NRFANRHFSA-N 1 1 494.606 3.452 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001301726932 1066644347 /nfs/dbraw/zinc/64/43/47/1066644347.db2.gz XMYVHGGUWVMENF-GOSISDBHSA-N 1 1 495.455 3.421 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302174165 1066645626 /nfs/dbraw/zinc/64/56/26/1066645626.db2.gz NFAAPIYFMUMIQN-QZTJIDSGSA-N 1 1 478.435 3.434 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301728083 1066647206 /nfs/dbraw/zinc/64/72/06/1066647206.db2.gz UPBBTRRMPALXMX-YLJYHZDGSA-N 1 1 476.597 3.012 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001301729789 1066647821 /nfs/dbraw/zinc/64/78/21/1066647821.db2.gz KZLQREQALRSTJA-VWLOTQADSA-N 1 1 467.618 3.104 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001301729810 1066647867 /nfs/dbraw/zinc/64/78/67/1066647867.db2.gz LZEXSPLQETUHFM-HNNXBMFYSA-N 1 1 496.563 3.173 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001301730098 1066648453 /nfs/dbraw/zinc/64/84/53/1066648453.db2.gz PHYMBZKGCNTOJX-KDURUIRLSA-N 1 1 455.632 3.039 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N(C)Cc1csc(Br)c1 ZINC001301729843 1066648469 /nfs/dbraw/zinc/64/84/69/1066648469.db2.gz MXGQGRSYBWMGBO-UHFFFAOYSA-N 1 1 467.437 3.322 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001301729865 1066648566 /nfs/dbraw/zinc/64/85/66/1066648566.db2.gz NVWAVRDLOVYVRT-JOCHJYFZSA-N 1 1 469.659 3.287 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001301730666 1066650011 /nfs/dbraw/zinc/65/00/11/1066650011.db2.gz YURCSRAEHKHFTP-OAQYLSRUSA-N 1 1 456.978 3.150 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001301732887 1066653354 /nfs/dbraw/zinc/65/33/54/1066653354.db2.gz WSBRGYGGXNKLIN-FPOVZHCZSA-N 1 1 476.666 3.350 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001301734665 1066655909 /nfs/dbraw/zinc/65/59/09/1066655909.db2.gz PSVSBRRNITVMGV-YJBOKZPZSA-N 1 1 475.943 3.257 20 0 JGADMO COCC[N@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001301736090 1066658101 /nfs/dbraw/zinc/65/81/01/1066658101.db2.gz HUTQVNFEGXMLJK-OAQYLSRUSA-N 1 1 458.676 3.132 20 0 JGADMO COCC[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001301736090 1066658106 /nfs/dbraw/zinc/65/81/06/1066658106.db2.gz HUTQVNFEGXMLJK-OAQYLSRUSA-N 1 1 458.676 3.132 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301736294 1066658827 /nfs/dbraw/zinc/65/88/27/1066658827.db2.gz JVDRBQLLHYRRLN-OAQYLSRUSA-N 1 1 478.682 3.425 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001301737379 1066659333 /nfs/dbraw/zinc/65/93/33/1066659333.db2.gz XQJMGIVFLSFJLH-CALCHBBNSA-N 1 1 454.040 3.419 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001301737130 1066659487 /nfs/dbraw/zinc/65/94/87/1066659487.db2.gz VEUQBJALCFFHOG-UHFFFAOYSA-N 1 1 486.636 3.081 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)nnc1C(C)(C)C ZINC001301739672 1066660841 /nfs/dbraw/zinc/66/08/41/1066660841.db2.gz CSWKIPHECHKWGL-UHFFFAOYSA-N 1 1 481.645 3.131 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCO[C@@H](c3ccccc3Br)C2)nnc1C(C)(C)C ZINC001301739595 1066660929 /nfs/dbraw/zinc/66/09/29/1066660929.db2.gz BVEUNVFMEQYTOX-LJQANCHMSA-N 1 1 480.451 3.494 20 0 JGADMO COCCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CC[C@@H](C)C1 ZINC001301740342 1066661322 /nfs/dbraw/zinc/66/13/22/1066661322.db2.gz BMVIZUIUOADJIW-NJYVYQBISA-N 1 1 460.667 3.276 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)nnc1C(C)(C)C ZINC001301742095 1066664381 /nfs/dbraw/zinc/66/43/81/1066664381.db2.gz VJXZWCCCNQECEW-FQEVSTJZSA-N 1 1 458.651 3.046 20 0 JGADMO COCC[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001301741978 1066664475 /nfs/dbraw/zinc/66/44/75/1066664475.db2.gz SVJOQXMSORHVGD-APWZRJJASA-N 1 1 454.040 3.009 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001301741969 1066664522 /nfs/dbraw/zinc/66/45/22/1066664522.db2.gz STMANLUVEZMSEQ-DNVJHFABSA-N 1 1 489.636 3.492 20 0 JGADMO CC(C)(C)CCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001302187533 1066666487 /nfs/dbraw/zinc/66/64/87/1066666487.db2.gz MPBAFPIYSBOENU-YADHBBJMSA-N 1 1 471.646 3.170 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC001301744997 1066671171 /nfs/dbraw/zinc/67/11/71/1066671171.db2.gz PCVZJNDKRNBBBE-PMACEKPBSA-N 1 1 489.064 3.080 20 0 JGADMO CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301749098 1066677871 /nfs/dbraw/zinc/67/78/71/1066677871.db2.gz MPJRYOSXUJGPEA-QFIPXVFZSA-N 1 1 452.647 3.386 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC001301748909 1066677912 /nfs/dbraw/zinc/67/79/12/1066677912.db2.gz DZLRPJPBURGEAC-GMAHTHKFSA-N 1 1 468.646 3.343 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CCn2cc(Br)cn2)CC1 ZINC001302194539 1066681555 /nfs/dbraw/zinc/68/15/55/1066681555.db2.gz GFEVQOPKWBIKLT-UHFFFAOYSA-N 1 1 473.423 3.310 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC(F)F)CC1 ZINC001302194603 1066682330 /nfs/dbraw/zinc/68/23/30/1066682330.db2.gz HFZZPMCHVHOQOA-UHFFFAOYSA-N 1 1 499.632 3.178 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001302199600 1066691570 /nfs/dbraw/zinc/69/15/70/1066691570.db2.gz GAEAGAYFUWRIFH-JOCHJYFZSA-N 1 1 489.686 3.098 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001302199606 1066691613 /nfs/dbraw/zinc/69/16/13/1066691613.db2.gz GAEAGAYFUWRIFH-QFIPXVFZSA-N 1 1 489.686 3.098 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CCc4ccccc4)n3CCCC(C)C)C[C@@H]2C)CC1 ZINC001301762964 1066702638 /nfs/dbraw/zinc/70/26/38/1066702638.db2.gz DVLYYGWOLSHHOI-WIOPSUGQSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301763731 1066704238 /nfs/dbraw/zinc/70/42/38/1066704238.db2.gz IJLUDQVYCDBQJD-QZTJIDSGSA-N 1 1 489.462 3.354 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(C)(C)O)c3)C[C@H]2C)CC1 ZINC001301764144 1066704643 /nfs/dbraw/zinc/70/46/43/1066704643.db2.gz IOOAWGDHSDYIFG-HYBUGGRVSA-N 1 1 496.700 3.131 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001301764748 1066705971 /nfs/dbraw/zinc/70/59/71/1066705971.db2.gz SJNHQFIBJHEZOU-NRFANRHFSA-N 1 1 489.462 3.497 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccsc4)n3CCCC(C)C)C[C@@H]2C)CC1 ZINC001301764758 1066706045 /nfs/dbraw/zinc/70/60/45/1066706045.db2.gz KQAPEUKWZGPIIF-UGKGYDQZSA-N 1 1 458.676 3.355 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(OC(F)F)c(F)c3)C[C@H]2C)CC1 ZINC001301766570 1066708074 /nfs/dbraw/zinc/70/80/74/1066708074.db2.gz OQRSAIVVFXRCNM-OXQOHEQNSA-N 1 1 494.562 3.179 20 0 JGADMO CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302210673 1066710110 /nfs/dbraw/zinc/71/01/10/1066710110.db2.gz HZLHVDJCMXEYEX-UHFFFAOYSA-N 1 1 472.037 3.491 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(F)c(C)c3)C[C@H]2C)CC1 ZINC001301768164 1066711033 /nfs/dbraw/zinc/71/10/33/1066711033.db2.gz SWDJNRGTQKFHEY-XMSQKQJNSA-N 1 1 456.610 3.060 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccccc4F)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301768224 1066711169 /nfs/dbraw/zinc/71/11/69/1066711169.db2.gz ULQBCSBRWAJELL-LAUBAEHRSA-N 1 1 496.553 3.339 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(F)c(C)c3)C[C@@H]2C)CC1 ZINC001301768163 1066711220 /nfs/dbraw/zinc/71/12/20/1066711220.db2.gz SWDJNRGTQKFHEY-PGRDOPGGSA-N 1 1 456.610 3.060 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C2CCC2)CC1 ZINC001301767939 1066711299 /nfs/dbraw/zinc/71/12/99/1066711299.db2.gz ZHLMBKSSCGCGDC-UHFFFAOYSA-N 1 1 451.402 3.405 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CCCOC(F)F)C[C@H]2C)CC1 ZINC001301768379 1066711707 /nfs/dbraw/zinc/71/17/07/1066711707.db2.gz VPPJUDATDYUGMM-OXQOHEQNSA-N 1 1 496.990 3.217 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccc4Cl)n3CC(F)(F)F)C[C@@H]2C)CC1 ZINC001301768623 1066712438 /nfs/dbraw/zinc/71/24/38/1066712438.db2.gz YAGZCDAKPIUBBY-KSSFIOAISA-N 1 1 470.927 3.150 20 0 JGADMO CC(C)(C)OC(=O)N(CCn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)C1CC1 ZINC001302219725 1066722343 /nfs/dbraw/zinc/72/23/43/1066722343.db2.gz QZOKSHKPDLXWHZ-VWLOTQADSA-N 1 1 476.666 3.276 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001301778997 1066726993 /nfs/dbraw/zinc/72/69/93/1066726993.db2.gz YOXKIYNURICGTH-DEOSSOPVSA-N 1 1 490.004 3.228 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccn3C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001301804305 1066756065 /nfs/dbraw/zinc/75/60/65/1066756065.db2.gz SDOXQPJWGZRXFV-UHFFFAOYSA-N 1 1 455.651 3.432 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccnc3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001301805217 1066757665 /nfs/dbraw/zinc/75/76/65/1066757665.db2.gz OMFCHKOPQKYQNW-UHFFFAOYSA-N 1 1 450.591 3.209 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301807470 1066760891 /nfs/dbraw/zinc/76/08/91/1066760891.db2.gz HHYTUFRSVXJLGM-XBCQCDMNSA-N 1 1 460.667 3.176 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001301812615 1066767194 /nfs/dbraw/zinc/76/71/94/1066767194.db2.gz FPMCCIZPCSQPFA-HSZRJFAPSA-N 1 1 495.672 3.374 20 0 JGADMO CC(C)(C)OC(=O)NC1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001302241642 1066767401 /nfs/dbraw/zinc/76/74/01/1066767401.db2.gz WJTLZDQHLNNTNF-UHFFFAOYSA-N 1 1 464.655 3.180 20 0 JGADMO CC(C)(C)OC(=O)NC1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001302241642 1066767407 /nfs/dbraw/zinc/76/74/07/1066767407.db2.gz WJTLZDQHLNNTNF-UHFFFAOYSA-N 1 1 464.655 3.180 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H]1CC[C@H](C)C1 ZINC001302241911 1066768031 /nfs/dbraw/zinc/76/80/31/1066768031.db2.gz CUMSVXZAUBAQDC-CMOCDZPBSA-N 1 1 463.667 3.233 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001301814411 1066769975 /nfs/dbraw/zinc/76/99/75/1066769975.db2.gz GUTTXMQLMJGLOR-WSTZPKSXSA-N 1 1 458.582 3.146 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001301814407 1066770005 /nfs/dbraw/zinc/77/00/05/1066770005.db2.gz GUTTXMQLMJGLOR-NLWGTHIKSA-N 1 1 458.582 3.146 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H]1CCCCS1 ZINC001302244692 1066773541 /nfs/dbraw/zinc/77/35/41/1066773541.db2.gz XVQQGHDUFMTBON-HBMCJLEFSA-N 1 1 481.707 3.082 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)c2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302248368 1066781075 /nfs/dbraw/zinc/78/10/75/1066781075.db2.gz QNMXSDMNKKTRHS-XWGVYQGASA-N 1 1 484.689 3.268 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C)o2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302248507 1066781555 /nfs/dbraw/zinc/78/15/55/1066781555.db2.gz PINOFASIXCJOPN-IIZPIQPGSA-N 1 1 475.634 3.428 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001301824880 1066787750 /nfs/dbraw/zinc/78/77/50/1066787750.db2.gz PBYMSOJUZGBZFX-FCHUYYIVSA-N 1 1 453.635 3.121 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301829333 1066795013 /nfs/dbraw/zinc/79/50/13/1066795013.db2.gz OMNSOFBKPMKYBN-AWRGLXIESA-N 1 1 452.647 3.289 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301829634 1066795309 /nfs/dbraw/zinc/79/53/09/1066795309.db2.gz PZEOEXRCJOZVAV-ZEQRLZLVSA-N 1 1 452.647 3.289 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301831990 1066798307 /nfs/dbraw/zinc/79/83/07/1066798307.db2.gz IAJXCMWGSHAUED-AJSBUHFISA-N 1 1 454.619 3.145 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001301832236 1066798597 /nfs/dbraw/zinc/79/85/97/1066798597.db2.gz KDKYCAPLTXOZHJ-TZIWHRDSSA-N 1 1 454.619 3.062 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301836688 1066807240 /nfs/dbraw/zinc/80/72/40/1066807240.db2.gz PHBSAQURLJAWEC-QGZVFWFLSA-N 1 1 476.572 3.383 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301836687 1066807455 /nfs/dbraw/zinc/80/74/55/1066807455.db2.gz PHBSAQURLJAWEC-KRWDZBQOSA-N 1 1 476.572 3.383 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2cnccn2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302260122 1066807509 /nfs/dbraw/zinc/80/75/09/1066807509.db2.gz YYPHCKFQTKRPPW-KGSLCBSSSA-N 1 1 485.677 3.228 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001302261163 1066808753 /nfs/dbraw/zinc/80/87/53/1066808753.db2.gz OYHCYTWHLKWBAP-KKYITRMCSA-N 1 1 489.636 3.490 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001302261163 1066808760 /nfs/dbraw/zinc/80/87/60/1066808760.db2.gz OYHCYTWHLKWBAP-KKYITRMCSA-N 1 1 489.636 3.490 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C(C)C)cc1 ZINC001302280854 1066848722 /nfs/dbraw/zinc/84/87/22/1066848722.db2.gz HVZRFEKRORWNMK-BKULYWANSA-N 1 1 457.640 3.182 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001301863671 1066852086 /nfs/dbraw/zinc/85/20/86/1066852086.db2.gz AITLCLUZFDNMGI-KZHJIPFUSA-N 1 1 457.615 3.287 20 0 JGADMO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC001301863719 1066852145 /nfs/dbraw/zinc/85/21/45/1066852145.db2.gz BDRHZWGVVZHRJA-QGDZQMKYSA-N 1 1 457.615 3.383 20 0 JGADMO CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC001301866293 1066857319 /nfs/dbraw/zinc/85/73/19/1066857319.db2.gz BQMNKXIUMZRMPW-FXOREOJDSA-N 1 1 451.611 3.379 20 0 JGADMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001301870115 1066861456 /nfs/dbraw/zinc/86/14/56/1066861456.db2.gz YCQUSJJTCFYOSS-WWMYMODYSA-N 1 1 450.004 3.034 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301872800 1066869414 /nfs/dbraw/zinc/86/94/14/1066869414.db2.gz OYBJKNOUYVJHTD-BJKOFHAPSA-N 1 1 482.673 3.373 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(C)C)CC1 ZINC001301873914 1066873835 /nfs/dbraw/zinc/87/38/35/1066873835.db2.gz CBJNORPUKXLTSG-UHFFFAOYSA-N 1 1 477.053 3.312 20 0 JGADMO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301873875 1066874125 /nfs/dbraw/zinc/87/41/25/1066874125.db2.gz BNSSVRGYMOEXPQ-QHCPKHFHSA-N 1 1 497.688 3.180 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2cccc(NC(=O)C3CCC3)c2)C[C@@H]1C ZINC001301874038 1066874259 /nfs/dbraw/zinc/87/42/59/1066874259.db2.gz FBVYFIMNOXHQTG-IBGZPJMESA-N 1 1 454.619 3.345 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[C@H]2CCCCO2)CC1 ZINC001301874167 1066874746 /nfs/dbraw/zinc/87/47/46/1066874746.db2.gz GSJKZLTYMZLJRN-HSZRJFAPSA-N 1 1 484.645 3.265 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001301876649 1066878057 /nfs/dbraw/zinc/87/80/57/1066878057.db2.gz GIEOYDHQMGLXIP-UZUQRXQVSA-N 1 1 464.010 3.001 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCOCC2)C[C@H]1C ZINC001301876837 1066878720 /nfs/dbraw/zinc/87/87/20/1066878720.db2.gz IJNLXINEYGPMRV-MOPGFXCFSA-N 1 1 461.582 3.141 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001301876884 1066878915 /nfs/dbraw/zinc/87/89/15/1066878915.db2.gz IWEORVNPDQMIOI-DLBZAZTESA-N 1 1 493.534 3.354 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001301877437 1066879535 /nfs/dbraw/zinc/87/95/35/1066879535.db2.gz NCYXSTOVDRNZGK-ACIOBRDBSA-N 1 1 471.646 3.476 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2snnc2C)CC1 ZINC001301878292 1066881673 /nfs/dbraw/zinc/88/16/73/1066881673.db2.gz WBPPQXWEBNKOHG-MRXNPFEDSA-N 1 1 478.022 3.048 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2ccccc2)C[C@@H]1C ZINC001301878535 1066882189 /nfs/dbraw/zinc/88/21/89/1066882189.db2.gz XXMMVVJUOSAEIQ-MCEYFSPLSA-N 1 1 471.646 3.279 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001301879931 1066884908 /nfs/dbraw/zinc/88/49/08/1066884908.db2.gz PROBXKXHHHKFAS-KRWDZBQOSA-N 1 1 476.572 3.383 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC(C)C)C[C@@H]1C ZINC001301881664 1066888331 /nfs/dbraw/zinc/88/83/31/1066888331.db2.gz GZRQBUWOKDPMBD-INIZCTEOSA-N 1 1 469.428 3.008 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001301881392 1066888356 /nfs/dbraw/zinc/88/83/56/1066888356.db2.gz FNCQISKJLOPHKT-OAHLLOKOSA-N 1 1 497.497 3.343 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)cc2F)CC1 ZINC001301881744 1066888446 /nfs/dbraw/zinc/88/84/46/1066888446.db2.gz IHCGZVLYDRVMLH-UHFFFAOYSA-N 1 1 491.409 3.310 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(=O)NC(C)C)C[C@H]1C ZINC001301882075 1066889594 /nfs/dbraw/zinc/88/95/94/1066889594.db2.gz LBXNUGLMPZGOCK-MRXNPFEDSA-N 1 1 491.061 3.495 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2OCCC2(C)C)C[C@H]1C ZINC001301883000 1066890774 /nfs/dbraw/zinc/89/07/74/1066890774.db2.gz UDRSTYCNDWRORQ-APWZRJJASA-N 1 1 495.466 3.018 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccnc(SC)c2)CC1 ZINC001301883046 1066890838 /nfs/dbraw/zinc/89/08/38/1066890838.db2.gz VHJDDVNXELFTIZ-UHFFFAOYSA-N 1 1 490.580 3.480 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC2(C)C)C[C@H]1C ZINC001301882733 1066890972 /nfs/dbraw/zinc/89/09/72/1066890972.db2.gz SQIMBTYTROPQMS-HZPDHXFCSA-N 1 1 465.440 3.249 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2OCCC2(C)C)C[C@@H]1C ZINC001301883001 1066891024 /nfs/dbraw/zinc/89/10/24/1066891024.db2.gz UDRSTYCNDWRORQ-LPHOPBHVSA-N 1 1 495.466 3.018 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2OCCC2(C)C)C[C@H]1C ZINC001301883003 1066891112 /nfs/dbraw/zinc/89/11/12/1066891112.db2.gz UDRSTYCNDWRORQ-VQIMIIECSA-N 1 1 495.466 3.018 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301882993 1066891139 /nfs/dbraw/zinc/89/11/39/1066891139.db2.gz ITEUNGSUMXMLOS-FQEVSTJZSA-N 1 1 453.635 3.266 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCCC2(C)C)C[C@H]1C ZINC001301883418 1066891600 /nfs/dbraw/zinc/89/16/00/1066891600.db2.gz WVEKBZYEGLYPHY-BCHFMIIMSA-N 1 1 487.645 3.060 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCCC2(C)C)C[C@H]1C ZINC001301883419 1066891758 /nfs/dbraw/zinc/89/17/58/1066891758.db2.gz WVEKBZYEGLYPHY-NIYFSFCBSA-N 1 1 487.645 3.060 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)OC)C[C@@H]1C ZINC001301884867 1066893545 /nfs/dbraw/zinc/89/35/45/1066893545.db2.gz FDCRUAHWVVABGO-INIZCTEOSA-N 1 1 466.424 3.290 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CC(C)C)CC2)C[C@H]1C ZINC001301885281 1066893939 /nfs/dbraw/zinc/89/39/39/1066893939.db2.gz IANVRQUKKYHZLQ-HXUWFJFHSA-N 1 1 489.686 3.332 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CC(C)C)CC2)C[C@@H]1C ZINC001301885280 1066893959 /nfs/dbraw/zinc/89/39/59/1066893959.db2.gz IANVRQUKKYHZLQ-FQEVSTJZSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC(O)(c4cccc(Br)c4)C3)cc2)C[C@@H](C)O1 ZINC001302305859 1066895158 /nfs/dbraw/zinc/89/51/58/1066895158.db2.gz AWENYPBWAJQDFC-IAGOWNOFSA-N 1 1 459.384 3.402 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001301885895 1066895529 /nfs/dbraw/zinc/89/55/29/1066895529.db2.gz OJHSBPWMWYUTEK-HKUYNNGSSA-N 1 1 478.435 3.149 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301886244 1066896812 /nfs/dbraw/zinc/89/68/12/1066896812.db2.gz SXKJZXIHYGWWFL-MRXNPFEDSA-N 1 1 483.480 3.022 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001301886479 1066897935 /nfs/dbraw/zinc/89/79/35/1066897935.db2.gz ABFLBFNYYCGSFS-KRWDZBQOSA-N 1 1 495.455 3.279 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+](C)C(C)C)CC1=O ZINC001301886907 1066898552 /nfs/dbraw/zinc/89/85/52/1066898552.db2.gz DFEDEGWSQXAJSY-UHFFFAOYSA-N 1 1 483.444 3.277 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001301887015 1066898993 /nfs/dbraw/zinc/89/89/93/1066898993.db2.gz FYSDCMNKRURJNC-HOTGVXAUSA-N 1 1 455.434 3.359 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](OC)C2CC2)CC1 ZINC001301887059 1066899522 /nfs/dbraw/zinc/89/95/22/1066899522.db2.gz DEUQMJVAGVJMGK-HXUWFJFHSA-N 1 1 478.435 3.209 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(OC)CCOC2)C[C@H]1C ZINC001301887780 1066901346 /nfs/dbraw/zinc/90/13/46/1066901346.db2.gz KZKPVOIHZFGRMA-ZHRRBRCNSA-N 1 1 484.428 3.214 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCCO2)C[C@@H]1C ZINC001301887830 1066901624 /nfs/dbraw/zinc/90/16/24/1066901624.db2.gz LRYAINURJDUKBE-HKUYNNGSSA-N 1 1 464.010 3.333 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nccnc2C)C[C@H]1C ZINC001301888156 1066902475 /nfs/dbraw/zinc/90/24/75/1066902475.db2.gz NAFOMXGQUODMDB-QGZVFWFLSA-N 1 1 486.020 3.105 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCOC(C)(C)C)CC1 ZINC001301888114 1066902516 /nfs/dbraw/zinc/90/25/16/1066902516.db2.gz MGDZDCCOXAOCFH-UHFFFAOYSA-N 1 1 451.999 3.191 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nccnc2C)C[C@@H]1C ZINC001301888153 1066902693 /nfs/dbraw/zinc/90/26/93/1066902693.db2.gz NAFOMXGQUODMDB-KRWDZBQOSA-N 1 1 486.020 3.105 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCOC2)C[C@@H]1C ZINC001301888235 1066903049 /nfs/dbraw/zinc/90/30/49/1066903049.db2.gz OVVNASSIOQTWLH-ROUUACIJSA-N 1 1 464.010 3.191 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCSCC(C)C ZINC001302310563 1066904120 /nfs/dbraw/zinc/90/41/20/1066904120.db2.gz ARSZDZJKZLMHAH-HBMCJLEFSA-N 1 1 451.681 3.456 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001302311341 1066905145 /nfs/dbraw/zinc/90/51/45/1066905145.db2.gz HVLZJHVYLIRURP-TUFLPTIASA-N 1 1 481.707 3.081 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)C[C@@H]1C ZINC001301889011 1066905624 /nfs/dbraw/zinc/90/56/24/1066905624.db2.gz UNWDFWOOUHBNHX-LSDHHAIUSA-N 1 1 470.387 3.039 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@H]2C)C[C@@H]1C ZINC001301889022 1066905658 /nfs/dbraw/zinc/90/56/58/1066905658.db2.gz UUMNQTRXEKAQLY-QYZOEREBSA-N 1 1 478.037 3.437 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](SC)C(C)(C)C ZINC001302311703 1066905691 /nfs/dbraw/zinc/90/56/91/1066905691.db2.gz PABYYYPBWDINPJ-YRPNKDGESA-N 1 1 451.681 3.454 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(OC)cc2)C[C@H]1C ZINC001301889209 1066906253 /nfs/dbraw/zinc/90/62/53/1066906253.db2.gz XJDYHSVPMWBXQQ-GOSISDBHSA-N 1 1 487.004 3.238 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(Cl)c2)CC1 ZINC001301889317 1066907114 /nfs/dbraw/zinc/90/71/14/1066907114.db2.gz ZQRVPQTZFJZZGZ-UHFFFAOYSA-N 1 1 477.396 3.472 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301889391 1066907134 /nfs/dbraw/zinc/90/71/34/1066907134.db2.gz XBISNKMDDALIJZ-UHFFFAOYSA-N 1 1 461.054 3.489 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001301889468 1066907528 /nfs/dbraw/zinc/90/75/28/1066907528.db2.gz ZNAAOTMOEGIBNK-FXAWDEMLSA-N 1 1 458.632 3.368 20 0 JGADMO CC(C)(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001302313514 1066909491 /nfs/dbraw/zinc/90/94/91/1066909491.db2.gz BFTGELSZIYNFDM-UHFFFAOYSA-N 1 1 474.675 3.256 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301891882 1066912695 /nfs/dbraw/zinc/91/26/95/1066912695.db2.gz RQKQHWNJSXEJER-FCHUYYIVSA-N 1 1 470.662 3.233 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(C)C)cc2)C[C@@H]1C ZINC001301895557 1066915906 /nfs/dbraw/zinc/91/59/06/1066915906.db2.gz FANYGWDBSDNOML-FQEVSTJZSA-N 1 1 450.587 3.333 20 0 JGADMO CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302320090 1066916993 /nfs/dbraw/zinc/91/69/93/1066916993.db2.gz CJDXHCJMYZJTAH-NBLPZQPVSA-N 1 1 473.687 3.432 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCCOc2ccc(F)cc2)C[C@@H]1C ZINC001301896183 1066917736 /nfs/dbraw/zinc/91/77/36/1066917736.db2.gz OZKLTQAQJPOLSJ-IBGZPJMESA-N 1 1 454.550 3.105 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896047 1066917821 /nfs/dbraw/zinc/91/78/21/1066917821.db2.gz DFWCKIYJULLVOZ-SFTDATJTSA-N 1 1 491.080 3.112 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896047 1066917825 /nfs/dbraw/zinc/91/78/25/1066917825.db2.gz DFWCKIYJULLVOZ-SFTDATJTSA-N 1 1 491.080 3.112 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)Oc2cccc(F)c2)C[C@@H]1C ZINC001301896389 1066919434 /nfs/dbraw/zinc/91/94/34/1066919434.db2.gz SGGFLPDRQCZVJO-RBUKOAKNSA-N 1 1 456.566 3.047 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCCCc2nc(C)cs2)C[C@@H]1C ZINC001301896320 1066919465 /nfs/dbraw/zinc/91/94/65/1066919465.db2.gz PYAFNCQRDFEUTJ-IBGZPJMESA-N 1 1 457.648 3.228 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001301896757 1066920612 /nfs/dbraw/zinc/92/06/12/1066920612.db2.gz YJPALLRSJDVVNZ-UHFFFAOYSA-N 1 1 478.931 3.412 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(Br)cc2)C[C@@H]1C ZINC001301897937 1066921857 /nfs/dbraw/zinc/92/18/57/1066921857.db2.gz FCDUSRZFJAQSLK-KRWDZBQOSA-N 1 1 473.419 3.435 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301898677 1066923261 /nfs/dbraw/zinc/92/32/61/1066923261.db2.gz NKMAPZOYYDCZME-IRFCIJBXSA-N 1 1 487.649 3.076 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001301899837 1066924614 /nfs/dbraw/zinc/92/46/14/1066924614.db2.gz GXULGUWDWXXDRY-QGZVFWFLSA-N 1 1 486.418 3.011 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001301900184 1066924670 /nfs/dbraw/zinc/92/46/70/1066924670.db2.gz YFFQIAJTTQCSBX-IBGZPJMESA-N 1 1 482.629 3.425 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC001301900463 1066925665 /nfs/dbraw/zinc/92/56/65/1066925665.db2.gz LYBBGLXMWPXBID-SFHVURJKSA-N 1 1 454.550 3.001 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001301900638 1066925718 /nfs/dbraw/zinc/92/57/18/1066925718.db2.gz AWKPGNPKGGETJC-LEWJYISDSA-N 1 1 489.064 3.308 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001301900705 1066925762 /nfs/dbraw/zinc/92/57/62/1066925762.db2.gz MNJUXFFUDIYHIU-GOSISDBHSA-N 1 1 489.546 3.462 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301901786 1066926927 /nfs/dbraw/zinc/92/69/27/1066926927.db2.gz GINUAXPKHAIDBV-ZRCGQRJVSA-N 1 1 482.673 3.351 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001301903286 1066929025 /nfs/dbraw/zinc/92/90/25/1066929025.db2.gz WPGBJLNIBODJKF-KBXCAEBGSA-N 1 1 481.428 3.076 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccc(Br)s2)CC1 ZINC001301906284 1066930845 /nfs/dbraw/zinc/93/08/45/1066930845.db2.gz ASHDYFDHVHFVOM-UHFFFAOYSA-N 1 1 454.438 3.381 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001302330831 1066931204 /nfs/dbraw/zinc/93/12/04/1066931204.db2.gz UUCFKWOFJASTDX-NHCUHLMSSA-N 1 1 495.734 3.332 20 0 JGADMO CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC001302335101 1066934654 /nfs/dbraw/zinc/93/46/54/1066934654.db2.gz RTTJIBVLPZSPPA-KRWDZBQOSA-N 1 1 495.550 3.063 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)C[C@@H]1C ZINC001301910830 1066935999 /nfs/dbraw/zinc/93/59/99/1066935999.db2.gz IZKPWTNCMZMKPP-PMACEKPBSA-N 1 1 466.671 3.183 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(C(=O)N3CCCCC3)cc2)C[C@H]1C ZINC001301910930 1066936461 /nfs/dbraw/zinc/93/64/61/1066936461.db2.gz KUALTWOGMOQEOI-JOCHJYFZSA-N 1 1 482.673 3.308 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(C)(F)F)CC1 ZINC001301911054 1066936837 /nfs/dbraw/zinc/93/68/37/1066936837.db2.gz FWESZOYAENWFNK-UHFFFAOYSA-N 1 1 486.608 3.206 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC(C)C)n2CCc2ccc(OC)c(Br)c2)CC1 ZINC001301911331 1066936937 /nfs/dbraw/zinc/93/69/37/1066936937.db2.gz LYDYILSPKWBTBD-UHFFFAOYSA-N 1 1 480.451 3.259 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001301912021 1066938433 /nfs/dbraw/zinc/93/84/33/1066938433.db2.gz JTWRYRAXPRMUST-QFIPXVFZSA-N 1 1 457.619 3.275 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCOc2ccccc2C)C[C@@H]1C ZINC001301912653 1066939896 /nfs/dbraw/zinc/93/98/96/1066939896.db2.gz LVDZEFPFDBZCSB-VXKWHMMOSA-N 1 1 457.619 3.107 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001301913179 1066941100 /nfs/dbraw/zinc/94/11/00/1066941100.db2.gz UYWINRNWZVQXGK-UHFFFAOYSA-N 1 1 496.484 3.378 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2ccccc2Cl)C[C@@H]1C ZINC001301914110 1066943315 /nfs/dbraw/zinc/94/33/15/1066943315.db2.gz YTFFUBQMMOFBKF-FDDCHVKYSA-N 1 1 450.027 3.195 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2ccccc2Cl)C[C@H]1C ZINC001301914111 1066943449 /nfs/dbraw/zinc/94/34/49/1066943449.db2.gz YTFFUBQMMOFBKF-JPYJTQIMSA-N 1 1 450.027 3.195 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001301914465 1066943761 /nfs/dbraw/zinc/94/37/61/1066943761.db2.gz PZRZOSHJAAAXSH-IBGZPJMESA-N 1 1 454.619 3.294 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001301914555 1066943857 /nfs/dbraw/zinc/94/38/57/1066943857.db2.gz RBRQBKFIEHURBF-BWAGFHJFSA-N 1 1 492.615 3.258 20 0 JGADMO CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301914639 1066944080 /nfs/dbraw/zinc/94/40/80/1066944080.db2.gz QUBZEZWIOSZGLE-ABSDTBQOSA-N 1 1 461.010 3.271 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2ccccc2F)C[C@H]1C ZINC001301914992 1066944490 /nfs/dbraw/zinc/94/44/90/1066944490.db2.gz RNJFYCKYBDPYBW-DXIQSLLYSA-N 1 1 461.582 3.283 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001301915648 1066945768 /nfs/dbraw/zinc/94/57/68/1066945768.db2.gz TVJOWKRMVIFQOE-IEBWSBKVSA-N 1 1 467.536 3.396 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2ccccc2Cl)C[C@@H]1C ZINC001301916148 1066946462 /nfs/dbraw/zinc/94/64/62/1066946462.db2.gz VVCOKKBYXGGBIP-XZOYJPPVSA-N 1 1 478.037 3.238 20 0 JGADMO CC(C)(O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302354509 1066947978 /nfs/dbraw/zinc/94/79/78/1066947978.db2.gz TXWMSSTXDVPVOZ-KRWDZBQOSA-N 1 1 478.435 3.027 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301918299 1066948329 /nfs/dbraw/zinc/94/83/29/1066948329.db2.gz HBDBXWKMPYGEJY-WIOPSUGQSA-N 1 1 477.657 3.032 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001301918358 1066948429 /nfs/dbraw/zinc/94/84/29/1066948429.db2.gz ACNFQJBZSSSMKX-FQEVSTJZSA-N 1 1 458.626 3.039 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001301918766 1066949031 /nfs/dbraw/zinc/94/90/31/1066949031.db2.gz COFAREMSNADGSV-QPPBQGQZSA-N 1 1 459.610 3.228 20 0 JGADMO O=C(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1cncc(Br)c1 ZINC001302356950 1066948972 /nfs/dbraw/zinc/94/89/72/1066948972.db2.gz SHNHKGYHBNRCGJ-FCHUYYIVSA-N 1 1 479.378 3.454 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2csc(C)n2)CC1 ZINC001301918399 1066949182 /nfs/dbraw/zinc/94/91/82/1066949182.db2.gz BFORGBWHJVSAEL-UHFFFAOYSA-N 1 1 461.035 3.298 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCC(OC)CC2)C[C@H]1C ZINC001301919637 1066951425 /nfs/dbraw/zinc/95/14/25/1066951425.db2.gz JGUXDLYWSOMNTA-HVIUMASTSA-N 1 1 471.646 3.240 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001301919315 1066951459 /nfs/dbraw/zinc/95/14/59/1066951459.db2.gz QFQPURHXUFUIAG-RBUKOAKNSA-N 1 1 452.525 3.326 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001301919602 1066951688 /nfs/dbraw/zinc/95/16/88/1066951688.db2.gz IVBMMYWWHMDWKK-SFHVURJKSA-N 1 1 490.530 3.368 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001301921131 1066954053 /nfs/dbraw/zinc/95/40/53/1066954053.db2.gz QRBVXUDBKOUXRR-HSZRJFAPSA-N 1 1 498.672 3.345 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2Br)C[C@H]1C ZINC001301921135 1066954147 /nfs/dbraw/zinc/95/41/47/1066954147.db2.gz QRRHTIJJFLQBIL-GOSISDBHSA-N 1 1 485.430 3.232 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)C[C@H]1C ZINC001301921308 1066955349 /nfs/dbraw/zinc/95/53/49/1066955349.db2.gz SORZOJZXGQUFNY-LJQANCHMSA-N 1 1 472.037 3.046 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2c(C)noc2C)C[C@H]1C ZINC001301921788 1066955970 /nfs/dbraw/zinc/95/59/70/1066955970.db2.gz VXGXLMBVOWFDSI-QGZVFWFLSA-N 1 1 456.566 3.012 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2Cc2cc(OC)ccc2OC)C[C@H]1C ZINC001301922358 1066956630 /nfs/dbraw/zinc/95/66/30/1066956630.db2.gz KJDFLVDQOASIPZ-LJQANCHMSA-N 1 1 457.619 3.233 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(OC(C)C)nc2)C[C@H]1C ZINC001301922733 1066956671 /nfs/dbraw/zinc/95/66/71/1066956671.db2.gz YOYKQTBUNVISMT-HXUWFJFHSA-N 1 1 482.604 3.395 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302369576 1066958144 /nfs/dbraw/zinc/95/81/44/1066958144.db2.gz VLSOCQRVJKPEDY-ZWKOTPCHSA-N 1 1 496.425 3.309 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(NC(=O)OC)c2)C[C@H]1C ZINC001301924856 1066958393 /nfs/dbraw/zinc/95/83/93/1066958393.db2.gz ZDQNUFJRVYWTMT-GOSISDBHSA-N 1 1 484.626 3.314 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001301924770 1066958623 /nfs/dbraw/zinc/95/86/23/1066958623.db2.gz WVKLPZSANBVOSW-NVXWUHKLSA-N 1 1 461.554 3.055 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1C ZINC001301926838 1066959929 /nfs/dbraw/zinc/95/99/29/1066959929.db2.gz NKJTTWMUQOREDR-AKFKNWHVSA-N 1 1 455.647 3.283 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001301926501 1066960141 /nfs/dbraw/zinc/96/01/41/1066960141.db2.gz GLKCCUJRTZFECY-CPJSRVTESA-N 1 1 469.655 3.189 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2c(C)coc2C)C[C@H]1C ZINC001301927209 1066960537 /nfs/dbraw/zinc/96/05/37/1066960537.db2.gz YXHJNDHXBZAFLM-HXUWFJFHSA-N 1 1 453.587 3.315 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)c2ccccc2)C[C@@H]1C ZINC001301927085 1066960786 /nfs/dbraw/zinc/96/07/86/1066960786.db2.gz VBOWYISPBNVUKR-FQEVSTJZSA-N 1 1 473.572 3.089 20 0 JGADMO COCCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301926997 1066960872 /nfs/dbraw/zinc/96/08/72/1066960872.db2.gz RSHFHUFUBQVVCC-ISKFKSNPSA-N 1 1 484.689 3.177 20 0 JGADMO COCCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301926997 1066960885 /nfs/dbraw/zinc/96/08/85/1066960885.db2.gz RSHFHUFUBQVVCC-ISKFKSNPSA-N 1 1 484.689 3.177 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2ccccn2)C[C@H]1C ZINC001301927311 1066961505 /nfs/dbraw/zinc/96/15/05/1066961505.db2.gz BLRNGHBBUMASSR-JOCHJYFZSA-N 1 1 464.614 3.269 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)c2ccco2)C[C@H]1C ZINC001301927435 1066961820 /nfs/dbraw/zinc/96/18/20/1066961820.db2.gz GABPWWGTYNXVGV-RLWLMLJZSA-N 1 1 483.613 3.132 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001301927361 1066961976 /nfs/dbraw/zinc/96/19/76/1066961976.db2.gz DCMFDZUVEOLAHR-QHCPKHFHSA-N 1 1 470.662 3.198 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC001301927529 1066962527 /nfs/dbraw/zinc/96/25/27/1066962527.db2.gz IQPRBKOIBKQSOS-BHIFYINESA-N 1 1 457.619 3.138 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCS2)CC1 ZINC001301927457 1066962570 /nfs/dbraw/zinc/96/25/70/1066962570.db2.gz GGQACXRISVASQN-IBGZPJMESA-N 1 1 496.475 3.284 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301927574 1066963284 /nfs/dbraw/zinc/96/32/84/1066963284.db2.gz JRMDIYGHJIPHQE-PKTZIBPZSA-N 1 1 470.662 3.054 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301927574 1066963292 /nfs/dbraw/zinc/96/32/92/1066963292.db2.gz JRMDIYGHJIPHQE-PKTZIBPZSA-N 1 1 470.662 3.054 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302380702 1066963993 /nfs/dbraw/zinc/96/39/93/1066963993.db2.gz OQQTYDSJVIWYMD-LVCYWYKZSA-N 1 1 464.010 3.235 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001301927976 1066964356 /nfs/dbraw/zinc/96/43/56/1066964356.db2.gz QMOYRVRVWCSYPI-HKUYNNGSSA-N 1 1 451.974 3.417 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(Cl)nc2)C[C@H]1C ZINC001301927949 1066964555 /nfs/dbraw/zinc/96/45/55/1066964555.db2.gz PUORXRASZCPSDO-LJQANCHMSA-N 1 1 471.005 3.419 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001301927864 1066964644 /nfs/dbraw/zinc/96/46/44/1066964644.db2.gz OSNIEQDGWZYCMB-RDGATRHJSA-N 1 1 471.646 3.303 20 0 JGADMO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001301928041 1066964964 /nfs/dbraw/zinc/96/49/64/1066964964.db2.gz RQIKDCKODPJZIZ-RPWUZVMVSA-N 1 1 484.689 3.443 20 0 JGADMO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001301928041 1066964972 /nfs/dbraw/zinc/96/49/72/1066964972.db2.gz RQIKDCKODPJZIZ-RPWUZVMVSA-N 1 1 484.689 3.443 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001302381585 1066965292 /nfs/dbraw/zinc/96/52/92/1066965292.db2.gz ZMUOILOEWWAYPD-NFBKMPQASA-N 1 1 471.646 3.348 20 0 JGADMO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001301928042 1066965345 /nfs/dbraw/zinc/96/53/45/1066965345.db2.gz RQIKDCKODPJZIZ-ZEQRLZLVSA-N 1 1 484.689 3.443 20 0 JGADMO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001301928042 1066965355 /nfs/dbraw/zinc/96/53/55/1066965355.db2.gz RQIKDCKODPJZIZ-ZEQRLZLVSA-N 1 1 484.689 3.443 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCCCC2)C[C@H]1C ZINC001301931154 1066968553 /nfs/dbraw/zinc/96/85/53/1066968553.db2.gz BPIIVXVCNVNGBV-HXUWFJFHSA-N 1 1 489.686 3.431 20 0 JGADMO CC(C)=CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001302387611 1066969407 /nfs/dbraw/zinc/96/94/07/1066969407.db2.gz FPZGBZGWDISYIW-UHFFFAOYSA-N 1 1 465.650 3.169 20 0 JGADMO CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001302390063 1066970430 /nfs/dbraw/zinc/97/04/30/1066970430.db2.gz SAPHSHUZKJXAOY-JOCHJYFZSA-N 1 1 470.593 3.095 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCc2cc(Br)ccc2F)CC1 ZINC001301932263 1066970707 /nfs/dbraw/zinc/97/07/07/1066970707.db2.gz WZHJDSDUNJLKNP-LJQANCHMSA-N 1 1 482.398 3.042 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@@H]1C ZINC001301932670 1066971039 /nfs/dbraw/zinc/97/10/39/1066971039.db2.gz ICECYAUSXDGZPH-MZLICYQSSA-N 1 1 475.609 3.214 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H](O)C2)C[C@@H]1C ZINC001301933448 1066972487 /nfs/dbraw/zinc/97/24/87/1066972487.db2.gz NEBODIZENVLSMM-HBMCJLEFSA-N 1 1 489.686 3.287 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001301933459 1066972551 /nfs/dbraw/zinc/97/25/51/1066972551.db2.gz NHNKYJKRJQRLFT-DXBBTUNJSA-N 1 1 463.667 3.170 20 0 JGADMO COCCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301933474 1066972713 /nfs/dbraw/zinc/97/27/13/1066972713.db2.gz NQASUIAKJGASKZ-UHFFFAOYSA-N 1 1 477.078 3.254 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCSC2)C[C@H]1C ZINC001301934250 1066974510 /nfs/dbraw/zinc/97/45/10/1066974510.db2.gz WSVBJXYIGLDWAD-MOPGFXCFSA-N 1 1 477.700 3.489 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC2CC(F)(F)C2)C[C@@H]1C ZINC001301934294 1066974547 /nfs/dbraw/zinc/97/45/47/1066974547.db2.gz XJODMKACWAWJMJ-KRWDZBQOSA-N 1 1 465.545 3.068 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001301933989 1066974582 /nfs/dbraw/zinc/97/45/82/1066974582.db2.gz STIOBKGGLHMGPW-QGZVFWFLSA-N 1 1 474.606 3.333 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)c2cccs2)C[C@@H]1C ZINC001301934421 1066974817 /nfs/dbraw/zinc/97/48/17/1066974817.db2.gz YDPJDUXVPPTIGL-MHECFPHRSA-N 1 1 489.617 3.122 20 0 JGADMO CO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001302396600 1066976136 /nfs/dbraw/zinc/97/61/36/1066976136.db2.gz CHAUMDKUJYPHGM-FQEVSTJZSA-N 1 1 464.655 3.348 20 0 JGADMO CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001302401836 1066981980 /nfs/dbraw/zinc/98/19/80/1066981980.db2.gz SZBLRZZHPKBLSZ-WMZOPIPTSA-N 1 1 484.428 3.357 20 0 JGADMO CO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001302402101 1066982307 /nfs/dbraw/zinc/98/23/07/1066982307.db2.gz WIRNWLCTTJLBCU-HKBOAZHASA-N 1 1 492.665 3.076 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301942781 1066992286 /nfs/dbraw/zinc/99/22/86/1066992286.db2.gz NTCQXMIDOMHNIA-JAXLGGSGSA-N 1 1 474.694 3.109 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302416591 1066999154 /nfs/dbraw/zinc/99/91/54/1066999154.db2.gz FSQVPKSYRARVLP-DEOSSOPVSA-N 1 1 493.631 3.276 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001302417863 1067001257 /nfs/dbraw/zinc/00/12/57/1067001257.db2.gz DOLVGXURVTZBRW-BHIFYINESA-N 1 1 457.619 3.136 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302417963 1067001642 /nfs/dbraw/zinc/00/16/42/1067001642.db2.gz CJQYRNWNBYEZOS-GXRSIYKFSA-N 1 1 474.694 3.422 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001302418894 1067003322 /nfs/dbraw/zinc/00/33/22/1067003322.db2.gz ROFDCJQZAAAHRQ-QFIPXVFZSA-N 1 1 467.662 3.127 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@@H]1OC ZINC001302420253 1067005302 /nfs/dbraw/zinc/00/53/02/1067005302.db2.gz QGCZAXGTEBSZOX-PSWAGMNNSA-N 1 1 464.614 3.002 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001302422073 1067008388 /nfs/dbraw/zinc/00/83/88/1067008388.db2.gz GDGJLYRYUHYOLC-NRFANRHFSA-N 1 1 460.667 3.383 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001302422519 1067009379 /nfs/dbraw/zinc/00/93/79/1067009379.db2.gz OHXIAXSLJZUTEO-LEWJYISDSA-N 1 1 460.667 3.381 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1OC ZINC001302425515 1067011021 /nfs/dbraw/zinc/01/10/21/1067011021.db2.gz JSSUHVTWDCURRV-MXEMCNAFSA-N 1 1 463.667 3.169 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303960091 1067014605 /nfs/dbraw/zinc/01/46/05/1067014605.db2.gz QVDIMINFBSUAHS-VQTJNVASSA-N 1 1 476.666 3.398 20 0 JGADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303979325 1067027199 /nfs/dbraw/zinc/02/71/99/1067027199.db2.gz GCECXVVFDVQFOS-HSZRJFAPSA-N 1 1 496.700 3.305 20 0 JGADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303979325 1067027210 /nfs/dbraw/zinc/02/72/10/1067027210.db2.gz GCECXVVFDVQFOS-HSZRJFAPSA-N 1 1 496.700 3.305 20 0 JGADMO CC1=C(Br)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001303999160 1067042218 /nfs/dbraw/zinc/04/22/18/1067042218.db2.gz PFPDPSRWCLITRH-OAQYLSRUSA-N 1 1 498.372 3.492 20 0 JGADMO Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1c(C)sc(C)c1Br ZINC001304000017 1067043899 /nfs/dbraw/zinc/04/38/99/1067043899.db2.gz VPOXRMSOTIYNGV-YVEFUNNKSA-N 1 1 454.438 3.233 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@H+]2C2CC2)c1C ZINC001304011244 1067053710 /nfs/dbraw/zinc/05/37/10/1067053710.db2.gz QUOJWMQCYJBMDO-NRFANRHFSA-N 1 1 481.645 3.125 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1C ZINC001304011477 1067054250 /nfs/dbraw/zinc/05/42/50/1067054250.db2.gz SSBRDYAIDMZUPU-FPOVZHCZSA-N 1 1 495.672 3.326 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1C ZINC001304011739 1067055030 /nfs/dbraw/zinc/05/50/30/1067055030.db2.gz YASILSZPRBSHIB-QHCPKHFHSA-N 1 1 495.672 3.180 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC[N@@H+]2CCOC(C)(C)C2)c1C ZINC001304013649 1067056809 /nfs/dbraw/zinc/05/68/09/1067056809.db2.gz MWSLUPGOJIKXJP-UHFFFAOYSA-N 1 1 454.619 3.033 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC[N@H+]2CCOC(C)(C)C2)c1C ZINC001304013649 1067056825 /nfs/dbraw/zinc/05/68/25/1067056825.db2.gz MWSLUPGOJIKXJP-UHFFFAOYSA-N 1 1 454.619 3.033 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304015997 1067059165 /nfs/dbraw/zinc/05/91/65/1067059165.db2.gz SGDGZGJUYXZIEC-HFZDXXHNSA-N 1 1 481.645 3.088 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001302458849 1067061973 /nfs/dbraw/zinc/06/19/73/1067061973.db2.gz IXJJUEURGRMHFE-HSZRJFAPSA-N 1 1 467.662 3.269 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001304020309 1067064331 /nfs/dbraw/zinc/06/43/31/1067064331.db2.gz SQRFKFIIALMMNH-QKNQBKEWSA-N 1 1 454.619 3.186 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001304020310 1067064528 /nfs/dbraw/zinc/06/45/28/1067064528.db2.gz SQRFKFIIALMMNH-SFHLNBCPSA-N 1 1 454.619 3.186 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304021834 1067066058 /nfs/dbraw/zinc/06/60/58/1067066058.db2.gz UHKMKGSEXMBXJD-VHSZZVNMSA-N 1 1 498.672 3.093 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001304023344 1067068640 /nfs/dbraw/zinc/06/86/40/1067068640.db2.gz LZBNCOBKVKOONM-QFQXNSOFSA-N 1 1 468.646 3.482 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001304023544 1067068927 /nfs/dbraw/zinc/06/89/27/1067068927.db2.gz NSWIQIYFWLTBGT-CTNGQTDRSA-N 1 1 465.602 3.332 20 0 JGADMO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001302467360 1067070873 /nfs/dbraw/zinc/07/08/73/1067070873.db2.gz ACELGKXIVUQKFC-YLJYHZDGSA-N 1 1 452.382 3.499 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@H+](C)C(C)C)c1C ZINC001304025655 1067071612 /nfs/dbraw/zinc/07/16/12/1067071612.db2.gz XPGKAHLMKAPGBO-HXUWFJFHSA-N 1 1 477.675 3.389 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[NH+]2CCOCC2)c1C ZINC001304026645 1067073933 /nfs/dbraw/zinc/07/39/33/1067073933.db2.gz TWQPEALVWHNVMR-QHCPKHFHSA-N 1 1 498.672 3.062 20 0 JGADMO CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001302470672 1067074700 /nfs/dbraw/zinc/07/47/00/1067074700.db2.gz USDCLBQGBVLWST-XZOQPEGZSA-N 1 1 468.646 3.393 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001304028427 1067075612 /nfs/dbraw/zinc/07/56/12/1067075612.db2.gz FNIRQFHOFJHTNI-FGZHOGPDSA-N 1 1 468.646 3.482 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCN4CCCC[C@@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030157 1067078479 /nfs/dbraw/zinc/07/84/79/1067078479.db2.gz NLFXJBRDTSSMTA-XZOQPEGZSA-N 1 1 470.662 3.288 20 0 JGADMO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001304032254 1067081537 /nfs/dbraw/zinc/08/15/37/1067081537.db2.gz UEMFKMOFSGPNGU-SFHVURJKSA-N 1 1 463.424 3.429 20 0 JGADMO Cc1nc(CCn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)sc1C ZINC001304046355 1067089193 /nfs/dbraw/zinc/08/91/93/1067089193.db2.gz PZYVQOHKWOWHAW-LJQANCHMSA-N 1 1 462.664 3.035 20 0 JGADMO Cc1nc(CCn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)sc1C ZINC001304046355 1067089202 /nfs/dbraw/zinc/08/92/02/1067089202.db2.gz PZYVQOHKWOWHAW-LJQANCHMSA-N 1 1 462.664 3.035 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001302494995 1067094001 /nfs/dbraw/zinc/09/40/01/1067094001.db2.gz CAQGKIFNJZFCSP-OFVILXPXSA-N 1 1 459.610 3.431 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302498480 1067096753 /nfs/dbraw/zinc/09/67/53/1067096753.db2.gz SSWGWNAEGASZOV-HYBUGGRVSA-N 1 1 462.038 3.088 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302498482 1067097023 /nfs/dbraw/zinc/09/70/23/1067097023.db2.gz SSWGWNAEGASZOV-RDPSFJRHSA-N 1 1 462.038 3.088 20 0 JGADMO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CC[N@H+]3C3CCOCC3)cc2)c1 ZINC001304060742 1067104199 /nfs/dbraw/zinc/10/41/99/1067104199.db2.gz RLRNILKOMASASH-QFIPXVFZSA-N 1 1 457.596 3.087 20 0 JGADMO Cc1n[nH]cc1CCCn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001304064589 1067108704 /nfs/dbraw/zinc/10/87/04/1067108704.db2.gz UNQLHYZPHVVKSS-UHFFFAOYSA-N 1 1 451.619 3.484 20 0 JGADMO Cc1n[nH]cc1CCCn1c(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001304064504 1067108733 /nfs/dbraw/zinc/10/87/33/1067108733.db2.gz QLPCNMKGKVXVIK-UHFFFAOYSA-N 1 1 478.689 3.494 20 0 JGADMO Cc1ncsc1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001304066356 1067111250 /nfs/dbraw/zinc/11/12/50/1067111250.db2.gz VKKJBLDRJGHWDZ-KRWDZBQOSA-N 1 1 473.672 3.369 20 0 JGADMO Cc1ccsc1CCn1c(Cc2cccnc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304072332 1067116778 /nfs/dbraw/zinc/11/67/78/1067116778.db2.gz YEZFZTPLMXWHKV-UHFFFAOYSA-N 1 1 454.644 3.424 20 0 JGADMO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C2CCCCC2)cnn1C ZINC001304078921 1067123748 /nfs/dbraw/zinc/12/37/48/1067123748.db2.gz MIJOSEOBGHMCLY-RUZDIDTESA-N 1 1 473.666 3.262 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001302514807 1067132289 /nfs/dbraw/zinc/13/22/89/1067132289.db2.gz SXXRAPFYJBJGQO-HOTGVXAUSA-N 1 1 484.464 3.351 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001302514811 1067132341 /nfs/dbraw/zinc/13/23/41/1067132341.db2.gz SXXRAPFYJBJGQO-JKSUJKDBSA-N 1 1 484.464 3.351 20 0 JGADMO Cc1c(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)cnn1C ZINC001304089033 1067132762 /nfs/dbraw/zinc/13/27/62/1067132762.db2.gz MWDRSNHRKHDLHS-OAQYLSRUSA-N 1 1 498.676 3.333 20 0 JGADMO CSC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001302518510 1067137986 /nfs/dbraw/zinc/13/79/86/1067137986.db2.gz KFEVXTWCRYLDLG-UHFFFAOYSA-N 1 1 457.692 3.477 20 0 JGADMO Cc1c2ccccc2oc1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304098575 1067141734 /nfs/dbraw/zinc/14/17/34/1067141734.db2.gz OKXKBUSRKYZKOT-UHFFFAOYSA-N 1 1 468.602 3.066 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCOCC1 ZINC001302522906 1067142812 /nfs/dbraw/zinc/14/28/12/1067142812.db2.gz GNZYBNPBPSZMRR-QFIPXVFZSA-N 1 1 478.726 3.018 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)N1CCOCC1 ZINC001302523378 1067144137 /nfs/dbraw/zinc/14/41/37/1067144137.db2.gz JENADBRDTQCUTM-RPWUZVMVSA-N 1 1 476.710 3.086 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302525245 1067147338 /nfs/dbraw/zinc/14/73/38/1067147338.db2.gz LYCADPPLIGCNJB-VXKWHMMOSA-N 1 1 483.661 3.488 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302525508 1067148591 /nfs/dbraw/zinc/14/85/91/1067148591.db2.gz NIAKIAPEEBOYML-RLLQIKCJSA-N 1 1 466.552 3.255 20 0 JGADMO Cc1c2ccccc2oc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304106405 1067148920 /nfs/dbraw/zinc/14/89/20/1067148920.db2.gz VNVBWRGNNZBDOZ-SFHVURJKSA-N 1 1 488.658 3.302 20 0 JGADMO Cc1c2ccccc2oc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304106404 1067148968 /nfs/dbraw/zinc/14/89/68/1067148968.db2.gz VNVBWRGNNZBDOZ-GOSISDBHSA-N 1 1 488.658 3.302 20 0 JGADMO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001302525790 1067149169 /nfs/dbraw/zinc/14/91/69/1067149169.db2.gz GFNWDBNHSCOSPK-OALUTQOASA-N 1 1 494.706 3.403 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302525973 1067149966 /nfs/dbraw/zinc/14/99/66/1067149966.db2.gz UANGTSQBUULRJG-NJYVYQBISA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1)[NH+]1CCOCC1 ZINC001302525942 1067150053 /nfs/dbraw/zinc/15/00/53/1067150053.db2.gz QNWJUIRRFPPQLN-QGZVFWFLSA-N 1 1 483.583 3.459 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001302526419 1067151163 /nfs/dbraw/zinc/15/11/63/1067151163.db2.gz VCDFFUDPHDJPSH-UTKZUKDTSA-N 1 1 465.614 3.446 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302527123 1067153075 /nfs/dbraw/zinc/15/30/75/1067153075.db2.gz XOZMJOPXSKQWEK-RTWAWAEBSA-N 1 1 476.710 3.355 20 0 JGADMO CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001302527234 1067153435 /nfs/dbraw/zinc/15/34/35/1067153435.db2.gz BBSPPHPIJDGMLK-LJQANCHMSA-N 1 1 455.525 3.255 20 0 JGADMO CSC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302528085 1067155407 /nfs/dbraw/zinc/15/54/07/1067155407.db2.gz UZRJBSNQEQOTRO-KRWDZBQOSA-N 1 1 465.614 3.447 20 0 JGADMO CC(C)[C@@H](Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001302529482 1067159007 /nfs/dbraw/zinc/15/90/07/1067159007.db2.gz YGNMUIGABSVXKE-XMSQKQJNSA-N 1 1 475.600 3.462 20 0 JGADMO CC(C)[C@H](Cn1c(N2CCC([C@](C)(O)C(F)(F)F)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001302529475 1067159117 /nfs/dbraw/zinc/15/91/17/1067159117.db2.gz YGNMUIGABSVXKE-AVRDEDQJSA-N 1 1 475.600 3.462 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001302529506 1067159148 /nfs/dbraw/zinc/15/91/48/1067159148.db2.gz YQQMLAXOZIEWNE-TZIWHRDSSA-N 1 1 476.666 3.033 20 0 JGADMO Cc1c(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1CC(C)C ZINC001304122884 1067162786 /nfs/dbraw/zinc/16/27/86/1067162786.db2.gz KAAPAOSCEDCOHE-OYRHEFFESA-N 1 1 480.661 3.019 20 0 JGADMO Cc1c(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1CC(C)C ZINC001304122884 1067162792 /nfs/dbraw/zinc/16/27/92/1067162792.db2.gz KAAPAOSCEDCOHE-OYRHEFFESA-N 1 1 480.661 3.019 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001304133955 1067173176 /nfs/dbraw/zinc/17/31/76/1067173176.db2.gz RXPLQCYLQYDCLB-HXUWFJFHSA-N 1 1 493.612 3.102 20 0 JGADMO CC(C)c1csc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001302542431 1067174110 /nfs/dbraw/zinc/17/41/10/1067174110.db2.gz UGEVZCVWSLUHNZ-SFHVURJKSA-N 1 1 459.664 3.414 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304138479 1067178887 /nfs/dbraw/zinc/17/88/87/1067178887.db2.gz FUFQEVVVJDAVSO-MHECFPHRSA-N 1 1 488.036 3.125 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304140962 1067182881 /nfs/dbraw/zinc/18/28/81/1067182881.db2.gz VHPHADULWLAJFW-NLFFAJNJSA-N 1 1 491.080 3.285 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304140962 1067182888 /nfs/dbraw/zinc/18/28/88/1067182888.db2.gz VHPHADULWLAJFW-NLFFAJNJSA-N 1 1 491.080 3.285 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCS(=O)(=O)CC2)n1CC[NH+]1CCCC1 ZINC001304143360 1067185370 /nfs/dbraw/zinc/18/53/70/1067185370.db2.gz GAPOBRMZBPZYFG-GOSISDBHSA-N 1 1 482.050 3.019 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccccc4F)n3CC[N@H+](C)C(C)C)CC2)no1 ZINC001304145724 1067188381 /nfs/dbraw/zinc/18/83/81/1067188381.db2.gz IAHOCLYNMBUVTM-UHFFFAOYSA-N 1 1 469.565 3.120 20 0 JGADMO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302560426 1067201086 /nfs/dbraw/zinc/20/10/86/1067201086.db2.gz DOWZPYWXOOQVET-PQNGQFLHSA-N 1 1 484.714 3.308 20 0 JGADMO CS[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302565834 1067205225 /nfs/dbraw/zinc/20/52/25/1067205225.db2.gz IMIVLZCYCSZVHW-RTWAWAEBSA-N 1 1 459.660 3.384 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001302569268 1067208711 /nfs/dbraw/zinc/20/87/11/1067208711.db2.gz GUKREVAZHGGYDN-RTWAWAEBSA-N 1 1 480.579 3.375 20 0 JGADMO CS[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001302570841 1067210115 /nfs/dbraw/zinc/21/01/15/1067210115.db2.gz STKQAJQUFSSPPE-LASHMREHSA-N 1 1 451.681 3.105 20 0 JGADMO Cc1cc(C)cc(CCn2c(-c3cnn(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001304163638 1067210918 /nfs/dbraw/zinc/21/09/18/1067210918.db2.gz JXBOMYUSECOADK-UHFFFAOYSA-N 1 1 465.646 3.333 20 0 JGADMO O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001304165414 1067212871 /nfs/dbraw/zinc/21/28/71/1067212871.db2.gz FYEVJFYVWYVDHB-FQEVSTJZSA-N 1 1 457.521 3.069 20 0 JGADMO CC(C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1cccc(Cn2ccnc2)c1 ZINC001302573879 1067213209 /nfs/dbraw/zinc/21/32/09/1067213209.db2.gz UXWBCHULJBQNJZ-UHFFFAOYSA-N 1 1 465.646 3.489 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304169621 1067217764 /nfs/dbraw/zinc/21/77/64/1067217764.db2.gz HOCAWWXEFRDTPR-BWAGFHJFSA-N 1 1 468.646 3.261 20 0 JGADMO CS[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)C(C)(C)C ZINC001302580528 1067218716 /nfs/dbraw/zinc/21/87/16/1067218716.db2.gz XDTUYUMMHJUJJQ-YLJYHZDGSA-N 1 1 461.680 3.146 20 0 JGADMO CS[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001302580629 1067218730 /nfs/dbraw/zinc/21/87/30/1067218730.db2.gz NWJUBEGQAOGYIM-XUVXKRRUSA-N 1 1 451.681 3.456 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001304171588 1067219730 /nfs/dbraw/zinc/21/97/30/1067219730.db2.gz SAUKTWHQHZMJMX-YADHBBJMSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC(=O)NC(C)(C)C)c1 ZINC001304172421 1067220542 /nfs/dbraw/zinc/22/05/42/1067220542.db2.gz YHCJQHHTJDZQKV-LEWJYISDSA-N 1 1 468.646 3.452 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001304178659 1067228213 /nfs/dbraw/zinc/22/82/13/1067228213.db2.gz LHPWTVOIEFBUKQ-UHFFFAOYSA-N 1 1 480.657 3.431 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1cnn(Cc2ccccc2)c1 ZINC001302593270 1067231620 /nfs/dbraw/zinc/23/16/20/1067231620.db2.gz MAGNVPJXMILBKW-UHFFFAOYSA-N 1 1 451.619 3.242 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1cnn(Cc2ccccc2)c1 ZINC001302593270 1067231625 /nfs/dbraw/zinc/23/16/25/1067231625.db2.gz MAGNVPJXMILBKW-UHFFFAOYSA-N 1 1 451.619 3.242 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304182363 1067232017 /nfs/dbraw/zinc/23/20/17/1067232017.db2.gz OFJMWDIXSKZBDU-DEOSSOPVSA-N 1 1 498.672 3.032 20 0 JGADMO CC(C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001302594667 1067232530 /nfs/dbraw/zinc/23/25/30/1067232530.db2.gz DXGHATLJBOXWAX-DEOSSOPVSA-N 1 1 454.663 3.472 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001302594947 1067232821 /nfs/dbraw/zinc/23/28/21/1067232821.db2.gz MPMBJRYBVAZTSM-CALCHBBNSA-N 1 1 474.597 3.107 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001302594947 1067232830 /nfs/dbraw/zinc/23/28/30/1067232830.db2.gz MPMBJRYBVAZTSM-CALCHBBNSA-N 1 1 474.597 3.107 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCNC(=O)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304183641 1067234313 /nfs/dbraw/zinc/23/43/13/1067234313.db2.gz XNKZMJWSHPGKBP-SZPZYZBQSA-N 1 1 468.646 3.168 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001304183487 1067234327 /nfs/dbraw/zinc/23/43/27/1067234327.db2.gz VRURFKOIPAVBHJ-HXUWFJFHSA-N 1 1 497.562 3.352 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001304183487 1067234336 /nfs/dbraw/zinc/23/43/36/1067234336.db2.gz VRURFKOIPAVBHJ-HXUWFJFHSA-N 1 1 497.562 3.352 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304185036 1067235758 /nfs/dbraw/zinc/23/57/58/1067235758.db2.gz SBKJHOBQFZHHSO-SZPZYZBQSA-N 1 1 489.686 3.077 20 0 JGADMO CSC1(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCC1 ZINC001302599621 1067236171 /nfs/dbraw/zinc/23/61/71/1067236171.db2.gz AGSAAKHZCSUJPN-HXUWFJFHSA-N 1 1 459.660 3.249 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001304191596 1067241784 /nfs/dbraw/zinc/24/17/84/1067241784.db2.gz DIDQPYSVSOBWKW-GOSISDBHSA-N 1 1 470.643 3.014 20 0 JGADMO Cc1cc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CC=CCC2)no1 ZINC001304198116 1067247729 /nfs/dbraw/zinc/24/77/29/1067247729.db2.gz AVYVDCNABCICJN-UHFFFAOYSA-N 1 1 460.380 3.241 20 0 JGADMO Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2CCCO[C@H](C)C2)no1 ZINC001304199329 1067249634 /nfs/dbraw/zinc/24/96/34/1067249634.db2.gz YBGZYTAKYVSBQE-MRXNPFEDSA-N 1 1 492.422 3.469 20 0 JGADMO Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304206449 1067252237 /nfs/dbraw/zinc/25/22/37/1067252237.db2.gz WRXMBHPFBJDXPW-HSZRJFAPSA-N 1 1 461.614 3.228 20 0 JGADMO Cc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001304211174 1067255011 /nfs/dbraw/zinc/25/50/11/1067255011.db2.gz LZAAARNUHQQBSY-UZINWLIJSA-N 1 1 484.645 3.060 20 0 JGADMO C[C@@]1(NC(=O)CNS(=O)(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304219538 1067260915 /nfs/dbraw/zinc/26/09/15/1067260915.db2.gz ZFXCTLPNDCQYHH-AZGAKELHSA-N 1 1 463.603 3.139 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001304232116 1067269349 /nfs/dbraw/zinc/26/93/49/1067269349.db2.gz CBRPHDJODIFEQE-OAQYLSRUSA-N 1 1 489.064 3.451 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001302651782 1067278010 /nfs/dbraw/zinc/27/80/10/1067278010.db2.gz DQSPJIAYGPDRCS-LEWJYISDSA-N 1 1 468.712 3.164 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302654293 1067282054 /nfs/dbraw/zinc/28/20/54/1067282054.db2.gz GBQBNLVXGWYCQP-LEWJYISDSA-N 1 1 478.682 3.380 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(-c3ccc[nH]3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001304249875 1067285446 /nfs/dbraw/zinc/28/54/46/1067285446.db2.gz LDTDNVDURWHNRV-UHFFFAOYSA-N 1 1 451.619 3.123 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304249875 1067285454 /nfs/dbraw/zinc/28/54/54/1067285454.db2.gz LDTDNVDURWHNRV-UHFFFAOYSA-N 1 1 451.619 3.123 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304249875 1067285466 /nfs/dbraw/zinc/28/54/66/1067285466.db2.gz LDTDNVDURWHNRV-UHFFFAOYSA-N 1 1 451.619 3.123 20 0 JGADMO CSc1ccccc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302658695 1067286066 /nfs/dbraw/zinc/28/60/66/1067286066.db2.gz OFOHXJRBBKLLOP-XLIONFOSSA-N 1 1 494.731 3.367 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302658714 1067286774 /nfs/dbraw/zinc/28/67/74/1067286774.db2.gz OODQBGDBRXFMBO-HXUWFJFHSA-N 1 1 486.686 3.373 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001304254594 1067289517 /nfs/dbraw/zinc/28/95/17/1067289517.db2.gz VZHCZGAHEZOPQB-UHFFFAOYSA-N 1 1 464.614 3.198 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001304254594 1067289523 /nfs/dbraw/zinc/28/95/23/1067289523.db2.gz VZHCZGAHEZOPQB-UHFFFAOYSA-N 1 1 464.614 3.198 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304259432 1067293747 /nfs/dbraw/zinc/29/37/47/1067293747.db2.gz YXLFYNDQYJAKOI-SZPZYZBQSA-N 1 1 498.672 3.112 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001302668806 1067295632 /nfs/dbraw/zinc/29/56/32/1067295632.db2.gz NKODMDCJWPJUAT-NRFANRHFSA-N 1 1 477.078 3.485 20 0 JGADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC001302673221 1067298835 /nfs/dbraw/zinc/29/88/35/1067298835.db2.gz KTLVLKRSARYUSN-GOTSBHOMSA-N 1 1 453.583 3.419 20 0 JGADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC001302673219 1067298976 /nfs/dbraw/zinc/29/89/76/1067298976.db2.gz KTLVLKRSARYUSN-DHIUTWEWSA-N 1 1 453.583 3.419 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001302673992 1067299973 /nfs/dbraw/zinc/29/99/73/1067299973.db2.gz KZKGNFOBRQKSGK-UHFFFAOYSA-N 1 1 484.645 3.339 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CC(C)(C)O)c1 ZINC001304268680 1067302407 /nfs/dbraw/zinc/30/24/07/1067302407.db2.gz NRXHEVMIZVUGBD-SANMLTNESA-N 1 1 471.646 3.361 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)cc1 ZINC001304268794 1067302862 /nfs/dbraw/zinc/30/28/62/1067302862.db2.gz NDWOQVQZKIUDPU-FQEVSTJZSA-N 1 1 468.646 3.004 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302678549 1067304459 /nfs/dbraw/zinc/30/44/59/1067304459.db2.gz OKOAVDPOHPNYCW-FCHUYYIVSA-N 1 1 458.676 3.223 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CC(F)(F)F)c1 ZINC001304273854 1067310357 /nfs/dbraw/zinc/31/03/57/1067310357.db2.gz QWJCTDPHMAROQB-QGZVFWFLSA-N 1 1 453.509 3.372 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CC(F)(F)F)c1 ZINC001304273854 1067310371 /nfs/dbraw/zinc/31/03/71/1067310371.db2.gz QWJCTDPHMAROQB-QGZVFWFLSA-N 1 1 453.509 3.372 20 0 JGADMO CC(C)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302685920 1067311139 /nfs/dbraw/zinc/31/11/39/1067311139.db2.gz UNSVXLOYOHBDIC-GOSISDBHSA-N 1 1 482.460 3.277 20 0 JGADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC001302687219 1067312274 /nfs/dbraw/zinc/31/22/74/1067312274.db2.gz GTECNLQOOZFWOL-NFBKMPQASA-N 1 1 455.605 3.424 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001304276462 1067314641 /nfs/dbraw/zinc/31/46/41/1067314641.db2.gz YUICJBMLINRVNL-LJQANCHMSA-N 1 1 465.602 3.161 20 0 JGADMO Cc1ccc([C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)cc1 ZINC001304277820 1067316820 /nfs/dbraw/zinc/31/68/20/1067316820.db2.gz FZTFRIAWONECEQ-WOJBJXKFSA-N 1 1 481.613 3.417 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001302692171 1067317635 /nfs/dbraw/zinc/31/76/35/1067317635.db2.gz GXFPKTQSJXFBKT-UXHICEINSA-N 1 1 454.610 3.068 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C)ccc4C)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304278176 1067317581 /nfs/dbraw/zinc/31/75/81/1067317581.db2.gz LMIMDOJBXIPTNP-UHFFFAOYSA-N 1 1 464.662 3.423 20 0 JGADMO Cc1ncsc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001304279623 1067320276 /nfs/dbraw/zinc/32/02/76/1067320276.db2.gz YAUZPJOUXRASOX-WOJBJXKFSA-N 1 1 488.683 3.193 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccn3)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001304280116 1067320443 /nfs/dbraw/zinc/32/04/43/1067320443.db2.gz RKLLQDJYBXGHDD-NRFANRHFSA-N 1 1 464.614 3.474 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304279979 1067320499 /nfs/dbraw/zinc/32/04/99/1067320499.db2.gz MPZWUBWTOLEKFT-HSZRJFAPSA-N 1 1 481.645 3.201 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC001304281456 1067322321 /nfs/dbraw/zinc/32/23/21/1067322321.db2.gz BAXOVBMTYLOHQT-HXUWFJFHSA-N 1 1 468.646 3.309 20 0 JGADMO CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001302697760 1067322953 /nfs/dbraw/zinc/32/29/53/1067322953.db2.gz IDOCMITYHDXDDC-UPVQGACJSA-N 1 1 454.663 3.328 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001304283194 1067324017 /nfs/dbraw/zinc/32/40/17/1067324017.db2.gz RGYZLOSVBBQRAB-FGZHOGPDSA-N 1 1 468.646 3.154 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCC(=O)NC(C)C)c1 ZINC001304283304 1067324505 /nfs/dbraw/zinc/32/45/05/1067324505.db2.gz UGEDMCFRSAYKFQ-RTWAWAEBSA-N 1 1 454.619 3.062 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC3CCOCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001304283516 1067324643 /nfs/dbraw/zinc/32/46/43/1067324643.db2.gz VDIJNFGGHOBOGU-UHFFFAOYSA-N 1 1 484.689 3.363 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304284195 1067325404 /nfs/dbraw/zinc/32/54/04/1067325404.db2.gz ORMQKKNLGPNBFE-FGZHOGPDSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304284193 1067325528 /nfs/dbraw/zinc/32/55/28/1067325528.db2.gz ORMQKKNLGPNBFE-FCHUYYIVSA-N 1 1 457.619 3.056 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302702001 1067326213 /nfs/dbraw/zinc/32/62/13/1067326213.db2.gz OOVKTJQTPYWHIX-LEWJYISDSA-N 1 1 456.660 3.450 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCOC(C)(C)C)c1 ZINC001304284619 1067326175 /nfs/dbraw/zinc/32/61/75/1067326175.db2.gz AVJSMYJQBHPMMN-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001304286269 1067327531 /nfs/dbraw/zinc/32/75/31/1067327531.db2.gz BQXZJINBLSHYMC-AUSIDOKSSA-N 1 1 497.562 3.088 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001304286273 1067328005 /nfs/dbraw/zinc/32/80/05/1067328005.db2.gz BQXZJINBLSHYMC-WMZHIEFXSA-N 1 1 497.562 3.088 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001304287614 1067330331 /nfs/dbraw/zinc/33/03/31/1067330331.db2.gz TWYWLIBKSJGKLN-OAQYLSRUSA-N 1 1 457.619 3.200 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001304288083 1067331344 /nfs/dbraw/zinc/33/13/44/1067331344.db2.gz QLXMUCYGYANQAF-LVXARBLLSA-N 1 1 471.646 3.324 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001302712661 1067333153 /nfs/dbraw/zinc/33/31/53/1067333153.db2.gz PLGXZNBGONWMRY-DLBZAZTESA-N 1 1 454.604 3.277 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304289357 1067334483 /nfs/dbraw/zinc/33/44/83/1067334483.db2.gz RMUQIEHDRBUSBB-NRFANRHFSA-N 1 1 457.619 3.200 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304289388 1067335196 /nfs/dbraw/zinc/33/51/96/1067335196.db2.gz XPESJZRJVUPULC-FPOVZHCZSA-N 1 1 457.575 3.318 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@@H+]1CCOCC1(C)C ZINC001302720034 1067336271 /nfs/dbraw/zinc/33/62/71/1067336271.db2.gz RHFPCGKDFXVUBR-SFHVURJKSA-N 1 1 475.659 3.405 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@H+]1CCOCC1(C)C ZINC001302720034 1067336283 /nfs/dbraw/zinc/33/62/83/1067336283.db2.gz RHFPCGKDFXVUBR-SFHVURJKSA-N 1 1 475.659 3.405 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001304290218 1067336648 /nfs/dbraw/zinc/33/66/48/1067336648.db2.gz AUGHFBNTPAREPC-JOCHJYFZSA-N 1 1 471.646 3.326 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCS(=O)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001304291362 1067339284 /nfs/dbraw/zinc/33/92/84/1067339284.db2.gz OVQGNQGDMNOJDN-NRFANRHFSA-N 1 1 459.660 3.307 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302724023 1067339388 /nfs/dbraw/zinc/33/93/88/1067339388.db2.gz OBFOCTJHJIOUEF-QZTJIDSGSA-N 1 1 478.663 3.085 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)o1 ZINC001304294323 1067343535 /nfs/dbraw/zinc/34/35/35/1067343535.db2.gz OTKGQLJGHKRESL-QZTJIDSGSA-N 1 1 471.627 3.163 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)o1 ZINC001304294323 1067343546 /nfs/dbraw/zinc/34/35/46/1067343546.db2.gz OTKGQLJGHKRESL-QZTJIDSGSA-N 1 1 471.627 3.163 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001304295541 1067344529 /nfs/dbraw/zinc/34/45/29/1067344529.db2.gz DOCVMCXTZKLOCT-JFRXWTBNSA-N 1 1 451.637 3.225 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC001304297731 1067346919 /nfs/dbraw/zinc/34/69/19/1067346919.db2.gz OFLDWXZRMRWNIJ-ZWKOTPCHSA-N 1 1 477.606 3.375 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC001304297731 1067346925 /nfs/dbraw/zinc/34/69/25/1067346925.db2.gz OFLDWXZRMRWNIJ-ZWKOTPCHSA-N 1 1 477.606 3.375 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302732538 1067347041 /nfs/dbraw/zinc/34/70/41/1067347041.db2.gz WFZMTWCIABXYCO-RLWLMLJZSA-N 1 1 490.693 3.332 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCC(=O)NC(C)C)o1 ZINC001304299462 1067349090 /nfs/dbraw/zinc/34/90/90/1067349090.db2.gz ZYYULDRVGHBJFO-NRFANRHFSA-N 1 1 450.587 3.472 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CCC[NH+]2CCOCC2)cc1Br ZINC001304299416 1067349131 /nfs/dbraw/zinc/34/91/31/1067349131.db2.gz ALCVBEBPOJZVME-UHFFFAOYSA-N 1 1 488.434 3.108 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1Br ZINC001304301224 1067349919 /nfs/dbraw/zinc/34/99/19/1067349919.db2.gz RJAAMESTIQOCIF-QFIPXVFZSA-N 1 1 471.403 3.114 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302743239 1067353097 /nfs/dbraw/zinc/35/30/97/1067353097.db2.gz JYWFZUZWTXKPQH-RTWAWAEBSA-N 1 1 458.676 3.498 20 0 JGADMO CSCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001302745598 1067354460 /nfs/dbraw/zinc/35/44/60/1067354460.db2.gz LLHRDLDIJZUEQY-ZVDOUQERSA-N 1 1 478.707 3.088 20 0 JGADMO CSCCCCCn1c(-c2cnccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001302746615 1067354891 /nfs/dbraw/zinc/35/48/91/1067354891.db2.gz QQWAJAMYWOKXOS-UHFFFAOYSA-N 1 1 472.707 3.263 20 0 JGADMO Cc1ccc(-c2nnc(N(CCO)Cc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001304307476 1067355145 /nfs/dbraw/zinc/35/51/45/1067355145.db2.gz UEGTWEKAQXPOKJ-JOCHJYFZSA-N 1 1 453.587 3.202 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)o1 ZINC001304309072 1067356019 /nfs/dbraw/zinc/35/60/19/1067356019.db2.gz TWGMZZUVHAVTNY-UHFFFAOYSA-N 1 1 471.627 3.164 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)o1 ZINC001304309072 1067356030 /nfs/dbraw/zinc/35/60/30/1067356030.db2.gz TWGMZZUVHAVTNY-UHFFFAOYSA-N 1 1 471.627 3.164 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001304314365 1067361822 /nfs/dbraw/zinc/36/18/22/1067361822.db2.gz BCRFCGKEDZZLMS-OAQYLSRUSA-N 1 1 472.634 3.183 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC001304315929 1067363521 /nfs/dbraw/zinc/36/35/21/1067363521.db2.gz GVBLJRULGQKMIA-OAQYLSRUSA-N 1 1 471.627 3.358 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001304317619 1067364955 /nfs/dbraw/zinc/36/49/55/1067364955.db2.gz SLZZVKZVQQYDGL-HSZRJFAPSA-N 1 1 489.462 3.463 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001304317620 1067365048 /nfs/dbraw/zinc/36/50/48/1067365048.db2.gz SLZZVKZVQQYDGL-QHCPKHFHSA-N 1 1 489.462 3.463 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304317969 1067365568 /nfs/dbraw/zinc/36/55/68/1067365568.db2.gz UIQIGBASLBJACW-RXVVDRJESA-N 1 1 471.627 3.380 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001304318984 1067366509 /nfs/dbraw/zinc/36/65/09/1067366509.db2.gz VCOCYCRWGPAWMP-SANMLTNESA-N 1 1 486.661 3.168 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001304318984 1067366520 /nfs/dbraw/zinc/36/65/20/1067366520.db2.gz VCOCYCRWGPAWMP-SANMLTNESA-N 1 1 486.661 3.168 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302771795 1067369323 /nfs/dbraw/zinc/36/93/23/1067369323.db2.gz CVMHLAZYYLOZLQ-DLBZAZTESA-N 1 1 498.491 3.477 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CC=CCC2)CCS1 ZINC001302772041 1067369733 /nfs/dbraw/zinc/36/97/33/1067369733.db2.gz ITENHJSTHSPSNX-NRFANRHFSA-N 1 1 475.684 3.188 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001302772041 1067369746 /nfs/dbraw/zinc/36/97/46/1067369746.db2.gz ITENHJSTHSPSNX-NRFANRHFSA-N 1 1 475.684 3.188 20 0 JGADMO CSCCCCn1c(CC2CCCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001302773400 1067371048 /nfs/dbraw/zinc/37/10/48/1067371048.db2.gz BKYIVENQKJUWMA-UHFFFAOYSA-N 1 1 462.708 3.289 20 0 JGADMO CSCCCCn1c(CC2CCCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001302773400 1067371058 /nfs/dbraw/zinc/37/10/58/1067371058.db2.gz BKYIVENQKJUWMA-UHFFFAOYSA-N 1 1 462.708 3.289 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)C1 ZINC001304323496 1067371286 /nfs/dbraw/zinc/37/12/86/1067371286.db2.gz KCSZECDGYLOWST-UHFFFAOYSA-N 1 1 486.418 3.280 20 0 JGADMO CSCCCN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302782864 1067376582 /nfs/dbraw/zinc/37/65/82/1067376582.db2.gz HDPVRADZODYOAU-OAQYLSRUSA-N 1 1 454.644 3.088 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302787472 1067379357 /nfs/dbraw/zinc/37/93/57/1067379357.db2.gz HNRNUEUVJGGLEC-UNMCSNQZSA-N 1 1 478.037 3.219 20 0 JGADMO Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C3CCCC3)CC2)c(C)c1 ZINC001304332744 1067379940 /nfs/dbraw/zinc/37/99/40/1067379940.db2.gz GVRAJPCBTAUCMD-NRFANRHFSA-N 1 1 488.702 3.203 20 0 JGADMO Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2cc[nH+]c2C)o1 ZINC001304339470 1067384983 /nfs/dbraw/zinc/38/49/83/1067384983.db2.gz XEHRXQKKSJYVTB-UHFFFAOYSA-N 1 1 468.583 3.482 20 0 JGADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302794672 1067385395 /nfs/dbraw/zinc/38/53/95/1067385395.db2.gz BKELWWYWGXWVIR-UNMCSNQZSA-N 1 1 458.651 3.282 20 0 JGADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302794672 1067385405 /nfs/dbraw/zinc/38/54/05/1067385405.db2.gz BKELWWYWGXWVIR-UNMCSNQZSA-N 1 1 458.651 3.282 20 0 JGADMO CSCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cc[nH+]c1C ZINC001302795607 1067385749 /nfs/dbraw/zinc/38/57/49/1067385749.db2.gz UXLFTGBZRMKZPJ-HDICACEKSA-N 1 1 463.652 3.443 20 0 JGADMO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOc3ccccc3)CC2)c(=O)n1C ZINC001304361272 1067399579 /nfs/dbraw/zinc/39/95/79/1067399579.db2.gz RGXBAYNBEXPCPM-UHFFFAOYSA-N 1 1 478.641 3.123 20 0 JGADMO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC001302813480 1067400749 /nfs/dbraw/zinc/40/07/49/1067400749.db2.gz YDMRJBDATCBSGH-ILBGXUMGSA-N 1 1 479.673 3.116 20 0 JGADMO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001302814615 1067401384 /nfs/dbraw/zinc/40/13/84/1067401384.db2.gz XXSQTNOFCCFXSM-JBACZVJFSA-N 1 1 456.660 3.472 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304364946 1067403227 /nfs/dbraw/zinc/40/32/27/1067403227.db2.gz JMWCUQPZHSTXBU-PXNSSMCTSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCOC(C)C)cc1C ZINC001304375138 1067414774 /nfs/dbraw/zinc/41/47/74/1067414774.db2.gz KNZBCPZNTRRPAS-UHFFFAOYSA-N 1 1 472.634 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCOC(C)C)cc1C ZINC001304375138 1067414779 /nfs/dbraw/zinc/41/47/79/1067414779.db2.gz KNZBCPZNTRRPAS-UHFFFAOYSA-N 1 1 472.634 3.119 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302834703 1067421791 /nfs/dbraw/zinc/42/17/91/1067421791.db2.gz CTSPUJZIASZRLT-SFTDATJTSA-N 1 1 454.667 3.492 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC001304378539 1067422367 /nfs/dbraw/zinc/42/23/67/1067422367.db2.gz NWJHMQGFYXCGOY-FUDKSRODSA-N 1 1 468.646 3.476 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001304379669 1067425521 /nfs/dbraw/zinc/42/55/21/1067425521.db2.gz LTZFJDPXKOCIQS-JOCHJYFZSA-N 1 1 479.412 3.113 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001304379873 1067425844 /nfs/dbraw/zinc/42/58/44/1067425844.db2.gz VPPDXYWZODAAER-DNVFCKCGSA-N 1 1 468.646 3.476 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC=CCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC001304380401 1067428482 /nfs/dbraw/zinc/42/84/82/1067428482.db2.gz ZUHSFMIXGGZXOQ-JOCHJYFZSA-N 1 1 452.603 3.150 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302846805 1067432151 /nfs/dbraw/zinc/43/21/51/1067432151.db2.gz XXNWGOCSWGJHJE-XFSFLGPDSA-N 1 1 461.676 3.207 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302847931 1067433614 /nfs/dbraw/zinc/43/36/14/1067433614.db2.gz AMVDOCYXHBFUGV-KRWDZBQOSA-N 1 1 473.647 3.180 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CCC[N@H+](C)C(C)C)C2)nc1 ZINC001304386991 1067441761 /nfs/dbraw/zinc/44/17/61/1067441761.db2.gz MYKLRHUFVPULIO-LEWJYISDSA-N 1 1 469.634 3.071 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H]4CCOC4)n3CCC[N@H+](C)C(C)C)C2)nc1 ZINC001304386994 1067442282 /nfs/dbraw/zinc/44/22/82/1067442282.db2.gz MYKLRHUFVPULIO-SFTDATJTSA-N 1 1 469.634 3.071 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)C2)nc1 ZINC001304387552 1067443500 /nfs/dbraw/zinc/44/35/00/1067443500.db2.gz RVWOWLLVBGKMCO-FGZHOGPDSA-N 1 1 483.661 3.461 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1F ZINC001302862148 1067444661 /nfs/dbraw/zinc/44/46/61/1067444661.db2.gz BYFZJFVSWLYEGU-APWZRJJASA-N 1 1 451.974 3.416 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1F ZINC001302862148 1067444662 /nfs/dbraw/zinc/44/46/62/1067444662.db2.gz BYFZJFVSWLYEGU-APWZRJJASA-N 1 1 451.974 3.416 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1F ZINC001302862393 1067445094 /nfs/dbraw/zinc/44/50/94/1067445094.db2.gz HZZJWVQORUBMLM-NQIIRXRSSA-N 1 1 462.589 3.064 20 0 JGADMO Cc1ccc(NC(=O)C2CCN(c3nnc([C@H]4CCCO4)n3CCC[N@H+](C)C(C)C)CC2)nc1 ZINC001304388275 1067445515 /nfs/dbraw/zinc/44/55/15/1067445515.db2.gz APCRLGRWZXHYFO-OAQYLSRUSA-N 1 1 469.634 3.418 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCCOC1CCOCC1 ZINC001302865678 1067446696 /nfs/dbraw/zinc/44/66/96/1067446696.db2.gz CGBBXHDDAFYAFB-HXUWFJFHSA-N 1 1 463.667 3.142 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@@H+](C)C2CCCC2)n1 ZINC001304388638 1067447054 /nfs/dbraw/zinc/44/70/54/1067447054.db2.gz DODJOLIAXXPQEL-UHFFFAOYSA-N 1 1 478.645 3.397 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C(=O)N2CCCC2)n1CCCOC(F)(F)F ZINC001302866465 1067447750 /nfs/dbraw/zinc/44/77/50/1067447750.db2.gz NVUZLPWTNCEGTF-GOSISDBHSA-N 1 1 480.535 3.151 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C(=O)N2CCCC2)n1CC(F)(F)Br ZINC001302867448 1067448329 /nfs/dbraw/zinc/44/83/29/1067448329.db2.gz VTAQMHCNPVWWMW-MRXNPFEDSA-N 1 1 497.388 3.213 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc[nH]2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001302867406 1067448362 /nfs/dbraw/zinc/44/83/62/1067448362.db2.gz UWDKDUJZNJERGN-GOSISDBHSA-N 1 1 487.649 3.266 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCOC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001302867467 1067448376 /nfs/dbraw/zinc/44/83/76/1067448376.db2.gz WFQQOHCVKZFACM-IRLDBZIGSA-N 1 1 484.645 3.360 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCOC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001302867464 1067448395 /nfs/dbraw/zinc/44/83/95/1067448395.db2.gz WFQQOHCVKZFACM-IFMALSPDSA-N 1 1 484.645 3.360 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(-c2cccn2C)n1CCSCCCO ZINC001302867870 1067448969 /nfs/dbraw/zinc/44/89/69/1067448969.db2.gz ZGWIADOULPHEPT-HXUWFJFHSA-N 1 1 454.644 3.110 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001304389757 1067449420 /nfs/dbraw/zinc/44/94/20/1067449420.db2.gz QDQKWCXNAFTYCM-FQEVSTJZSA-N 1 1 464.618 3.006 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001304389855 1067449466 /nfs/dbraw/zinc/44/94/66/1067449466.db2.gz QYBLKWXZCPCGLG-UHFFFAOYSA-N 1 1 458.570 3.242 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302871273 1067452225 /nfs/dbraw/zinc/45/22/25/1067452225.db2.gz ACYNMTWIGYEWEK-QGZVFWFLSA-N 1 1 459.557 3.325 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302872296 1067455052 /nfs/dbraw/zinc/45/50/52/1067455052.db2.gz KUCYQROTPRJAAS-FQEVSTJZSA-N 1 1 459.660 3.484 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001304399641 1067462806 /nfs/dbraw/zinc/46/28/06/1067462806.db2.gz HICWXNQSERHKQC-JTHBVZDNSA-N 1 1 457.619 3.139 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@](C)(O)c1ccccc1Cl ZINC001302881621 1067462961 /nfs/dbraw/zinc/46/29/61/1067462961.db2.gz IHSFBJWYTQOXPV-ZEQRLZLVSA-N 1 1 462.038 3.339 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001304403271 1067465305 /nfs/dbraw/zinc/46/53/05/1067465305.db2.gz DLEHKFLUSHPMJY-SZPZYZBQSA-N 1 1 481.645 3.224 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001304403008 1067465321 /nfs/dbraw/zinc/46/53/21/1067465321.db2.gz CPUXHPIRXVFJTR-RUZDIDTESA-N 1 1 459.635 3.120 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001304403008 1067465325 /nfs/dbraw/zinc/46/53/25/1067465325.db2.gz CPUXHPIRXVFJTR-RUZDIDTESA-N 1 1 459.635 3.120 20 0 JGADMO CC(C)Cc1nnc(N2CCC(CCCN3CCOCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302889678 1067469180 /nfs/dbraw/zinc/46/91/80/1067469180.db2.gz NUXNMMRXBYFDAV-UHFFFAOYSA-N 1 1 490.737 3.041 20 0 JGADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CC(=O)NCC(F)F ZINC001302889447 1067469205 /nfs/dbraw/zinc/46/92/05/1067469205.db2.gz MVCPDLZIAJLTLG-GOSISDBHSA-N 1 1 454.610 3.339 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC001302891930 1067471121 /nfs/dbraw/zinc/47/11/21/1067471121.db2.gz CLFOAYFCFMFZKH-OYRHEFFESA-N 1 1 455.651 3.088 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCN1S(C)(=O)=O ZINC001302892147 1067472115 /nfs/dbraw/zinc/47/21/15/1067472115.db2.gz FELCZUHFGYFZGQ-UNMCSNQZSA-N 1 1 488.702 3.001 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccccc1Br ZINC001302892550 1067473000 /nfs/dbraw/zinc/47/30/00/1067473000.db2.gz IXTZXFGOUREAET-GOSISDBHSA-N 1 1 462.436 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001304409248 1067474769 /nfs/dbraw/zinc/47/47/69/1067474769.db2.gz ZFAVAJOPUFOKKT-UGKGYDQZSA-N 1 1 468.646 3.298 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001304411025 1067478279 /nfs/dbraw/zinc/47/82/79/1067478279.db2.gz NYLWTEVPDWCTNL-NRFANRHFSA-N 1 1 468.646 3.391 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001304411581 1067479530 /nfs/dbraw/zinc/47/95/30/1067479530.db2.gz DLQHAVOYPXDLFP-RUZDIDTESA-N 1 1 489.686 3.219 20 0 JGADMO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302900235 1067482946 /nfs/dbraw/zinc/48/29/46/1067482946.db2.gz UBYHGQBLNSSCKG-UHFFFAOYSA-N 1 1 483.661 3.378 20 0 JGADMO CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302900235 1067482948 /nfs/dbraw/zinc/48/29/48/1067482948.db2.gz UBYHGQBLNSSCKG-UHFFFAOYSA-N 1 1 483.661 3.378 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(Cc4ccsc4)n3CCCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001302901526 1067485518 /nfs/dbraw/zinc/48/55/18/1067485518.db2.gz LEIZFCGWEVIBBU-BGYRXZFFSA-N 1 1 488.702 3.124 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCOCC(F)(F)C(F)F ZINC001302901809 1067486072 /nfs/dbraw/zinc/48/60/72/1067486072.db2.gz QCWDUKPAUIAELG-INIZCTEOSA-N 1 1 479.563 3.473 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302902190 1067486955 /nfs/dbraw/zinc/48/69/55/1067486955.db2.gz YBQPABBTPCJVRA-VWPQPMDRSA-N 1 1 495.734 3.332 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@H]4CCCOC4)n3CCCOC(F)(F)F)CC2)C[C@H](C)O1 ZINC001302902234 1067486979 /nfs/dbraw/zinc/48/69/79/1067486979.db2.gz ZMVIAIOAHAOWSN-NSHGMRRFSA-N 1 1 489.583 3.424 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCNC(=O)C2CC2)cc1C ZINC001304416441 1067488232 /nfs/dbraw/zinc/48/82/32/1067488232.db2.gz LVJHOMFTZJYBCQ-UHFFFAOYSA-N 1 1 468.646 3.311 20 0 JGADMO Cc1noc(CCCn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001304416447 1067488683 /nfs/dbraw/zinc/48/86/83/1067488683.db2.gz LZHMJEGWGULZAS-UHFFFAOYSA-N 1 1 453.591 3.410 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2CCCc2cccc(F)c2)C[C@H](C)O1 ZINC001302904880 1067488998 /nfs/dbraw/zinc/48/89/98/1067488998.db2.gz BXUVBSWGJWWLGG-RZUBCFFCSA-N 1 1 459.610 3.489 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2CCCc2cccc(F)c2)C[C@H](C)O1 ZINC001302904880 1067489003 /nfs/dbraw/zinc/48/90/03/1067489003.db2.gz BXUVBSWGJWWLGG-RZUBCFFCSA-N 1 1 459.610 3.489 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccn3)n2CCCOc2ccccc2)C[C@H](C)O1 ZINC001302904890 1067489213 /nfs/dbraw/zinc/48/92/13/1067489213.db2.gz CEXZUUSFWBJTJG-OYRHEFFESA-N 1 1 450.587 3.355 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccn3)n2CCCOc2ccccc2)C[C@H](C)O1 ZINC001302904890 1067489215 /nfs/dbraw/zinc/48/92/15/1067489215.db2.gz CEXZUUSFWBJTJG-OYRHEFFESA-N 1 1 450.587 3.355 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCC3)n2CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC001302905063 1067489741 /nfs/dbraw/zinc/48/97/41/1067489741.db2.gz FWLISKOPOGPVFC-BGYRXZFFSA-N 1 1 468.646 3.036 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCC3)n2CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC001302905063 1067489746 /nfs/dbraw/zinc/48/97/46/1067489746.db2.gz FWLISKOPOGPVFC-BGYRXZFFSA-N 1 1 468.646 3.036 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2CCc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001302905353 1067490372 /nfs/dbraw/zinc/49/03/72/1067490372.db2.gz MAGRAANBNNYSKI-WSTZPKSXSA-N 1 1 463.573 3.238 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2CCc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001302905353 1067490377 /nfs/dbraw/zinc/49/03/77/1067490377.db2.gz MAGRAANBNNYSKI-WSTZPKSXSA-N 1 1 463.573 3.238 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302905952 1067490751 /nfs/dbraw/zinc/49/07/51/1067490751.db2.gz WJFXZFNDHFXKTE-GFMPLVLUSA-N 1 1 463.667 3.396 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302905952 1067490758 /nfs/dbraw/zinc/49/07/58/1067490758.db2.gz WJFXZFNDHFXKTE-GFMPLVLUSA-N 1 1 463.667 3.396 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC001302905683 1067490832 /nfs/dbraw/zinc/49/08/32/1067490832.db2.gz UQVPYKOZEVDKTA-IMSXRSKXSA-N 1 1 498.672 3.010 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC001302905683 1067490839 /nfs/dbraw/zinc/49/08/39/1067490839.db2.gz UQVPYKOZEVDKTA-IMSXRSKXSA-N 1 1 498.672 3.010 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001304418070 1067491291 /nfs/dbraw/zinc/49/12/91/1067491291.db2.gz BFKMBYWOAFJJQY-UHFFFAOYSA-N 1 1 482.654 3.418 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccccc2Cl)C[C@H](C)O1 ZINC001302905984 1067491403 /nfs/dbraw/zinc/49/14/03/1067491403.db2.gz XFDHQDFZVVUYGV-HHJKRLRDSA-N 1 1 487.048 3.390 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccccc2Cl)C[C@H](C)O1 ZINC001302905984 1067491405 /nfs/dbraw/zinc/49/14/05/1067491405.db2.gz XFDHQDFZVVUYGV-HHJKRLRDSA-N 1 1 487.048 3.390 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001304419052 1067493201 /nfs/dbraw/zinc/49/32/01/1067493201.db2.gz VGFYGJBWBIPQBO-UHFFFAOYSA-N 1 1 483.705 3.030 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001304419052 1067493205 /nfs/dbraw/zinc/49/32/05/1067493205.db2.gz VGFYGJBWBIPQBO-UHFFFAOYSA-N 1 1 483.705 3.030 20 0 JGADMO CC(C)Cc1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001302909225 1067493990 /nfs/dbraw/zinc/49/39/90/1067493990.db2.gz ZHLHJHQXROSQBG-UHFFFAOYSA-N 1 1 452.647 3.447 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001304419549 1067494537 /nfs/dbraw/zinc/49/45/37/1067494537.db2.gz YLTOAVVWHRBSBB-FCHUYYIVSA-N 1 1 468.646 3.345 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccc3F)n2C[C@@H]2CSCCS2)C[C@H](C)O1 ZINC001302909375 1067494663 /nfs/dbraw/zinc/49/46/63/1067494663.db2.gz QGVDGFYQMHNHEZ-WSTZPKSXSA-N 1 1 479.691 3.402 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccc3F)n2C[C@@H]2CSCCS2)C[C@H](C)O1 ZINC001302909375 1067494666 /nfs/dbraw/zinc/49/46/66/1067494666.db2.gz QGVDGFYQMHNHEZ-WSTZPKSXSA-N 1 1 479.691 3.402 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(CC(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302915696 1067499538 /nfs/dbraw/zinc/49/95/38/1067499538.db2.gz UEQLSMXSHLIPHZ-UGKGYDQZSA-N 1 1 455.647 3.485 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304423149 1067500032 /nfs/dbraw/zinc/50/00/32/1067500032.db2.gz AZNATKBEVLPIAL-SFTDATJTSA-N 1 1 486.661 3.128 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001304423498 1067500346 /nfs/dbraw/zinc/50/03/46/1067500346.db2.gz GTDVEOIQFLCACB-UHFFFAOYSA-N 1 1 454.619 3.212 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302918942 1067500675 /nfs/dbraw/zinc/50/06/75/1067500675.db2.gz IEAKCAXWLWDEAJ-BDTNDASRSA-N 1 1 465.708 3.392 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302921109 1067501985 /nfs/dbraw/zinc/50/19/85/1067501985.db2.gz VXCUNOXRKASPNZ-PMVMPFDFSA-N 1 1 452.647 3.479 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001304425127 1067502093 /nfs/dbraw/zinc/50/20/93/1067502093.db2.gz LGKZKYJALLKXOF-NRFANRHFSA-N 1 1 454.619 3.004 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001304426094 1067504072 /nfs/dbraw/zinc/50/40/72/1067504072.db2.gz WNMBIHAXEJNNHP-YKSBVNFPSA-N 1 1 471.646 3.303 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302928274 1067505812 /nfs/dbraw/zinc/50/58/12/1067505812.db2.gz DNUHEENUUZOXNW-SFTDATJTSA-N 1 1 462.683 3.203 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001302937127 1067510651 /nfs/dbraw/zinc/51/06/51/1067510651.db2.gz JLSJKQNLFXAFIE-OAQYLSRUSA-N 1 1 486.636 3.218 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001302937127 1067510658 /nfs/dbraw/zinc/51/06/58/1067510658.db2.gz JLSJKQNLFXAFIE-OAQYLSRUSA-N 1 1 486.636 3.218 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001302938011 1067511736 /nfs/dbraw/zinc/51/17/36/1067511736.db2.gz OXLJJARTGOZAIL-UHFFFAOYSA-N 1 1 476.691 3.108 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC(C(N)=O)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304433572 1067512686 /nfs/dbraw/zinc/51/26/86/1067512686.db2.gz OUSCZSICRBELKI-BGYRXZFFSA-N 1 1 486.686 3.080 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001302939588 1067513374 /nfs/dbraw/zinc/51/33/74/1067513374.db2.gz GGHUADNDJDBYNZ-UHFFFAOYSA-N 1 1 453.635 3.099 20 0 JGADMO FC(F)C(F)(F)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302946039 1067519604 /nfs/dbraw/zinc/51/96/04/1067519604.db2.gz ZQAADZWYDAUNTO-UHFFFAOYSA-N 1 1 487.933 3.278 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302949108 1067523082 /nfs/dbraw/zinc/52/30/82/1067523082.db2.gz HIBWFXDMXFZGSN-QHCPKHFHSA-N 1 1 458.626 3.179 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302949917 1067523850 /nfs/dbraw/zinc/52/38/50/1067523850.db2.gz MLJBKQDYBKKCBC-JOCHJYFZSA-N 1 1 481.689 3.270 20 0 JGADMO Cc1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304443827 1067525819 /nfs/dbraw/zinc/52/58/19/1067525819.db2.gz VEOQGPVEEARXQV-OYRHEFFESA-N 1 1 468.646 3.135 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCS(=O)(=O)c1ccccc1 ZINC001302956754 1067528470 /nfs/dbraw/zinc/52/84/70/1067528470.db2.gz IUTUCBQCJKJEFU-NRFANRHFSA-N 1 1 489.686 3.030 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCS(=O)(=O)c1ccccc1 ZINC001302956754 1067528476 /nfs/dbraw/zinc/52/84/76/1067528476.db2.gz IUTUCBQCJKJEFU-NRFANRHFSA-N 1 1 489.686 3.030 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302959123 1067530668 /nfs/dbraw/zinc/53/06/68/1067530668.db2.gz OOSIAYKJKUFTSA-JOCHJYFZSA-N 1 1 490.096 3.080 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302958949 1067530777 /nfs/dbraw/zinc/53/07/77/1067530777.db2.gz LHPRISDOWQHURP-DHIUTWEWSA-N 1 1 487.737 3.168 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001304451409 1067532927 /nfs/dbraw/zinc/53/29/27/1067532927.db2.gz NZUFKYKFAIWFHI-RBUKOAKNSA-N 1 1 488.633 3.177 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001304451409 1067532934 /nfs/dbraw/zinc/53/29/34/1067532934.db2.gz NZUFKYKFAIWFHI-RBUKOAKNSA-N 1 1 488.633 3.177 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCOC1CCCCCC1 ZINC001302964115 1067534436 /nfs/dbraw/zinc/53/44/36/1067534436.db2.gz BCYCJXLIEDECAM-RUZDIDTESA-N 1 1 490.737 3.447 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304453471 1067534731 /nfs/dbraw/zinc/53/47/31/1067534731.db2.gz YVAJKXXZFREDRF-IRLDBZIGSA-N 1 1 482.654 3.182 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001304454508 1067535851 /nfs/dbraw/zinc/53/58/51/1067535851.db2.gz NJRYSWDNTJHCIH-INIZCTEOSA-N 1 1 460.504 3.423 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001304454508 1067535863 /nfs/dbraw/zinc/53/58/63/1067535863.db2.gz NJRYSWDNTJHCIH-INIZCTEOSA-N 1 1 460.504 3.423 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001304457404 1067537899 /nfs/dbraw/zinc/53/78/99/1067537899.db2.gz CGGYXVVEIWAEJT-GOSISDBHSA-N 1 1 473.576 3.262 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302971702 1067539759 /nfs/dbraw/zinc/53/97/59/1067539759.db2.gz GZSLYJORQVQBET-OAQYLSRUSA-N 1 1 480.579 3.062 20 0 JGADMO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304463095 1067541373 /nfs/dbraw/zinc/54/13/73/1067541373.db2.gz FVRCPGWFBFJLBZ-GOSISDBHSA-N 1 1 474.675 3.172 20 0 JGADMO Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001304466059 1067544227 /nfs/dbraw/zinc/54/42/27/1067544227.db2.gz RPKIMZXMYZZGQN-FQEVSTJZSA-N 1 1 456.635 3.279 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304468549 1067547159 /nfs/dbraw/zinc/54/71/59/1067547159.db2.gz HLERJUNPWHKLTE-CTNGQTDRSA-N 1 1 467.662 3.464 20 0 JGADMO CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302984303 1067547830 /nfs/dbraw/zinc/54/78/30/1067547830.db2.gz CQNCTTSWIUAWTJ-IRLDBZIGSA-N 1 1 459.660 3.012 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001302986360 1067548909 /nfs/dbraw/zinc/54/89/09/1067548909.db2.gz QPPSZGNUJULTQP-QHCPKHFHSA-N 1 1 498.672 3.461 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC001304473674 1067551638 /nfs/dbraw/zinc/55/16/38/1067551638.db2.gz SQPBDKSYRWFXNJ-FCHUYYIVSA-N 1 1 497.688 3.281 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC001304473677 1067551660 /nfs/dbraw/zinc/55/16/60/1067551660.db2.gz SQPBDKSYRWFXNJ-FGZHOGPDSA-N 1 1 497.688 3.281 20 0 JGADMO CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001302998100 1067556660 /nfs/dbraw/zinc/55/66/60/1067556660.db2.gz GSOVGSOLFMIKJG-VQTJNVASSA-N 1 1 474.675 3.110 20 0 JGADMO CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001302998101 1067556727 /nfs/dbraw/zinc/55/67/27/1067556727.db2.gz GSOVGSOLFMIKJG-WOJBJXKFSA-N 1 1 474.675 3.110 20 0 JGADMO Cc1cccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001304479501 1067558915 /nfs/dbraw/zinc/55/89/15/1067558915.db2.gz UTHFQEICNYSYRN-FQEVSTJZSA-N 1 1 469.634 3.436 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001304479836 1067559421 /nfs/dbraw/zinc/55/94/21/1067559421.db2.gz DCNPHPXYTCDCLY-IBGZPJMESA-N 1 1 465.568 3.453 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303009773 1067564498 /nfs/dbraw/zinc/56/44/98/1067564498.db2.gz RWUGOGANJAQQIR-AREMUKBSSA-N 1 1 495.676 3.419 20 0 JGADMO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC001304489095 1067567783 /nfs/dbraw/zinc/56/77/83/1067567783.db2.gz CFJHYRTYAKNVJR-FGZHOGPDSA-N 1 1 467.662 3.453 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001303015544 1067570092 /nfs/dbraw/zinc/57/00/92/1067570092.db2.gz HYTPMTHNWIAARX-NDEPHWFRSA-N 1 1 497.732 3.446 20 0 JGADMO Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC001304495281 1067571768 /nfs/dbraw/zinc/57/17/68/1067571768.db2.gz AOXPZJBTWMOIHE-QNWVGRARSA-N 1 1 488.702 3.336 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001304497107 1067572757 /nfs/dbraw/zinc/57/27/57/1067572757.db2.gz CGESDNSIIXWDDS-DEOSSOPVSA-N 1 1 464.662 3.286 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)Cc3cnccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304500126 1067574871 /nfs/dbraw/zinc/57/48/71/1067574871.db2.gz JJWAHYIWHUPBDI-OYRHEFFESA-N 1 1 465.602 3.091 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(N2CC[N@H+]3CCCC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303022890 1067575047 /nfs/dbraw/zinc/57/50/47/1067575047.db2.gz SFXCYQYICMEZIV-TUSQITKMSA-N 1 1 463.667 3.180 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2nccs2)c1 ZINC001304503810 1067577834 /nfs/dbraw/zinc/57/78/34/1067577834.db2.gz KIYQVXVCLKYUKM-UHFFFAOYSA-N 1 1 470.643 3.412 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2nccs2)c1 ZINC001304503810 1067577839 /nfs/dbraw/zinc/57/78/39/1067577839.db2.gz KIYQVXVCLKYUKM-UHFFFAOYSA-N 1 1 470.643 3.412 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001304504042 1067578125 /nfs/dbraw/zinc/57/81/25/1067578125.db2.gz OJTKHQFSCPHFJY-UHFFFAOYSA-N 1 1 496.660 3.107 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001304504042 1067578130 /nfs/dbraw/zinc/57/81/30/1067578130.db2.gz OJTKHQFSCPHFJY-UHFFFAOYSA-N 1 1 496.660 3.107 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC(=O)NC(C)C)c1 ZINC001304506799 1067580226 /nfs/dbraw/zinc/58/02/26/1067580226.db2.gz NXTTZZNSIXQEMN-UHFFFAOYSA-N 1 1 456.635 3.247 20 0 JGADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304509282 1067583844 /nfs/dbraw/zinc/58/38/44/1067583844.db2.gz UHWPBRVDJVWRLN-UYAOXDASSA-N 1 1 497.562 3.432 20 0 JGADMO CC(C)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001303039616 1067584579 /nfs/dbraw/zinc/58/45/79/1067584579.db2.gz PUKGGJCQUVNQPH-UHFFFAOYSA-N 1 1 477.613 3.288 20 0 JGADMO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001303039305 1067584622 /nfs/dbraw/zinc/58/46/22/1067584622.db2.gz SVOFSUKYLGTCNK-SFHVURJKSA-N 1 1 495.455 3.191 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304511321 1067586553 /nfs/dbraw/zinc/58/65/53/1067586553.db2.gz NFTZYFKDEWEYQU-FDFHNCONSA-N 1 1 457.619 3.280 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001304511374 1067586817 /nfs/dbraw/zinc/58/68/17/1067586817.db2.gz AMXSDCNVAQZOBA-CGKQSPDFSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001304511374 1067586820 /nfs/dbraw/zinc/58/68/20/1067586820.db2.gz AMXSDCNVAQZOBA-CGKQSPDFSA-N 1 1 459.660 3.387 20 0 JGADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001303050676 1067591219 /nfs/dbraw/zinc/59/12/19/1067591219.db2.gz XDRUSLWMVLCFJX-KRWDZBQOSA-N 1 1 459.940 3.303 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001304515047 1067591958 /nfs/dbraw/zinc/59/19/58/1067591958.db2.gz MOERYAVZUWWXEO-OAQYLSRUSA-N 1 1 459.660 3.389 20 0 JGADMO CC(C)CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001303056992 1067595198 /nfs/dbraw/zinc/59/51/98/1067595198.db2.gz AVSZLYZZQBQCIE-IBGZPJMESA-N 1 1 451.681 3.460 20 0 JGADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001304520622 1067596204 /nfs/dbraw/zinc/59/62/04/1067596204.db2.gz NHGUXXWICZCRAB-KSEOMHKRSA-N 1 1 454.619 3.092 20 0 JGADMO O=C(c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCC(F)(F)F)N1CCCC1 ZINC001303061303 1067596793 /nfs/dbraw/zinc/59/67/93/1067596793.db2.gz GDBKFWINEAVJFN-UHFFFAOYSA-N 1 1 456.538 3.240 20 0 JGADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304522226 1067597144 /nfs/dbraw/zinc/59/71/44/1067597144.db2.gz VNHGHBHDOOQXKR-HXUWFJFHSA-N 1 1 454.619 3.017 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001304523194 1067597626 /nfs/dbraw/zinc/59/76/26/1067597626.db2.gz HHZAZILYMXMVOA-UHFFFAOYSA-N 1 1 458.010 3.388 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[N@H+]1CCOCC1(C)C ZINC001304523194 1067597632 /nfs/dbraw/zinc/59/76/32/1067597632.db2.gz HHZAZILYMXMVOA-UHFFFAOYSA-N 1 1 458.010 3.388 20 0 JGADMO Cc1n[nH]cc1CCCn1c(-c2ccccc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304525580 1067598738 /nfs/dbraw/zinc/59/87/38/1067598738.db2.gz JMIQWJARRYFWAY-UHFFFAOYSA-N 1 1 451.619 3.465 20 0 JGADMO Cc1n[nH]cc1CCCn1c(-c2ccccc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304525580 1067598740 /nfs/dbraw/zinc/59/87/40/1067598740.db2.gz JMIQWJARRYFWAY-UHFFFAOYSA-N 1 1 451.619 3.465 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001304527235 1067599786 /nfs/dbraw/zinc/59/97/86/1067599786.db2.gz YEAQTSUAPCKOGB-UHFFFAOYSA-N 1 1 463.630 3.310 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001304527235 1067599790 /nfs/dbraw/zinc/59/97/90/1067599790.db2.gz YEAQTSUAPCKOGB-UHFFFAOYSA-N 1 1 463.630 3.310 20 0 JGADMO Cc1ccccc1-c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304527997 1067599961 /nfs/dbraw/zinc/59/99/61/1067599961.db2.gz LEXPQHTZGOMWJL-RBBKRZOGSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccccc1-c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304527996 1067599996 /nfs/dbraw/zinc/59/99/96/1067599996.db2.gz LEXPQHTZGOMWJL-IRLDBZIGSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304528691 1067600751 /nfs/dbraw/zinc/60/07/51/1067600751.db2.gz NRWLEVVUTHLMSG-OAQYLSRUSA-N 1 1 468.646 3.057 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001304528691 1067600752 /nfs/dbraw/zinc/60/07/52/1067600752.db2.gz NRWLEVVUTHLMSG-OAQYLSRUSA-N 1 1 468.646 3.057 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304531838 1067603226 /nfs/dbraw/zinc/60/32/26/1067603226.db2.gz ZUFBKUMDPIWTME-LEWJYISDSA-N 1 1 484.645 3.325 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001304533954 1067604412 /nfs/dbraw/zinc/60/44/12/1067604412.db2.gz ALSZMVUAUSJSQY-JOCHJYFZSA-N 1 1 454.663 3.390 20 0 JGADMO CC(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303069822 1067604617 /nfs/dbraw/zinc/60/46/17/1067604617.db2.gz UTSOHVMUTNKRQV-CTNGQTDRSA-N 1 1 462.664 3.035 20 0 JGADMO O=C(Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2cccs2)CC1)NCC(F)F ZINC001303070097 1067604670 /nfs/dbraw/zinc/60/46/70/1067604670.db2.gz KLUFAMSICAQJKX-UHFFFAOYSA-N 1 1 480.972 3.364 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCCOC(F)F ZINC001304534800 1067605097 /nfs/dbraw/zinc/60/50/97/1067605097.db2.gz IICVBLMPRJHVTE-UHFFFAOYSA-N 1 1 459.545 3.329 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCCOC(C)C ZINC001304534888 1067605372 /nfs/dbraw/zinc/60/53/72/1067605372.db2.gz JQFDVYPPHQIHPD-HSZRJFAPSA-N 1 1 468.646 3.202 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304534882 1067605472 /nfs/dbraw/zinc/60/54/72/1067605472.db2.gz QQJLFABDEXQLHC-IBVKSMDESA-N 1 1 484.645 3.156 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304534881 1067605503 /nfs/dbraw/zinc/60/55/03/1067605503.db2.gz QQJLFABDEXQLHC-FQRUVTKNSA-N 1 1 484.645 3.156 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304537280 1067608800 /nfs/dbraw/zinc/60/88/00/1067608800.db2.gz NIDZHEPYHVLHRB-UHFFFAOYSA-N 1 1 484.689 3.036 20 0 JGADMO CCOC(=O)c1sc([C@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)C2)nc1C ZINC001303075682 1067609336 /nfs/dbraw/zinc/60/93/36/1067609336.db2.gz HREDETURBMTRAJ-AZUAARDMSA-N 1 1 457.596 3.142 20 0 JGADMO CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)C2)nc1C ZINC001303076198 1067609348 /nfs/dbraw/zinc/60/93/48/1067609348.db2.gz NFCRWXMRNGRXMI-HXUWFJFHSA-N 1 1 456.612 3.005 20 0 JGADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001304544386 1067614384 /nfs/dbraw/zinc/61/43/84/1067614384.db2.gz VKJGWMQGRMAHIY-JOCHJYFZSA-N 1 1 466.674 3.408 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001304549187 1067618097 /nfs/dbraw/zinc/61/80/97/1067618097.db2.gz GQCHYGGOVGUGSQ-FGZHOGPDSA-N 1 1 452.647 3.499 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001304549188 1067618183 /nfs/dbraw/zinc/61/81/83/1067618183.db2.gz GQCHYGGOVGUGSQ-VXKWHMMOSA-N 1 1 452.647 3.499 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001304549635 1067618985 /nfs/dbraw/zinc/61/89/85/1067618985.db2.gz QFQNDPYTOJSHKW-IBGZPJMESA-N 1 1 461.676 3.169 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001304551470 1067621081 /nfs/dbraw/zinc/62/10/81/1067621081.db2.gz SBJCFIRTLUCFEO-HXUWFJFHSA-N 1 1 452.647 3.355 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCC[N@H+](C)C(C)C ZINC001304553367 1067622856 /nfs/dbraw/zinc/62/28/56/1067622856.db2.gz PNGGAKVKIVWNRW-UHFFFAOYSA-N 1 1 452.647 3.356 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC[N@@H+](C)C(C)C ZINC001304558643 1067627157 /nfs/dbraw/zinc/62/71/57/1067627157.db2.gz ATAGSZCTTPQJJX-UHFFFAOYSA-N 1 1 456.635 3.432 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001304559159 1067628266 /nfs/dbraw/zinc/62/82/66/1067628266.db2.gz JVYUMXTWQCRBJY-UHFFFAOYSA-N 1 1 473.687 3.313 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[S@](=O)C(C)(C)C ZINC001304560525 1067630171 /nfs/dbraw/zinc/63/01/71/1067630171.db2.gz SVLJBDMQDSWTBM-TXRXYBTHSA-N 1 1 487.714 3.414 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC[N@H+](C)C(C)C ZINC001304560553 1067630211 /nfs/dbraw/zinc/63/02/11/1067630211.db2.gz UGGLPSLKJBCUAY-UHFFFAOYSA-N 1 1 495.716 3.042 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001303096250 1067632803 /nfs/dbraw/zinc/63/28/03/1067632803.db2.gz SOUDUZVNPLCDPT-QFIPXVFZSA-N 1 1 498.672 3.183 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001303096249 1067632835 /nfs/dbraw/zinc/63/28/35/1067632835.db2.gz SOUDUZVNPLCDPT-JOCHJYFZSA-N 1 1 498.672 3.183 20 0 JGADMO Cc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001304569011 1067636905 /nfs/dbraw/zinc/63/69/05/1067636905.db2.gz OQTNKYWCUGCTLH-JTHBVZDNSA-N 1 1 478.645 3.026 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001303099849 1067637791 /nfs/dbraw/zinc/63/77/91/1067637791.db2.gz BEGGZKNJGBVXAY-NHCUHLMSSA-N 1 1 468.646 3.427 20 0 JGADMO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001304569980 1067637869 /nfs/dbraw/zinc/63/78/69/1067637869.db2.gz HDIMBHLGPLIFOQ-XFSFLGPDSA-N 1 1 459.660 3.307 20 0 JGADMO Cc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304570214 1067638448 /nfs/dbraw/zinc/63/84/48/1067638448.db2.gz AYGBYAZUFQPZMP-HSZRJFAPSA-N 1 1 481.689 3.153 20 0 JGADMO Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304572789 1067641090 /nfs/dbraw/zinc/64/10/90/1067641090.db2.gz JILDQQGXZSBGLK-GSPCLOLRSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304572789 1067641094 /nfs/dbraw/zinc/64/10/94/1067641094.db2.gz JILDQQGXZSBGLK-GSPCLOLRSA-N 1 1 471.646 3.493 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001303102561 1067641372 /nfs/dbraw/zinc/64/13/72/1067641372.db2.gz SSMFXZKPFZAVSV-YADHBBJMSA-N 1 1 463.667 3.172 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2cnnn2C)cc1 ZINC001303102689 1067641381 /nfs/dbraw/zinc/64/13/81/1067641381.db2.gz QPRNPHSDGIMIJX-UHFFFAOYSA-N 1 1 466.634 3.467 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304575296 1067644179 /nfs/dbraw/zinc/64/41/79/1067644179.db2.gz ZDZIINPMOBIUJA-QHCPKHFHSA-N 1 1 484.689 3.412 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304575296 1067644181 /nfs/dbraw/zinc/64/41/81/1067644181.db2.gz ZDZIINPMOBIUJA-QHCPKHFHSA-N 1 1 484.689 3.412 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304575296 1067644183 /nfs/dbraw/zinc/64/41/83/1067644183.db2.gz ZDZIINPMOBIUJA-QHCPKHFHSA-N 1 1 484.689 3.412 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304575295 1067644242 /nfs/dbraw/zinc/64/42/42/1067644242.db2.gz ZDZIINPMOBIUJA-HSZRJFAPSA-N 1 1 484.689 3.412 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304575295 1067644244 /nfs/dbraw/zinc/64/42/44/1067644244.db2.gz ZDZIINPMOBIUJA-HSZRJFAPSA-N 1 1 484.689 3.412 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304575295 1067644249 /nfs/dbraw/zinc/64/42/49/1067644249.db2.gz ZDZIINPMOBIUJA-HSZRJFAPSA-N 1 1 484.689 3.412 20 0 JGADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001304578800 1067647341 /nfs/dbraw/zinc/64/73/41/1067647341.db2.gz AOSAJSRLGJIYMJ-HXUWFJFHSA-N 1 1 488.702 3.127 20 0 JGADMO CC(C)CCOCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303110400 1067648606 /nfs/dbraw/zinc/64/86/06/1067648606.db2.gz VEBONKVTWMVSAQ-LJQANCHMSA-N 1 1 495.466 3.020 20 0 JGADMO CC(C)CCOCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303110400 1067648607 /nfs/dbraw/zinc/64/86/07/1067648607.db2.gz VEBONKVTWMVSAQ-LJQANCHMSA-N 1 1 495.466 3.020 20 0 JGADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001304580203 1067649525 /nfs/dbraw/zinc/64/95/25/1067649525.db2.gz WWHNQRMJOOBAAS-UNMCSNQZSA-N 1 1 488.702 3.341 20 0 JGADMO CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303118620 1067657127 /nfs/dbraw/zinc/65/71/27/1067657127.db2.gz ZQEDSXZORBTEEA-JOCHJYFZSA-N 1 1 489.064 3.404 20 0 JGADMO CC1=CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001304589875 1067657164 /nfs/dbraw/zinc/65/71/64/1067657164.db2.gz LDPPORVLKYOGGQ-SFTDATJTSA-N 1 1 474.650 3.475 20 0 JGADMO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)c1 ZINC001304598781 1067662226 /nfs/dbraw/zinc/66/22/26/1067662226.db2.gz HTEVXCRROCXUAP-RZUBCFFCSA-N 1 1 470.666 3.131 20 0 JGADMO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@H+]3CCC[C@@H](C)C3)C2)c1 ZINC001304600114 1067663562 /nfs/dbraw/zinc/66/35/62/1067663562.db2.gz ZCVWWNNQBUCSOY-TZIWHRDSSA-N 1 1 470.666 3.273 20 0 JGADMO Cc1cnn(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CCO2)c1 ZINC001304600340 1067664018 /nfs/dbraw/zinc/66/40/18/1067664018.db2.gz BGFRJHRKNJQELU-VXKWHMMOSA-N 1 1 457.667 3.397 20 0 JGADMO Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001304601161 1067665432 /nfs/dbraw/zinc/66/54/32/1067665432.db2.gz UNBWFQZKHQNRAT-FQEVSTJZSA-N 1 1 484.693 3.348 20 0 JGADMO O[C@H](C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC(F)(F)F)CC1)c1ccccc1 ZINC001303135473 1067675969 /nfs/dbraw/zinc/67/59/69/1067675969.db2.gz IAEAPDNKFLSNIB-WOJBJXKFSA-N 1 1 483.535 3.302 20 0 JGADMO Cc1cnc([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001304609819 1067676996 /nfs/dbraw/zinc/67/69/96/1067676996.db2.gz XEZKRMQBBFRSHL-WMZOPIPTSA-N 1 1 497.735 3.014 20 0 JGADMO CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303138386 1067679098 /nfs/dbraw/zinc/67/90/98/1067679098.db2.gz BYRGIEYAQZKKEK-OAQYLSRUSA-N 1 1 478.682 3.332 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303143174 1067681801 /nfs/dbraw/zinc/68/18/01/1067681801.db2.gz ATNRCNPMWHOUHM-OALUTQOASA-N 1 1 459.557 3.015 20 0 JGADMO Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001304614848 1067682162 /nfs/dbraw/zinc/68/21/62/1067682162.db2.gz UUILBDSDEGEEKD-OAQYLSRUSA-N 1 1 450.587 3.385 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOCC1 ZINC001303144341 1067683263 /nfs/dbraw/zinc/68/32/63/1067683263.db2.gz ORPOJVASSROFKI-KRWDZBQOSA-N 1 1 498.853 3.435 20 0 JGADMO OCCCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001303150408 1067688177 /nfs/dbraw/zinc/68/81/77/1067688177.db2.gz NVNYPIDQESFYBU-QGZVFWFLSA-N 1 1 498.491 3.480 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001303152896 1067689494 /nfs/dbraw/zinc/68/94/94/1067689494.db2.gz IORGHCTUPHCULI-IAGOWNOFSA-N 1 1 469.527 3.475 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001303152819 1067689561 /nfs/dbraw/zinc/68/95/61/1067689561.db2.gz GHRRYAWWYUHUPW-MOPGFXCFSA-N 1 1 459.557 3.330 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303152854 1067689588 /nfs/dbraw/zinc/68/95/88/1067689588.db2.gz HCBBTOUVJVOEDV-OALUTQOASA-N 1 1 487.954 3.137 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001303152898 1067689611 /nfs/dbraw/zinc/68/96/11/1067689611.db2.gz IORGHCTUPHCULI-SJORKVTESA-N 1 1 469.527 3.475 20 0 JGADMO CC(C)CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC001303160801 1067696939 /nfs/dbraw/zinc/69/69/39/1067696939.db2.gz YDPOJVASFHYDPS-UXHICEINSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001304626402 1067696960 /nfs/dbraw/zinc/69/69/60/1067696960.db2.gz SRGQLOBNKBFRIA-OALUTQOASA-N 1 1 474.675 3.408 20 0 JGADMO Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)n1 ZINC001304635022 1067703942 /nfs/dbraw/zinc/70/39/42/1067703942.db2.gz NFBYJFZQLDMEPB-UHFFFAOYSA-N 1 1 461.680 3.069 20 0 JGADMO Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)n1 ZINC001304635022 1067703951 /nfs/dbraw/zinc/70/39/51/1067703951.db2.gz NFBYJFZQLDMEPB-UHFFFAOYSA-N 1 1 461.680 3.069 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)CC2)C1 ZINC001303172445 1067705390 /nfs/dbraw/zinc/70/53/90/1067705390.db2.gz GUVIUSLUPTVPHV-MRXNPFEDSA-N 1 1 495.491 3.463 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001303172365 1067705438 /nfs/dbraw/zinc/70/54/38/1067705438.db2.gz FKNHGSOKHRKQGH-NHCUHLMSSA-N 1 1 455.651 3.382 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001303172408 1067705534 /nfs/dbraw/zinc/70/55/34/1067705534.db2.gz GCHIKLKCMWSNRZ-ROUUACIJSA-N 1 1 460.026 3.028 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001303172364 1067705581 /nfs/dbraw/zinc/70/55/81/1067705581.db2.gz FKNHGSOKHRKQGH-LEWJYISDSA-N 1 1 455.651 3.382 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303172540 1067706043 /nfs/dbraw/zinc/70/60/43/1067706043.db2.gz ISWSIUNDYXDGKD-RBUKOAKNSA-N 1 1 495.594 3.156 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3ccccc3)C2)C1 ZINC001303172544 1067706117 /nfs/dbraw/zinc/70/61/17/1067706117.db2.gz IVKVBUXPPXBPSE-FYYLOGMGSA-N 1 1 468.646 3.362 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3cccs3)CC2)C1 ZINC001303172781 1067706409 /nfs/dbraw/zinc/70/64/09/1067706409.db2.gz NBQHAJQKEQPDOB-OAQYLSRUSA-N 1 1 487.718 3.168 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001303173056 1067706946 /nfs/dbraw/zinc/70/69/46/1067706946.db2.gz OYGJFONWZPXUMO-SFHVURJKSA-N 1 1 489.462 3.402 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001303173228 1067707018 /nfs/dbraw/zinc/70/70/18/1067707018.db2.gz PZYKAQTXFAELCO-ROUUACIJSA-N 1 1 495.550 3.061 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCc3ccccc32)C1 ZINC001303173268 1067707095 /nfs/dbraw/zinc/70/70/95/1067707095.db2.gz QVLKSLMUUYQRSN-JTAQYXEDSA-N 1 1 488.702 3.380 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@H](C)C2)C1 ZINC001303174295 1067707922 /nfs/dbraw/zinc/70/79/22/1067707922.db2.gz XFTCZTIFSQRWGE-RTBURBONSA-N 1 1 457.648 3.235 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001303174641 1067708131 /nfs/dbraw/zinc/70/81/31/1067708131.db2.gz ZXIAAXOFPWEXQZ-IFMALSPDSA-N 1 1 489.064 3.455 20 0 JGADMO CC(C)CN1C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CCN2C1=O ZINC001303176499 1067709307 /nfs/dbraw/zinc/70/93/07/1067709307.db2.gz OYONUAVXTGLTBI-NJYVYQBISA-N 1 1 459.683 3.278 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001303176708 1067709637 /nfs/dbraw/zinc/70/96/37/1067709637.db2.gz FGPVSJAFRHVXLK-JAXLGGSGSA-N 1 1 489.686 3.451 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001303176710 1067709750 /nfs/dbraw/zinc/70/97/50/1067709750.db2.gz FGPVSJAFRHVXLK-RZUBCFFCSA-N 1 1 489.686 3.451 20 0 JGADMO CC(C)CN1C[C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CCN2C1=O ZINC001303177026 1067709826 /nfs/dbraw/zinc/70/98/26/1067709826.db2.gz TZDSLOYNACPHHZ-LEWJYISDSA-N 1 1 459.683 3.278 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001303178160 1067710551 /nfs/dbraw/zinc/71/05/51/1067710551.db2.gz JQPKEEPDDAQOAM-FCHUYYIVSA-N 1 1 496.766 3.343 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001303178316 1067710995 /nfs/dbraw/zinc/71/09/95/1067710995.db2.gz KYQKVMFIOPAYOU-RJGXRXQPSA-N 1 1 474.694 3.486 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303178167 1067711010 /nfs/dbraw/zinc/71/10/10/1067711010.db2.gz JRXJAIUIRNUDQW-SFTDATJTSA-N 1 1 479.716 3.312 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303178165 1067711177 /nfs/dbraw/zinc/71/11/77/1067711177.db2.gz JRXJAIUIRNUDQW-NHCUHLMSSA-N 1 1 479.716 3.312 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303178838 1067712379 /nfs/dbraw/zinc/71/23/79/1067712379.db2.gz OFJAOZGGBCMUQH-GMAHTHKFSA-N 1 1 488.702 3.035 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001303179458 1067713612 /nfs/dbraw/zinc/71/36/12/1067713612.db2.gz WFSZEVMIJMGIAX-PKTZIBPZSA-N 1 1 473.687 3.055 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001303179641 1067713749 /nfs/dbraw/zinc/71/37/49/1067713749.db2.gz XOWSFTWYOQBXJN-UXHICEINSA-N 1 1 465.646 3.418 20 0 JGADMO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1=O ZINC001303181903 1067714113 /nfs/dbraw/zinc/71/41/13/1067714113.db2.gz AEIFOJFENFPHHB-NRFANRHFSA-N 1 1 482.673 3.149 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cs1 ZINC001304650474 1067718720 /nfs/dbraw/zinc/71/87/20/1067718720.db2.gz KLSLENDZMUZURZ-LJQANCHMSA-N 1 1 480.560 3.247 20 0 JGADMO Cc1nc([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)CCO2)no1 ZINC001304653978 1067722448 /nfs/dbraw/zinc/72/24/48/1067722448.db2.gz VQDDVWHEJZEOEO-FQEVSTJZSA-N 1 1 457.554 3.017 20 0 JGADMO Cc1nc([C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)CCO2)no1 ZINC001304653979 1067722470 /nfs/dbraw/zinc/72/24/70/1067722470.db2.gz VQDDVWHEJZEOEO-HXUWFJFHSA-N 1 1 457.554 3.017 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1=O ZINC001303188343 1067722742 /nfs/dbraw/zinc/72/27/42/1067722742.db2.gz HPANRASBSQKOSR-UXHICEINSA-N 1 1 455.651 3.477 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@@](C)(O)c2ccccc2)cs1 ZINC001304655965 1067724141 /nfs/dbraw/zinc/72/41/41/1067724141.db2.gz CZSIYXBRCRVRAS-BVFVYWQFSA-N 1 1 498.697 3.477 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@@](C)(O)c2ccccc2)cs1 ZINC001304655965 1067724149 /nfs/dbraw/zinc/72/41/49/1067724149.db2.gz CZSIYXBRCRVRAS-BVFVYWQFSA-N 1 1 498.697 3.477 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[N@@H+](C)C(C)C)[C@@H](C)C1=O ZINC001303190464 1067724953 /nfs/dbraw/zinc/72/49/53/1067724953.db2.gz YKGIJIRONZRAMU-NRFANRHFSA-N 1 1 478.645 3.164 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCN(C)c3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001304656885 1067725157 /nfs/dbraw/zinc/72/51/57/1067725157.db2.gz PEOCPUHFHPPVEZ-UHFFFAOYSA-N 1 1 496.729 3.232 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCN(C)c3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304656885 1067725163 /nfs/dbraw/zinc/72/51/63/1067725163.db2.gz PEOCPUHFHPPVEZ-UHFFFAOYSA-N 1 1 496.729 3.232 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCN(C)c3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304656885 1067725170 /nfs/dbraw/zinc/72/51/70/1067725170.db2.gz PEOCPUHFHPPVEZ-UHFFFAOYSA-N 1 1 496.729 3.232 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC[N@@H+](C)C2CCCCC2)cs1 ZINC001304657065 1067725445 /nfs/dbraw/zinc/72/54/45/1067725445.db2.gz SCWNQDOEKGFTIP-UHFFFAOYSA-N 1 1 489.734 3.445 20 0 JGADMO O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001304659431 1067727457 /nfs/dbraw/zinc/72/74/57/1067727457.db2.gz GUSPVOJMNNLHMT-ZWKOTPCHSA-N 1 1 453.370 3.424 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC001304660494 1067728401 /nfs/dbraw/zinc/72/84/01/1067728401.db2.gz VBMKZHLKFBETCQ-GOSISDBHSA-N 1 1 464.680 3.386 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)[C@H](C)C1=O ZINC001303195694 1067728806 /nfs/dbraw/zinc/72/88/06/1067728806.db2.gz JOZWETWENSBQEH-BJKOFHAPSA-N 1 1 496.700 3.257 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001304667608 1067735514 /nfs/dbraw/zinc/73/55/14/1067735514.db2.gz BXJGKRWFUMVFSJ-QGZVFWFLSA-N 1 1 477.679 3.468 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC[C@@H]2C)C1 ZINC001303200860 1067736606 /nfs/dbraw/zinc/73/66/06/1067736606.db2.gz GDQMHCKHXBMSTI-PXNSSMCTSA-N 1 1 465.545 3.128 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C2CCC2)C1 ZINC001303201289 1067737171 /nfs/dbraw/zinc/73/71/71/1067737171.db2.gz KGLFRUPLDXWOBJ-QGZVFWFLSA-N 1 1 451.413 3.381 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCCOC(C)C)cs1 ZINC001304669669 1067737399 /nfs/dbraw/zinc/73/73/99/1067737399.db2.gz HQYWQEHVCAZIJG-SFHVURJKSA-N 1 1 462.664 3.138 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001303202338 1067738379 /nfs/dbraw/zinc/73/83/79/1067738379.db2.gz XFKKKTWKICZQOV-NUJGCVRESA-N 1 1 481.439 3.006 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001303202339 1067738550 /nfs/dbraw/zinc/73/85/50/1067738550.db2.gz XFKKKTWKICZQOV-SOLBZPMBSA-N 1 1 481.439 3.006 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C3CC3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC001303203837 1067739490 /nfs/dbraw/zinc/73/94/90/1067739490.db2.gz BXIHDZGJQIQREB-OFNKIYASSA-N 1 1 468.646 3.168 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCC3(CC2)OCCO3)C1 ZINC001303204427 1067741145 /nfs/dbraw/zinc/74/11/45/1067741145.db2.gz JJFQCCGVKLNXKP-OAQYLSRUSA-N 1 1 463.667 3.345 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C(C)C)CC2)C1 ZINC001303204477 1067741386 /nfs/dbraw/zinc/74/13/86/1067741386.db2.gz MOQYDYFSHLNKFG-OAQYLSRUSA-N 1 1 488.702 3.499 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303204617 1067741689 /nfs/dbraw/zinc/74/16/89/1067741689.db2.gz KRGVQSKKGFIKNA-VXKWHMMOSA-N 1 1 484.645 3.405 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCSC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303204817 1067741748 /nfs/dbraw/zinc/74/17/48/1067741748.db2.gz PDFQQOLIPRCVTD-GBXCKJPGSA-N 1 1 481.707 3.007 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCSC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303204819 1067741876 /nfs/dbraw/zinc/74/18/76/1067741876.db2.gz PDFQQOLIPRCVTD-RDPSFJRHSA-N 1 1 481.707 3.007 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001303205013 1067742429 /nfs/dbraw/zinc/74/24/29/1067742429.db2.gz ODEMFXIEIDUSNM-SFTDATJTSA-N 1 1 456.635 3.481 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2C[C@@](C)(O)CCC(C)C)cs1 ZINC001304673874 1067743787 /nfs/dbraw/zinc/74/37/87/1067743787.db2.gz FDJIBDWNDBQALU-QPPBQGQZSA-N 1 1 476.691 3.122 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccn3C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001303206652 1067744535 /nfs/dbraw/zinc/74/45/35/1067744535.db2.gz VPFBXAIVLMGDNQ-CJFMBICVSA-N 1 1 458.651 3.282 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001303207414 1067745539 /nfs/dbraw/zinc/74/55/39/1067745539.db2.gz VRABNIDZCOXLNA-QHCPKHFHSA-N 1 1 456.635 3.015 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303212390 1067749672 /nfs/dbraw/zinc/74/96/72/1067749672.db2.gz CWWRXWLRXOKEDU-QHCPKHFHSA-N 1 1 484.645 3.217 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303212562 1067749927 /nfs/dbraw/zinc/74/99/27/1067749927.db2.gz GAHLGNITCRPTOO-SZPZYZBQSA-N 1 1 484.645 3.359 20 0 JGADMO Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)C2)no1 ZINC001304678016 1067750033 /nfs/dbraw/zinc/75/00/33/1067750033.db2.gz JLRNYKMGKSPANR-FQEVSTJZSA-N 1 1 472.682 3.043 20 0 JGADMO Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)C2)no1 ZINC001304678016 1067750043 /nfs/dbraw/zinc/75/00/43/1067750043.db2.gz JLRNYKMGKSPANR-FQEVSTJZSA-N 1 1 472.682 3.043 20 0 JGADMO Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)C2)no1 ZINC001304678016 1067750050 /nfs/dbraw/zinc/75/00/50/1067750050.db2.gz JLRNYKMGKSPANR-FQEVSTJZSA-N 1 1 472.682 3.043 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001303213127 1067750657 /nfs/dbraw/zinc/75/06/57/1067750657.db2.gz MIHIIZWJUNZSTC-SFHVURJKSA-N 1 1 476.025 3.392 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001303213689 1067751041 /nfs/dbraw/zinc/75/10/41/1067751041.db2.gz TYOFLLJYMZYCDJ-OAQYLSRUSA-N 1 1 469.634 3.375 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001303215288 1067752608 /nfs/dbraw/zinc/75/26/08/1067752608.db2.gz IETDFEWZWZUMJK-FGZHOGPDSA-N 1 1 483.661 3.299 20 0 JGADMO Cc1n[nH]c(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001304680290 1067753204 /nfs/dbraw/zinc/75/32/04/1067753204.db2.gz IQGQWFBQGWAEEQ-UHFFFAOYSA-N 1 1 487.450 3.463 20 0 JGADMO Cc1nc(CCn2c(-c3ccc(F)cc3Br)nnc2N2CCC[N@H+](C(C)C)CC2)n[nH]1 ZINC001304681387 1067754372 /nfs/dbraw/zinc/75/43/72/1067754372.db2.gz VWLQQBWEZVXKTQ-UHFFFAOYSA-N 1 1 491.413 3.436 20 0 JGADMO Cc1n[nH]c(CCn2c(-c3ccc(F)cc3Br)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001304681387 1067754379 /nfs/dbraw/zinc/75/43/79/1067754379.db2.gz VWLQQBWEZVXKTQ-UHFFFAOYSA-N 1 1 491.413 3.436 20 0 JGADMO Cc1n[nH]c(CCn2c(-c3ccc(F)cc3Br)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001304681387 1067754383 /nfs/dbraw/zinc/75/43/83/1067754383.db2.gz VWLQQBWEZVXKTQ-UHFFFAOYSA-N 1 1 491.413 3.436 20 0 JGADMO Cc1nnc(CCn2c(-c3ccc(F)cc3Br)nnc2N2CCC[N@@H+](C(C)C)CC2)[nH]1 ZINC001304681387 1067754387 /nfs/dbraw/zinc/75/43/87/1067754387.db2.gz VWLQQBWEZVXKTQ-UHFFFAOYSA-N 1 1 491.413 3.436 20 0 JGADMO Cc1nnc(CCn2c(-c3ccc(F)cc3Br)nnc2N2CCC[N@H+](C(C)C)CC2)[nH]1 ZINC001304681387 1067754390 /nfs/dbraw/zinc/75/43/90/1067754390.db2.gz VWLQQBWEZVXKTQ-UHFFFAOYSA-N 1 1 491.413 3.436 20 0 JGADMO CC(C)COc1ccc(Cn2c(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)nnc2C(C)(C)C)cc1 ZINC001303222432 1067758871 /nfs/dbraw/zinc/75/88/71/1067758871.db2.gz WGQBHXWNLHPJLC-HSZRJFAPSA-N 1 1 482.673 3.402 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001303227791 1067763408 /nfs/dbraw/zinc/76/34/08/1067763408.db2.gz VKYCYUKXNOSHDL-DENIHFKCSA-N 1 1 478.435 3.026 20 0 JGADMO Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)s1 ZINC001304690964 1067764552 /nfs/dbraw/zinc/76/45/52/1067764552.db2.gz PTLMKERCWUVURO-UHFFFAOYSA-N 1 1 480.436 3.159 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001303236044 1067767971 /nfs/dbraw/zinc/76/79/71/1067767971.db2.gz ODJSQAOFAMPPSJ-KAOXLYBCSA-N 1 1 477.694 3.416 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cn1 ZINC001304701615 1067772566 /nfs/dbraw/zinc/77/25/66/1067772566.db2.gz LJWYDTNSQZYVIP-UHFFFAOYSA-N 1 1 464.618 3.109 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCOC2(C1)CCCCCC2 ZINC001304702050 1067773639 /nfs/dbraw/zinc/77/36/39/1067773639.db2.gz TZQAIWUUBVAILT-UHFFFAOYSA-N 1 1 457.623 3.331 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N3CCCN(C(=O)C(C)C)CC3)nnc2C(C)(C)C)cn1 ZINC001304702374 1067774292 /nfs/dbraw/zinc/77/42/92/1067774292.db2.gz XKYFEDNUIGOBGO-UHFFFAOYSA-N 1 1 464.618 3.208 20 0 JGADMO CC(C)CSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303249195 1067775364 /nfs/dbraw/zinc/77/53/64/1067775364.db2.gz OBCLOHADEBDPTD-JOCHJYFZSA-N 1 1 488.677 3.140 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001304702980 1067775559 /nfs/dbraw/zinc/77/55/59/1067775559.db2.gz BGPVUDVAHPLSTH-UHFFFAOYSA-N 1 1 464.618 3.248 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001304703847 1067776255 /nfs/dbraw/zinc/77/62/55/1067776255.db2.gz KBOGMTNTHMELKB-TUNNFDKTSA-N 1 1 471.650 3.274 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001304703796 1067776298 /nfs/dbraw/zinc/77/62/98/1067776298.db2.gz JNFWKZHJXXYJLT-UHFFFAOYSA-N 1 1 496.641 3.012 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1 ZINC001304704486 1067777368 /nfs/dbraw/zinc/77/73/68/1067777368.db2.gz ZUQALYPUAMVTIE-IBGZPJMESA-N 1 1 459.595 3.172 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001304705223 1067777759 /nfs/dbraw/zinc/77/77/59/1067777759.db2.gz WDTPNTZQBSYSQY-GDBMZVCRSA-N 1 1 462.480 3.155 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1 ZINC001304705450 1067778189 /nfs/dbraw/zinc/77/81/89/1067778189.db2.gz YMOCLWIPRSEQPL-IBGZPJMESA-N 1 1 474.034 3.398 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001304705795 1067778536 /nfs/dbraw/zinc/77/85/36/1067778536.db2.gz VEDZYCVZGWBASP-HXUWFJFHSA-N 1 1 464.618 3.314 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001304707813 1067779830 /nfs/dbraw/zinc/77/98/30/1067779830.db2.gz RCGQNEHVRUNTKE-UHFFFAOYSA-N 1 1 461.536 3.343 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cscn1 ZINC001303254770 1067780003 /nfs/dbraw/zinc/78/00/03/1067780003.db2.gz JSYUNLFOPQMCRQ-UHFFFAOYSA-N 1 1 467.643 3.496 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001303254605 1067780020 /nfs/dbraw/zinc/78/00/20/1067780020.db2.gz CGZHBQQPKFNWOJ-NRFANRHFSA-N 1 1 468.646 3.265 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001304708951 1067780170 /nfs/dbraw/zinc/78/01/70/1067780170.db2.gz IVZVRHJOHNFMGA-UHFFFAOYSA-N 1 1 499.685 3.363 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001303254899 1067780455 /nfs/dbraw/zinc/78/04/55/1067780455.db2.gz OOKWWEWZMFYWCH-HXUWFJFHSA-N 1 1 490.718 3.230 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001304709909 1067780674 /nfs/dbraw/zinc/78/06/74/1067780674.db2.gz ALPOOLXMOFVGOZ-UYAOXDASSA-N 1 1 480.617 3.209 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001303255065 1067780792 /nfs/dbraw/zinc/78/07/92/1067780792.db2.gz ULRHUTDCOSFCSB-UMSFTDKQSA-N 1 1 489.690 3.029 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)c1ccco1 ZINC001304710115 1067780993 /nfs/dbraw/zinc/78/09/93/1067780993.db2.gz DCKZLMFCZGQWKK-MRXNPFEDSA-N 1 1 454.556 3.344 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001304709935 1067781065 /nfs/dbraw/zinc/78/10/65/1067781065.db2.gz BAQDDMJKJZMNFG-AWEZNQCLSA-N 1 1 462.396 3.255 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001304710405 1067781461 /nfs/dbraw/zinc/78/14/61/1067781461.db2.gz KAKRHJVZFKMQNQ-UHFFFAOYSA-N 1 1 486.418 3.217 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001304710369 1067781479 /nfs/dbraw/zinc/78/14/79/1067781479.db2.gz HTBGSZMOHCQSFM-UHFFFAOYSA-N 1 1 483.489 3.236 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C ZINC001304710622 1067781514 /nfs/dbraw/zinc/78/15/14/1067781514.db2.gz LKKBCUHQYXHUJM-SFHVURJKSA-N 1 1 461.611 3.274 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001304711107 1067782192 /nfs/dbraw/zinc/78/21/92/1067782192.db2.gz AEKFDMHSMDWIKQ-ACJLOTCBSA-N 1 1 463.355 3.259 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001303256786 1067783632 /nfs/dbraw/zinc/78/36/32/1067783632.db2.gz CUFAOORPWCYKAN-QFIPXVFZSA-N 1 1 468.646 3.062 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303256770 1067783705 /nfs/dbraw/zinc/78/37/05/1067783705.db2.gz CDYWIIQKAFQRJM-DEOSSOPVSA-N 1 1 482.673 3.283 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001303257350 1067784102 /nfs/dbraw/zinc/78/41/02/1067784102.db2.gz GAFQZKVLWVBHJF-HSZRJFAPSA-N 1 1 468.646 3.070 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001304713616 1067784637 /nfs/dbraw/zinc/78/46/37/1067784637.db2.gz YLYVHFOVWZFAMF-UHFFFAOYSA-N 1 1 485.461 3.436 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 ZINC001303258243 1067784725 /nfs/dbraw/zinc/78/47/25/1067784725.db2.gz KERWUUDIAOFDTN-QFIPXVFZSA-N 1 1 462.038 3.494 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001304713851 1067785114 /nfs/dbraw/zinc/78/51/14/1067785114.db2.gz GBHSDECZXDPRKC-UHFFFAOYSA-N 1 1 460.007 3.131 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001303259434 1067785867 /nfs/dbraw/zinc/78/58/67/1067785867.db2.gz VUJGINOQVYGYNL-GEFUHLBYSA-N 1 1 451.681 3.378 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001303259440 1067785975 /nfs/dbraw/zinc/78/59/75/1067785975.db2.gz VUJGINOQVYGYNL-QJWGWKRISA-N 1 1 451.681 3.378 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CCCc2ccccc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001304714851 1067786575 /nfs/dbraw/zinc/78/65/75/1067786575.db2.gz JCIBJGYYLFEUIP-FQEVSTJZSA-N 1 1 489.546 3.163 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccn(C)n2)CC1 ZINC001303261313 1067786998 /nfs/dbraw/zinc/78/69/98/1067786998.db2.gz DUTLEDIWJUJSSM-UHFFFAOYSA-N 1 1 451.619 3.238 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001303261405 1067787045 /nfs/dbraw/zinc/78/70/45/1067787045.db2.gz HIBPJFHEYZYBFC-MRXNPFEDSA-N 1 1 463.424 3.105 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001304715778 1067787103 /nfs/dbraw/zinc/78/71/03/1067787103.db2.gz NPBXSFUQDNFIGT-QXAKKESOSA-N 1 1 483.583 3.475 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001303261510 1067787341 /nfs/dbraw/zinc/78/73/41/1067787341.db2.gz LBWNPBLRUSPPCP-UHFFFAOYSA-N 1 1 478.544 3.356 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(F)F)CC1 ZINC001303261421 1067787668 /nfs/dbraw/zinc/78/76/68/1067787668.db2.gz HTVMENVSQYXLEF-UHFFFAOYSA-N 1 1 472.588 3.453 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cnccn1 ZINC001303261611 1067788055 /nfs/dbraw/zinc/78/80/55/1067788055.db2.gz PDOOKXVRSXDAKB-UHFFFAOYSA-N 1 1 461.412 3.235 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CCCc3ccccc3)n2Cc2cnnn2C)CC1 ZINC001303261662 1067788145 /nfs/dbraw/zinc/78/81/45/1067788145.db2.gz RAQHLAXIVLYXAI-UHFFFAOYSA-N 1 1 450.635 3.187 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001304716573 1067788239 /nfs/dbraw/zinc/78/82/39/1067788239.db2.gz VBBACNANDDHNOG-GOSISDBHSA-N 1 1 486.020 3.409 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001303261747 1067788645 /nfs/dbraw/zinc/78/86/45/1067788645.db2.gz VGHFOBMNZPCUJR-GOSISDBHSA-N 1 1 484.464 3.061 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001303261783 1067788837 /nfs/dbraw/zinc/78/88/37/1067788837.db2.gz WMVXGKJWDYUHDI-FCHUYYIVSA-N 1 1 475.659 3.227 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001303261840 1067788912 /nfs/dbraw/zinc/78/89/12/1067788912.db2.gz YTQMNWYIIQEKKL-UHFFFAOYSA-N 1 1 466.472 3.307 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001303261840 1067788919 /nfs/dbraw/zinc/78/89/19/1067788919.db2.gz YTQMNWYIIQEKKL-UHFFFAOYSA-N 1 1 466.472 3.307 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001303262934 1067790369 /nfs/dbraw/zinc/79/03/69/1067790369.db2.gz JCEULTZBKZOIAT-LJQANCHMSA-N 1 1 495.093 3.333 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001303263795 1067791080 /nfs/dbraw/zinc/79/10/80/1067791080.db2.gz FKBOGBOUAHEFNM-UHFFFAOYSA-N 1 1 461.614 3.094 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001303263784 1067791266 /nfs/dbraw/zinc/79/12/66/1067791266.db2.gz FABVRFAEUYKOLE-MSOLQXFVSA-N 1 1 489.690 3.291 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304720277 1067791425 /nfs/dbraw/zinc/79/14/25/1067791425.db2.gz OSZBEHMOMHMDLZ-INIZCTEOSA-N 1 1 458.010 3.306 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001303264720 1067791910 /nfs/dbraw/zinc/79/19/10/1067791910.db2.gz NFVYUTGIUZYMQE-UHFFFAOYSA-N 1 1 479.604 3.101 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001303264481 1067791966 /nfs/dbraw/zinc/79/19/66/1067791966.db2.gz CDFGJHLPBAZBAY-UHFFFAOYSA-N 1 1 494.681 3.247 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC=C(Br)C1 ZINC001303265581 1067792671 /nfs/dbraw/zinc/79/26/71/1067792671.db2.gz RGJDMYVZBGBVOW-UHFFFAOYSA-N 1 1 465.396 3.225 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001303265807 1067792749 /nfs/dbraw/zinc/79/27/49/1067792749.db2.gz LGGSMIHJRZTYNG-OAQYLSRUSA-N 1 1 475.659 3.000 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001303266595 1067793683 /nfs/dbraw/zinc/79/36/83/1067793683.db2.gz RRLFUKFBKBGXDM-OAQYLSRUSA-N 1 1 454.619 3.367 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001303266412 1067793879 /nfs/dbraw/zinc/79/38/79/1067793879.db2.gz PZGRMDVWWRWJTL-VQTJNVASSA-N 1 1 461.680 3.242 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001303266656 1067794135 /nfs/dbraw/zinc/79/41/35/1067794135.db2.gz SPHACWQGXHYFDC-GOSISDBHSA-N 1 1 498.491 3.309 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001303266880 1067794151 /nfs/dbraw/zinc/79/41/51/1067794151.db2.gz WVBDHGCPKBTYEP-QFIPXVFZSA-N 1 1 468.646 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001303266608 1067794356 /nfs/dbraw/zinc/79/43/56/1067794356.db2.gz RVKLKRTXTNWOLS-HSZRJFAPSA-N 1 1 480.078 3.268 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001303267943 1067795202 /nfs/dbraw/zinc/79/52/02/1067795202.db2.gz LDGCKRKRVPLYJO-UHFFFAOYSA-N 1 1 466.609 3.245 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001303268157 1067795714 /nfs/dbraw/zinc/79/57/14/1067795714.db2.gz BUTPVROIVUICGU-OAQYLSRUSA-N 1 1 459.660 3.102 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)CC1 ZINC001303268223 1067795786 /nfs/dbraw/zinc/79/57/86/1067795786.db2.gz OIOLTEFQSXQILE-UHFFFAOYSA-N 1 1 451.594 3.460 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303268251 1067795895 /nfs/dbraw/zinc/79/58/95/1067795895.db2.gz DAVSITZQGPRCSK-IFMALSPDSA-N 1 1 462.683 3.409 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001304724920 1067796985 /nfs/dbraw/zinc/79/69/85/1067796985.db2.gz FDFVTJJDQYBADZ-SFHVURJKSA-N 1 1 498.701 3.029 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001303268596 1067797043 /nfs/dbraw/zinc/79/70/43/1067797043.db2.gz JTMXNJMFFXBZAX-HXUWFJFHSA-N 1 1 456.570 3.160 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@](C)(O)c2cccs2)CC1 ZINC001304725106 1067797312 /nfs/dbraw/zinc/79/73/12/1067797312.db2.gz HQNMMTLIOZOFHD-QHCPKHFHSA-N 1 1 457.648 3.043 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)O)CC1 ZINC001304725384 1067797678 /nfs/dbraw/zinc/79/76/78/1067797678.db2.gz KYIXNEQJWKZOEX-IBGZPJMESA-N 1 1 485.608 3.001 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001303269241 1067797827 /nfs/dbraw/zinc/79/78/27/1067797827.db2.gz VBWKGUXWIZNTST-HZPDHXFCSA-N 1 1 451.413 3.239 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001303269273 1067797949 /nfs/dbraw/zinc/79/79/49/1067797949.db2.gz WLCUMPZIMVIPMK-HXUWFJFHSA-N 1 1 484.004 3.497 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCOc2ncccc2F)CC1 ZINC001304725795 1067798073 /nfs/dbraw/zinc/79/80/73/1067798073.db2.gz JXCGLHBOWQDWHT-UHFFFAOYSA-N 1 1 484.624 3.152 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2CCCCO2)CC1 ZINC001304726585 1067799006 /nfs/dbraw/zinc/79/90/06/1067799006.db2.gz XZMHKJRABFEHBC-NRFANRHFSA-N 1 1 457.667 3.498 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)c2ccccc2)CC1 ZINC001304726355 1067799120 /nfs/dbraw/zinc/79/91/20/1067799120.db2.gz ZPMWYVORPHVOTA-FQEVSTJZSA-N 1 1 492.672 3.283 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCSC(F)(F)F)CC1 ZINC001304726459 1067799141 /nfs/dbraw/zinc/79/91/41/1067799141.db2.gz VBZWYQSPUXUGRR-UHFFFAOYSA-N 1 1 480.564 3.266 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001303270448 1067799151 /nfs/dbraw/zinc/79/91/51/1067799151.db2.gz AFNHBSSQMSOBCI-UHFFFAOYSA-N 1 1 485.995 3.435 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001304726356 1067799154 /nfs/dbraw/zinc/79/91/54/1067799154.db2.gz ZPMWYVORPHVOTA-HXUWFJFHSA-N 1 1 492.672 3.283 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001303271402 1067800253 /nfs/dbraw/zinc/80/02/53/1067800253.db2.gz QWQMMSHTRHSQSE-AWEZNQCLSA-N 1 1 469.453 3.201 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001303271765 1067800569 /nfs/dbraw/zinc/80/05/69/1067800569.db2.gz UOVYALVLIBDAAU-OALUTQOASA-N 1 1 475.435 3.295 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001303271764 1067800620 /nfs/dbraw/zinc/80/06/20/1067800620.db2.gz UOVYALVLIBDAAU-MOPGFXCFSA-N 1 1 475.435 3.295 20 0 JGADMO Cc1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CCOC(C)C)CC2)n(C)n1 ZINC001304729057 1067800818 /nfs/dbraw/zinc/80/08/18/1067800818.db2.gz UXCWPDVVKLQHHE-HXUWFJFHSA-N 1 1 485.608 3.194 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001303272118 1067800991 /nfs/dbraw/zinc/80/09/91/1067800991.db2.gz XQPHNKCNJCWTSY-UHFFFAOYSA-N 1 1 476.572 3.335 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303274269 1067801600 /nfs/dbraw/zinc/80/16/00/1067801600.db2.gz BNDRKVCIKFFTHS-FQEVSTJZSA-N 1 1 486.642 3.344 20 0 JGADMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273178 1067801791 /nfs/dbraw/zinc/80/17/91/1067801791.db2.gz IDBQNHGEBMCLKG-CVEARBPZSA-N 1 1 458.282 3.357 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001303274446 1067802165 /nfs/dbraw/zinc/80/21/65/1067802165.db2.gz GJNRRFMVEFZOAV-UHFFFAOYSA-N 1 1 456.610 3.306 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001303275485 1067802910 /nfs/dbraw/zinc/80/29/10/1067802910.db2.gz YMGOBZAKFOYSKM-JOCHJYFZSA-N 1 1 454.619 3.259 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+](C)C(C)C)CC1 ZINC001303278419 1067806722 /nfs/dbraw/zinc/80/67/22/1067806722.db2.gz CYHRWZBDZJHXRG-UHFFFAOYSA-N 1 1 474.625 3.420 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CC[C@@H](C)C2)n1 ZINC001304740274 1067815055 /nfs/dbraw/zinc/81/50/55/1067815055.db2.gz HHZHBKFPKHTCLK-DENIHFKCSA-N 1 1 457.667 3.371 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001304741429 1067817391 /nfs/dbraw/zinc/81/73/91/1067817391.db2.gz VXEVESKKAHANAP-DENIHFKCSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304741429 1067817408 /nfs/dbraw/zinc/81/74/08/1067817408.db2.gz VXEVESKKAHANAP-DENIHFKCSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304741429 1067817425 /nfs/dbraw/zinc/81/74/25/1067817425.db2.gz VXEVESKKAHANAP-DENIHFKCSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CC[N@@H+]2CC=CCC2)n1 ZINC001304741469 1067817619 /nfs/dbraw/zinc/81/76/19/1067817619.db2.gz XANUIJNPVNMXJT-UHFFFAOYSA-N 1 1 476.629 3.093 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@]2(C)CCCS2)n1 ZINC001304741425 1067817799 /nfs/dbraw/zinc/81/77/99/1067817799.db2.gz RSFMSSUGMKFWSO-DEOSSOPVSA-N 1 1 475.707 3.220 20 0 JGADMO CC(C)[NH+](CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCSCC1)C(C)C ZINC001303298026 1067822052 /nfs/dbraw/zinc/82/20/52/1067822052.db2.gz ZWHBNGFPTVPSNV-UHFFFAOYSA-N 1 1 485.746 3.315 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC[C@H]2CCCCO2)n1 ZINC001304745344 1067824634 /nfs/dbraw/zinc/82/46/34/1067824634.db2.gz PLSJTOMVLOFKAG-XPWALMASSA-N 1 1 473.666 3.034 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC[C@H]2CCCCO2)n1 ZINC001304745344 1067824656 /nfs/dbraw/zinc/82/46/56/1067824656.db2.gz PLSJTOMVLOFKAG-XPWALMASSA-N 1 1 473.666 3.034 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(Cl)cc2)n1 ZINC001304745812 1067825599 /nfs/dbraw/zinc/82/55/99/1067825599.db2.gz WLJXGAZTCUVAFD-BGYRXZFFSA-N 1 1 472.037 3.387 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(Cl)cc2)n1 ZINC001304745812 1067825608 /nfs/dbraw/zinc/82/56/08/1067825608.db2.gz WLJXGAZTCUVAFD-BGYRXZFFSA-N 1 1 472.037 3.387 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001304749533 1067829532 /nfs/dbraw/zinc/82/95/32/1067829532.db2.gz LMMFVLHDFIDXPT-REWPJTCUSA-N 1 1 465.646 3.259 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC=CCO2)CC1 ZINC001303303863 1067829558 /nfs/dbraw/zinc/82/95/58/1067829558.db2.gz AMKFQAPDUKPGEE-NRFANRHFSA-N 1 1 473.021 3.127 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC=CCO2)CC1 ZINC001303303865 1067829697 /nfs/dbraw/zinc/82/96/97/1067829697.db2.gz AMKFQAPDUKPGEE-OAQYLSRUSA-N 1 1 473.021 3.127 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303852 1067829973 /nfs/dbraw/zinc/82/99/73/1067829973.db2.gz JUMUAGVASGSELF-MOPGFXCFSA-N 1 1 491.624 3.469 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@@H+](C)Cc2ccccc2)n1 ZINC001304749981 1067829890 /nfs/dbraw/zinc/82/98/90/1067829890.db2.gz HHDVLCQZMHPAHX-NRFANRHFSA-N 1 1 451.619 3.275 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001303304518 1067831034 /nfs/dbraw/zinc/83/10/34/1067831034.db2.gz NLWZOOGALUWXHC-UXHICEINSA-N 1 1 456.610 3.220 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001303304948 1067832931 /nfs/dbraw/zinc/83/29/31/1067832931.db2.gz LIWZSIPZUXAUFH-GOSISDBHSA-N 1 1 475.037 3.333 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCOC2)CC1 ZINC001303305218 1067833141 /nfs/dbraw/zinc/83/31/41/1067833141.db2.gz PBULCBBDEHTNTM-KRWDZBQOSA-N 1 1 465.440 3.393 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303305963 1067834114 /nfs/dbraw/zinc/83/41/14/1067834114.db2.gz XBBFYPXHNYIWAK-TZIWHRDSSA-N 1 1 451.681 3.460 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303305926 1067834447 /nfs/dbraw/zinc/83/44/47/1067834447.db2.gz WURWUOWSBVIXFB-AQNXPRMDSA-N 1 1 462.639 3.006 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001303307603 1067835789 /nfs/dbraw/zinc/83/57/89/1067835789.db2.gz DSSRCNJPTBEQEP-LJQANCHMSA-N 1 1 463.026 3.357 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CC1 ZINC001303309483 1067837015 /nfs/dbraw/zinc/83/70/15/1067837015.db2.gz BJYNKLLJXDWKLS-QFIPXVFZSA-N 1 1 459.660 3.124 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC001303309600 1067837116 /nfs/dbraw/zinc/83/71/16/1067837116.db2.gz FZNNSYHIAUMYKA-UHFFFAOYSA-N 1 1 474.675 3.155 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001303309972 1067837488 /nfs/dbraw/zinc/83/74/88/1067837488.db2.gz BPQIORDPRDVYMU-OAQYLSRUSA-N 1 1 468.646 3.354 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001303310400 1067838075 /nfs/dbraw/zinc/83/80/75/1067838075.db2.gz HGQYPOIBMADLDQ-HXUWFJFHSA-N 1 1 462.639 3.450 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 ZINC001303310628 1067838747 /nfs/dbraw/zinc/83/87/47/1067838747.db2.gz PVMDFJSDIXVPIL-FQEVSTJZSA-N 1 1 494.562 3.277 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCOC2)CC1 ZINC001303310489 1067838932 /nfs/dbraw/zinc/83/89/32/1067838932.db2.gz MWOKCLORWMMWSY-HXUWFJFHSA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001303310951 1067840003 /nfs/dbraw/zinc/84/00/03/1067840003.db2.gz OHBCPEQTXWMWJU-UHFFFAOYSA-N 1 1 478.037 3.363 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001303311139 1067840127 /nfs/dbraw/zinc/84/01/27/1067840127.db2.gz ROJDEPJYMWITFR-UHFFFAOYSA-N 1 1 467.593 3.426 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001303311593 1067840681 /nfs/dbraw/zinc/84/06/81/1067840681.db2.gz DGGWXZBAEZLVGK-UHFFFAOYSA-N 1 1 465.646 3.193 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC2([S@@](C)=O)CC2)CC1 ZINC001303311800 1067841091 /nfs/dbraw/zinc/84/10/91/1067841091.db2.gz MQRDDLYHHKJWSP-MUUNZHRXSA-N 1 1 466.449 3.149 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303311960 1067841493 /nfs/dbraw/zinc/84/14/93/1067841493.db2.gz SDINGSMQBNWIJP-OAQYLSRUSA-N 1 1 491.478 3.085 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001303311960 1067841501 /nfs/dbraw/zinc/84/15/01/1067841501.db2.gz SDINGSMQBNWIJP-OAQYLSRUSA-N 1 1 491.478 3.085 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@](C)(O)c2cccs2)n1 ZINC001304758565 1067843076 /nfs/dbraw/zinc/84/30/76/1067843076.db2.gz GLXSBFJYZHMMQD-HSZRJFAPSA-N 1 1 457.648 3.029 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CC(C)(C)C(F)(F)F)n1 ZINC001304758501 1067843220 /nfs/dbraw/zinc/84/32/20/1067843220.db2.gz FHXZXUFBZGVBJY-UHFFFAOYSA-N 1 1 493.582 3.174 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C4CCCCC4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304758817 1067844090 /nfs/dbraw/zinc/84/40/90/1067844090.db2.gz DNLJPZFNIOILRP-UHFFFAOYSA-N 1 1 484.693 3.099 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)c4ccsc4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304760084 1067845984 /nfs/dbraw/zinc/84/59/84/1067845984.db2.gz OJQVEDHZRPUKFA-OAQYLSRUSA-N 1 1 470.691 3.425 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(C4CCCC4)n3CCSC(F)(F)F)CC2)C1 ZINC001303318583 1067850320 /nfs/dbraw/zinc/85/03/20/1067850320.db2.gz VJQFKIFSFHIOSQ-IBGZPJMESA-N 1 1 490.640 3.420 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)n2CCSCC(C)C)n1 ZINC001304762885 1067850576 /nfs/dbraw/zinc/85/05/76/1067850576.db2.gz GAXYKFLLIBNKPK-UHFFFAOYSA-N 1 1 499.733 3.201 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc([C@H]4CCCO4)n3CCCC(C)(C)C)CC2)C1 ZINC001303318653 1067850692 /nfs/dbraw/zinc/85/06/92/1067850692.db2.gz XJWMPCRHWVNKHI-FCHUYYIVSA-N 1 1 462.683 3.187 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN4CCCC[C@@H]4C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304765283 1067854945 /nfs/dbraw/zinc/85/49/45/1067854945.db2.gz XDVJEQJNTGSPPQ-HSZRJFAPSA-N 1 1 456.683 3.323 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCOC(C)C)n1 ZINC001304765395 1067854965 /nfs/dbraw/zinc/85/49/65/1067854965.db2.gz ZTYMRHMXKNFKKP-UHFFFAOYSA-N 1 1 455.582 3.026 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@]1(O)CCC[C@H]1C ZINC001303328273 1067856148 /nfs/dbraw/zinc/85/61/48/1067856148.db2.gz NNDOCQAVRRJOQI-RQNQAMLKSA-N 1 1 468.646 3.068 20 0 JGADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)CCO2)n1 ZINC001304767958 1067858564 /nfs/dbraw/zinc/85/85/64/1067858564.db2.gz BQGYLMXIHIXSFL-LEWJYISDSA-N 1 1 457.667 3.415 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](C)Sc1ccccc1 ZINC001303340991 1067869721 /nfs/dbraw/zinc/86/97/21/1067869721.db2.gz NSNQPRWMVUCXFA-IBGZPJMESA-N 1 1 474.675 3.144 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](C)Sc1ccccc1 ZINC001303340991 1067869733 /nfs/dbraw/zinc/86/97/33/1067869733.db2.gz NSNQPRWMVUCXFA-IBGZPJMESA-N 1 1 474.675 3.144 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001303350187 1067877163 /nfs/dbraw/zinc/87/71/63/1067877163.db2.gz QETFSCQZGTTXAE-MOPGFXCFSA-N 1 1 458.607 3.240 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001303350190 1067877267 /nfs/dbraw/zinc/87/72/67/1067877267.db2.gz QETFSCQZGTTXAE-RTBURBONSA-N 1 1 458.607 3.240 20 0 JGADMO Cc1nnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001304782697 1067878180 /nfs/dbraw/zinc/87/81/80/1067878180.db2.gz IREYBEZLZKDSAT-UHFFFAOYSA-N 1 1 480.013 3.493 20 0 JGADMO Cc1nnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001304782697 1067878192 /nfs/dbraw/zinc/87/81/92/1067878192.db2.gz IREYBEZLZKDSAT-UHFFFAOYSA-N 1 1 480.013 3.493 20 0 JGADMO CC(C)NC(=O)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303354061 1067881250 /nfs/dbraw/zinc/88/12/50/1067881250.db2.gz QMXLRDNKXHPQFD-LJQANCHMSA-N 1 1 454.619 3.468 20 0 JGADMO Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001304787889 1067881328 /nfs/dbraw/zinc/88/13/28/1067881328.db2.gz JFKWNXIPTRHCPA-QIJUGHKUSA-N 1 1 480.579 3.339 20 0 JGADMO Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001304789096 1067882028 /nfs/dbraw/zinc/88/20/28/1067882028.db2.gz AOUBRPSCRABTMA-UHFFFAOYSA-N 1 1 454.619 3.168 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001303355268 1067883125 /nfs/dbraw/zinc/88/31/25/1067883125.db2.gz STTJZUTWXOIQAJ-QUCCMNQESA-N 1 1 497.644 3.485 20 0 JGADMO Cc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001304795878 1067883836 /nfs/dbraw/zinc/88/38/36/1067883836.db2.gz MDPZAPFKIQUJPI-FQEVSTJZSA-N 1 1 455.550 3.450 20 0 JGADMO Cc1nnc(N(C)Cc2csc(Br)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001304795772 1067883911 /nfs/dbraw/zinc/88/39/11/1067883911.db2.gz KLBATZFFWFEZFI-SFHVURJKSA-N 1 1 472.478 3.255 20 0 JGADMO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001304800715 1067885134 /nfs/dbraw/zinc/88/51/34/1067885134.db2.gz YZSYPGRCNGVIDB-PMACEKPBSA-N 1 1 454.619 3.412 20 0 JGADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001304803054 1067885494 /nfs/dbraw/zinc/88/54/94/1067885494.db2.gz WCXHZQQMTXPTPL-SLYNCCJLSA-N 1 1 474.654 3.095 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCCOC1CCOCC1 ZINC001303360181 1067888283 /nfs/dbraw/zinc/88/82/83/1067888283.db2.gz MACQLKGLPBGRRW-QFIPXVFZSA-N 1 1 498.672 3.103 20 0 JGADMO Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001304812628 1067888603 /nfs/dbraw/zinc/88/86/03/1067888603.db2.gz ZUTMSPXFWRQTIM-WWPVKYPJSA-N 1 1 484.645 3.227 20 0 JGADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001304820969 1067891368 /nfs/dbraw/zinc/89/13/68/1067891368.db2.gz CQZRFMBJROOAAP-IBGZPJMESA-N 1 1 476.666 3.361 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001303366037 1067893711 /nfs/dbraw/zinc/89/37/11/1067893711.db2.gz IPLDREQHOYCGAX-UHFFFAOYSA-N 1 1 479.576 3.018 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC1(F)CCC1 ZINC001303366967 1067896213 /nfs/dbraw/zinc/89/62/13/1067896213.db2.gz FRQFIUGSBDDCAO-KDURUIRLSA-N 1 1 464.630 3.024 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001303370284 1067900022 /nfs/dbraw/zinc/90/00/22/1067900022.db2.gz WYVARWZEVLYOGQ-IRMYBRCSSA-N 1 1 468.646 3.331 20 0 JGADMO Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001304846560 1067901726 /nfs/dbraw/zinc/90/17/26/1067901726.db2.gz XAFPUOYSISNKCB-NRFANRHFSA-N 1 1 482.526 3.342 20 0 JGADMO Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001304846560 1067901730 /nfs/dbraw/zinc/90/17/30/1067901730.db2.gz XAFPUOYSISNKCB-NRFANRHFSA-N 1 1 482.526 3.342 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303373414 1067903801 /nfs/dbraw/zinc/90/38/01/1067903801.db2.gz QNKVBKBGLQLVES-RTWAWAEBSA-N 1 1 466.586 3.108 20 0 JGADMO Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001304850489 1067903947 /nfs/dbraw/zinc/90/39/47/1067903947.db2.gz QIOWBAKHXZPHQW-LJQANCHMSA-N 1 1 456.610 3.127 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(OC3CCCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303373422 1067904169 /nfs/dbraw/zinc/90/41/69/1067904169.db2.gz QQLKZELBHNSLBN-UHFFFAOYSA-N 1 1 460.667 3.466 20 0 JGADMO Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001304852038 1067904714 /nfs/dbraw/zinc/90/47/14/1067904714.db2.gz QMFYTCJYQHDTFJ-GOSISDBHSA-N 1 1 468.627 3.047 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303374218 1067905835 /nfs/dbraw/zinc/90/58/35/1067905835.db2.gz SUAHBEOIKTWPJV-MRXNPFEDSA-N 1 1 476.572 3.225 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304857160 1067906855 /nfs/dbraw/zinc/90/68/55/1067906855.db2.gz ASYGPEBTHBSKFW-JOCHJYFZSA-N 1 1 481.689 3.020 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001303378510 1067907851 /nfs/dbraw/zinc/90/78/51/1067907851.db2.gz RUSDFBFLJJHCHX-PMACEKPBSA-N 1 1 460.667 3.465 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3ccccc3[C@@H]2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303379222 1067908605 /nfs/dbraw/zinc/90/86/05/1067908605.db2.gz SGNUKWJWYSTYAW-UXHICEINSA-N 1 1 454.619 3.041 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001304859029 1067909188 /nfs/dbraw/zinc/90/91/88/1067909188.db2.gz GPVUSHFZXNDBKW-FQEVSTJZSA-N 1 1 460.589 3.188 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303379775 1067909354 /nfs/dbraw/zinc/90/93/54/1067909354.db2.gz QITFSFKBLRNUQP-SFHVURJKSA-N 1 1 475.037 3.133 20 0 JGADMO Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001304860028 1067909595 /nfs/dbraw/zinc/90/95/95/1067909595.db2.gz KAZYLQNTHPFSMM-NFBKMPQASA-N 1 1 484.645 3.433 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001304863298 1067910855 /nfs/dbraw/zinc/91/08/55/1067910855.db2.gz VQMXBOZANPXUHD-IBGZPJMESA-N 1 1 464.408 3.038 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001304863298 1067910858 /nfs/dbraw/zinc/91/08/58/1067910858.db2.gz VQMXBOZANPXUHD-IBGZPJMESA-N 1 1 464.408 3.038 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304867520 1067912291 /nfs/dbraw/zinc/91/22/91/1067912291.db2.gz QZSCLIZHHYBQRF-LEWJYISDSA-N 1 1 494.562 3.126 20 0 JGADMO Cc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001304868883 1067912648 /nfs/dbraw/zinc/91/26/48/1067912648.db2.gz RKCCXMNVQGKYRQ-NVXWUHKLSA-N 1 1 462.561 3.458 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304872965 1067915275 /nfs/dbraw/zinc/91/52/75/1067915275.db2.gz ARDVUNJFYVICLN-QGZVFWFLSA-N 1 1 455.607 3.239 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304872965 1067915285 /nfs/dbraw/zinc/91/52/85/1067915285.db2.gz ARDVUNJFYVICLN-QGZVFWFLSA-N 1 1 455.607 3.239 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304873306 1067915772 /nfs/dbraw/zinc/91/57/72/1067915772.db2.gz HMMHDUIKEXGINV-RXVVDRJESA-N 1 1 474.650 3.375 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@H]1CCOC[C@@H]1C ZINC001303390158 1067919441 /nfs/dbraw/zinc/91/94/41/1067919441.db2.gz ZWSMACWFYFGMDP-FNAHDJPLSA-N 1 1 460.667 3.180 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCc1ccc(F)cc1Cl ZINC001303397296 1067926064 /nfs/dbraw/zinc/92/60/64/1067926064.db2.gz FJNNUEKVGNACAU-GOSISDBHSA-N 1 1 493.027 3.000 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001303398581 1067927113 /nfs/dbraw/zinc/92/71/13/1067927113.db2.gz XDARKIKYXORSMP-UHFFFAOYSA-N 1 1 495.672 3.033 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC[N@H+](C)C(C)C ZINC001304884753 1067929080 /nfs/dbraw/zinc/92/90/80/1067929080.db2.gz WPDTVFGIMPPZRS-UHFFFAOYSA-N 1 1 450.547 3.175 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304886971 1067931214 /nfs/dbraw/zinc/93/12/14/1067931214.db2.gz PYLJVXXXONNNBC-SANMLTNESA-N 1 1 482.629 3.462 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304886970 1067931221 /nfs/dbraw/zinc/93/12/21/1067931221.db2.gz PYLJVXXXONNNBC-AREMUKBSSA-N 1 1 482.629 3.462 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(CC(C)(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001304889898 1067934046 /nfs/dbraw/zinc/93/40/46/1067934046.db2.gz NMQFELMLASSKRD-HXUWFJFHSA-N 1 1 473.666 3.473 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001303407873 1067934473 /nfs/dbraw/zinc/93/44/73/1067934473.db2.gz KFYXQMMTKSGFFE-GOSISDBHSA-N 1 1 486.617 3.407 20 0 JGADMO Cc1noc(C2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)n1 ZINC001304891123 1067935464 /nfs/dbraw/zinc/93/54/64/1067935464.db2.gz CIIMUPQUAOCEOQ-GOSISDBHSA-N 1 1 459.639 3.443 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001303410518 1067936934 /nfs/dbraw/zinc/93/69/34/1067936934.db2.gz UHVBQTFSQXNFAO-GOSISDBHSA-N 1 1 486.617 3.407 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303413005 1067939139 /nfs/dbraw/zinc/93/91/39/1067939139.db2.gz BJTQRFZZXAYPBV-NRFANRHFSA-N 1 1 458.582 3.008 20 0 JGADMO Cc1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)on1 ZINC001304897137 1067941609 /nfs/dbraw/zinc/94/16/09/1067941609.db2.gz GWHUJFBKLSPJIT-UHFFFAOYSA-N 1 1 481.601 3.039 20 0 JGADMO Cc1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)on1 ZINC001304897137 1067941614 /nfs/dbraw/zinc/94/16/14/1067941614.db2.gz GWHUJFBKLSPJIT-UHFFFAOYSA-N 1 1 481.601 3.039 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[N@@H+](C)C(C)C ZINC001303414639 1067941589 /nfs/dbraw/zinc/94/15/89/1067941589.db2.gz MUAPTWQPRAYBBS-IBGZPJMESA-N 1 1 493.450 3.097 20 0 JGADMO Cc1noc(CCCn2c(N3CC[NH+](CCOc4ccccc4)CC3)nnc2C(C)(C)C)n1 ZINC001304897019 1067941641 /nfs/dbraw/zinc/94/16/41/1067941641.db2.gz DVBDTZJMKKMQLN-UHFFFAOYSA-N 1 1 453.591 3.101 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303416178 1067944009 /nfs/dbraw/zinc/94/40/09/1067944009.db2.gz MIDFQBFNTYLSGG-QHCPKHFHSA-N 1 1 482.673 3.376 20 0 JGADMO CC(C)NC(=O)c1nnc(Nc2ccn(C)n2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303421820 1067947614 /nfs/dbraw/zinc/94/76/14/1067947614.db2.gz YHJSBCBXZNOXKM-AZUAARDMSA-N 1 1 450.591 3.194 20 0 JGADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001304906715 1067950606 /nfs/dbraw/zinc/95/06/06/1067950606.db2.gz SZPBECLAHPCKNL-KRWDZBQOSA-N 1 1 460.026 3.315 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001303425732 1067950618 /nfs/dbraw/zinc/95/06/18/1067950618.db2.gz UBYNLXQQXNPKKY-UHFFFAOYSA-N 1 1 474.034 3.292 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304908540 1067951945 /nfs/dbraw/zinc/95/19/45/1067951945.db2.gz AXUPBYXGAQQGJN-KDURUIRLSA-N 1 1 474.675 3.110 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001303426826 1067952040 /nfs/dbraw/zinc/95/20/40/1067952040.db2.gz BZSBZUPTHKFNHH-GOSISDBHSA-N 1 1 475.037 3.203 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001304909314 1067952599 /nfs/dbraw/zinc/95/25/99/1067952599.db2.gz DCMQWMXYBZVGHW-VWPQPMDRSA-N 1 1 474.694 3.281 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(C3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304911117 1067954579 /nfs/dbraw/zinc/95/45/79/1067954579.db2.gz KNDLHLXBXFSVOV-WSTZPKSXSA-N 1 1 451.681 3.316 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304911988 1067955690 /nfs/dbraw/zinc/95/56/90/1067955690.db2.gz NQSAVONMJXEUNI-BHIFYINESA-N 1 1 476.710 3.433 20 0 JGADMO C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304912360 1067956086 /nfs/dbraw/zinc/95/60/86/1067956086.db2.gz OQPLERRFLHVNGF-HBMCJLEFSA-N 1 1 487.737 3.121 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304913173 1067957151 /nfs/dbraw/zinc/95/71/51/1067957151.db2.gz UTWCXRSSGOAKHG-HSALFYBXSA-N 1 1 498.738 3.039 20 0 JGADMO CC(C)[N@H+](C)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001304916143 1067959752 /nfs/dbraw/zinc/95/97/52/1067959752.db2.gz DTQFJRJUIWZTRO-PSWAGMNNSA-N 1 1 467.706 3.465 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001304916143 1067959759 /nfs/dbraw/zinc/95/97/59/1067959759.db2.gz DTQFJRJUIWZTRO-PSWAGMNNSA-N 1 1 467.706 3.465 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303441090 1067963642 /nfs/dbraw/zinc/96/36/42/1067963642.db2.gz OOMVAHQQURCFFH-KNQAVFIVSA-N 1 1 470.618 3.016 20 0 JGADMO CC(C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923320 1067965269 /nfs/dbraw/zinc/96/52/69/1067965269.db2.gz BZIPBUKUUNYFIK-AOHZBQACSA-N 1 1 481.689 3.118 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304923952 1067965865 /nfs/dbraw/zinc/96/58/65/1067965865.db2.gz HKVPCHFNBJVSTA-FXELSEDVSA-N 1 1 469.634 3.297 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001304924014 1067966278 /nfs/dbraw/zinc/96/62/78/1067966278.db2.gz GZRJAXCGUMLBSG-DYQZNNLLSA-N 1 1 498.676 3.453 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(COc3ccccc3F)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001304924134 1067966592 /nfs/dbraw/zinc/96/65/92/1067966592.db2.gz GCRNGWQXXMZTTN-BVFVYWQFSA-N 1 1 486.636 3.456 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924181 1067966653 /nfs/dbraw/zinc/96/66/53/1067966653.db2.gz HXCIMFKFWQSCGC-WOZUAGRISA-N 1 1 476.691 3.454 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001304924556 1067967330 /nfs/dbraw/zinc/96/73/30/1067967330.db2.gz JNECTWDYKHIOJR-CEXWTWQISA-N 1 1 480.583 3.176 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccn3C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304925167 1067968042 /nfs/dbraw/zinc/96/80/42/1067968042.db2.gz LXLJXYFAKPVJSV-QHAWAJNXSA-N 1 1 476.691 3.055 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)C2)C1 ZINC001304925076 1067968108 /nfs/dbraw/zinc/96/81/08/1067968108.db2.gz BMZLSHFVXVULNT-CALCHBBNSA-N 1 1 466.602 3.483 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccn3C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001304925162 1067968165 /nfs/dbraw/zinc/96/81/65/1067968165.db2.gz LXLJXYFAKPVJSV-HBMCJLEFSA-N 1 1 476.691 3.055 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001303448459 1067969670 /nfs/dbraw/zinc/96/96/70/1067969670.db2.gz PJYLAXODLBUIBT-RBBKRZOGSA-N 1 1 463.630 3.298 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001304926006 1067969839 /nfs/dbraw/zinc/96/98/39/1067969839.db2.gz OEFRPGSGXRZYRE-LRSLUSHPSA-N 1 1 481.707 3.291 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304925997 1067969963 /nfs/dbraw/zinc/96/99/63/1067969963.db2.gz OEFRPGSGXRZYRE-CIAFKFPVSA-N 1 1 481.707 3.291 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H]2CCOC2)C1 ZINC001304926554 1067970728 /nfs/dbraw/zinc/97/07/28/1067970728.db2.gz SELOZEVHKXTJIS-QHAWAJNXSA-N 1 1 489.686 3.189 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304927129 1067972399 /nfs/dbraw/zinc/97/23/99/1067972399.db2.gz IUSVBBNMLPCCFA-HBMCJLEFSA-N 1 1 488.702 3.499 20 0 JGADMO C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927080 1067972461 /nfs/dbraw/zinc/97/24/61/1067972461.db2.gz INOQGNHSYFNFKG-WCIQWLHISA-N 1 1 463.648 3.339 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001304927113 1067972515 /nfs/dbraw/zinc/97/25/15/1067972515.db2.gz IULBSOJNSGKCOS-BHIFYINESA-N 1 1 489.709 3.170 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccnc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927226 1067972890 /nfs/dbraw/zinc/97/28/90/1067972890.db2.gz VVHUNTAQEVDPJT-MESAYYPLSA-N 1 1 469.678 3.254 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)C1 ZINC001304927563 1067973832 /nfs/dbraw/zinc/97/38/32/1067973832.db2.gz VVMQOBNUZVDBTG-QHAWAJNXSA-N 1 1 459.683 3.181 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001304927683 1067973869 /nfs/dbraw/zinc/97/38/69/1067973869.db2.gz XTTQFIAKYXQRJR-CEXWTWQISA-N 1 1 457.648 3.235 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001304927537 1067973940 /nfs/dbraw/zinc/97/39/40/1067973940.db2.gz VQXNYPJPJBGRTG-QHAWAJNXSA-N 1 1 495.734 3.332 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001304927820 1067974342 /nfs/dbraw/zinc/97/43/42/1067974342.db2.gz YAQUPSXREFUVFM-BGYRXZFFSA-N 1 1 470.666 3.271 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928482 1067976231 /nfs/dbraw/zinc/97/62/31/1067976231.db2.gz OARMKMBQERHZIH-WOZUAGRISA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(N3CCC(Oc4ccnc(C(N)=O)c4)CC3)nnc2C(C)(C)C)C1 ZINC001304929632 1067978319 /nfs/dbraw/zinc/97/83/19/1067978319.db2.gz XIMDUVCZMJPNGS-BGYRXZFFSA-N 1 1 497.688 3.485 20 0 JGADMO CC(C)NC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001303459900 1067979370 /nfs/dbraw/zinc/97/93/70/1067979370.db2.gz KHXVEURXFORTGT-UHFFFAOYSA-N 1 1 498.676 3.305 20 0 JGADMO C[C@H]1C[C@H](N(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304947061 1067998651 /nfs/dbraw/zinc/99/86/51/1067998651.db2.gz FJMFWNDAHZHOJJ-RBBKRZOGSA-N 1 1 490.718 3.247 20 0 JGADMO C[C@@H]1C[C@@H](N(C)c2nnc([C@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001304950216 1068000357 /nfs/dbraw/zinc/00/03/57/1068000357.db2.gz MVCGTFXMLJRFID-PUHATCMVSA-N 1 1 489.686 3.096 20 0 JGADMO C[C@H]1C[C@H]1n1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304954796 1068002365 /nfs/dbraw/zinc/00/23/65/1068002365.db2.gz YUOXWZMSKYRBNJ-LJIGWXMPSA-N 1 1 451.413 3.172 20 0 JGADMO C[C@H]1C[C@H]1n1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304954796 1068002380 /nfs/dbraw/zinc/00/23/80/1068002380.db2.gz YUOXWZMSKYRBNJ-LJIGWXMPSA-N 1 1 451.413 3.172 20 0 JGADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)s2)o1 ZINC001303486572 1068009117 /nfs/dbraw/zinc/00/91/17/1068009117.db2.gz MYCXNAGFBQQLQF-LJQANCHMSA-N 1 1 452.580 3.135 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)O)CC1 ZINC001304977285 1068016436 /nfs/dbraw/zinc/01/64/36/1068016436.db2.gz QSWQPWFLPVGVGQ-KDURUIRLSA-N 1 1 492.615 3.312 20 0 JGADMO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC001304977681 1068016752 /nfs/dbraw/zinc/01/67/52/1068016752.db2.gz TUAFEUHRDNCWGN-AQNXPRMDSA-N 1 1 474.675 3.251 20 0 JGADMO CC1CCC([NH+]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCC(F)(F)F)CC2)CC1 ZINC001304979966 1068018585 /nfs/dbraw/zinc/01/85/85/1068018585.db2.gz APKTXQJPQDIKDM-ADKAHSJRSA-N 1 1 477.597 3.223 20 0 JGADMO CC1CCC([NH+]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCCC(F)(F)F)CC2)CC1 ZINC001304979967 1068018714 /nfs/dbraw/zinc/01/87/14/1068018714.db2.gz APKTXQJPQDIKDM-LXPRWKDFSA-N 1 1 477.597 3.223 20 0 JGADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303493341 1068018885 /nfs/dbraw/zinc/01/88/85/1068018885.db2.gz RNZGGFLRBRVAPK-XMSQKQJNSA-N 1 1 455.986 3.050 20 0 JGADMO CC1CCC([NH+]2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CCS(C)(=O)=O)CC2)CC1 ZINC001304981070 1068020685 /nfs/dbraw/zinc/02/06/85/1068020685.db2.gz YFUBIUISYXLGAR-UHFFFAOYSA-N 1 1 497.612 3.292 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001304981185 1068021157 /nfs/dbraw/zinc/02/11/57/1068021157.db2.gz NOSUXBSHSNTSRS-WMZOPIPTSA-N 1 1 465.689 3.095 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(CO)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303496553 1068023099 /nfs/dbraw/zinc/02/30/99/1068023099.db2.gz XFEYGEBZMJLAHX-HFZDXXHNSA-N 1 1 471.646 3.048 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001304989155 1068031371 /nfs/dbraw/zinc/03/13/71/1068031371.db2.gz RBTQVJHMQBSXRW-OFVILXPXSA-N 1 1 457.667 3.331 20 0 JGADMO C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304995547 1068038154 /nfs/dbraw/zinc/03/81/54/1068038154.db2.gz JVAPONRYDVDKKJ-MHECFPHRSA-N 1 1 477.053 3.339 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCOC(C)(C)C3)n2CCC[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303506144 1068040425 /nfs/dbraw/zinc/04/04/25/1068040425.db2.gz NVZSANFLIADRCB-SANMLTNESA-N 1 1 471.646 3.456 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303510296 1068044870 /nfs/dbraw/zinc/04/48/70/1068044870.db2.gz SJAVABRUEHSPRV-OOICKAIWSA-N 1 1 499.647 3.403 20 0 JGADMO CC(C)O[C@]1(c2nnc(Nc3ccn(C)n3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303510322 1068045011 /nfs/dbraw/zinc/04/50/11/1068045011.db2.gz SOZXMYQIJOONNF-NTKDMRAZSA-N 1 1 453.591 3.316 20 0 JGADMO CC(C)O[C@]1(c2nnc(Nc3ccn(C)n3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303510324 1068045041 /nfs/dbraw/zinc/04/50/41/1068045041.db2.gz SOZXMYQIJOONNF-YADARESESA-N 1 1 453.591 3.316 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001303511089 1068046611 /nfs/dbraw/zinc/04/66/11/1068046611.db2.gz RPAMVGCRPGUCBP-VUDCNRLCSA-N 1 1 492.064 3.482 20 0 JGADMO CC(C)Oc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001303512779 1068048531 /nfs/dbraw/zinc/04/85/31/1068048531.db2.gz YYTIVENIEFWVGR-UHFFFAOYSA-N 1 1 479.629 3.041 20 0 JGADMO CC(C)Oc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001303512779 1068048542 /nfs/dbraw/zinc/04/85/42/1068048542.db2.gz YYTIVENIEFWVGR-UHFFFAOYSA-N 1 1 479.629 3.041 20 0 JGADMO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001305007513 1068049229 /nfs/dbraw/zinc/04/92/29/1068049229.db2.gz FABGQXVQDFHSGI-RBUKOAKNSA-N 1 1 474.675 3.305 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305012577 1068052932 /nfs/dbraw/zinc/05/29/32/1068052932.db2.gz MUMPXFSGLPNBAR-SJBKTWHCSA-N 1 1 474.675 3.179 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001305013501 1068053939 /nfs/dbraw/zinc/05/39/39/1068053939.db2.gz JUXQAFXOJSVNOS-RTWAWAEBSA-N 1 1 460.667 3.420 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001303524314 1068054398 /nfs/dbraw/zinc/05/43/98/1068054398.db2.gz BVOLSMTVYIKWQF-BKMJKUGQSA-N 1 1 493.693 3.213 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N(C)C)CC1 ZINC001305013726 1068054503 /nfs/dbraw/zinc/05/45/03/1068054503.db2.gz LXDAHGUROFHKDB-UNMCSNQZSA-N 1 1 460.667 3.131 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)CC1 ZINC001305014074 1068055075 /nfs/dbraw/zinc/05/50/75/1068055075.db2.gz CWIORRGLRAVYLZ-QGZVFWFLSA-N 1 1 475.435 3.298 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)C1 ZINC001305014336 1068055589 /nfs/dbraw/zinc/05/55/89/1068055589.db2.gz RLVFSYDRNIJXBF-UYAOXDASSA-N 1 1 465.689 3.066 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001305015017 1068056481 /nfs/dbraw/zinc/05/64/81/1068056481.db2.gz BKPGDMJMBMUJPL-FQEVSTJZSA-N 1 1 488.080 3.073 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001305015334 1068057194 /nfs/dbraw/zinc/05/71/94/1068057194.db2.gz DKYLIOQDJNMREL-FGTMMUONSA-N 1 1 456.557 3.413 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCSCCCO)C1 ZINC001305015279 1068057358 /nfs/dbraw/zinc/05/73/58/1068057358.db2.gz VOEHEFLZACYQSS-VSKRKVRLSA-N 1 1 465.708 3.379 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cccn2C)nnc1N1CCC(CCC(N)=O)CC1 ZINC001305015323 1068057513 /nfs/dbraw/zinc/05/75/13/1068057513.db2.gz VXJCVOLWXYOYBS-HXUWFJFHSA-N 1 1 455.651 3.420 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cccn2C)nnc1N1CCC(CCC(N)=O)CC1 ZINC001305015322 1068057619 /nfs/dbraw/zinc/05/76/19/1068057619.db2.gz VXJCVOLWXYOYBS-FQEVSTJZSA-N 1 1 455.651 3.420 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1)C(F)(F)F ZINC001305015806 1068057831 /nfs/dbraw/zinc/05/78/31/1068057831.db2.gz XDSJYBKXXBCRRU-RBUKOAKNSA-N 1 1 482.599 3.406 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001303529851 1068058158 /nfs/dbraw/zinc/05/81/58/1068058158.db2.gz DKZKPDZSJLRGCU-ZCNNSNEGSA-N 1 1 451.656 3.094 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NC(C)(C)C)C1 ZINC001305016186 1068059099 /nfs/dbraw/zinc/05/90/99/1068059099.db2.gz ZKCLZKJNOAVJHQ-QHAWAJNXSA-N 1 1 460.667 3.178 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305016658 1068059692 /nfs/dbraw/zinc/05/96/92/1068059692.db2.gz IHYZSOMUHGASAC-GMAHTHKFSA-N 1 1 473.687 3.341 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(Cc2ccncc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001305018153 1068062126 /nfs/dbraw/zinc/06/21/26/1068062126.db2.gz SFIPGJLSCGUVQA-FQEVSTJZSA-N 1 1 453.635 3.010 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305018524 1068062641 /nfs/dbraw/zinc/06/26/41/1068062641.db2.gz NUTSETKZAYFJJD-PMACEKPBSA-N 1 1 456.610 3.330 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001303535906 1068064499 /nfs/dbraw/zinc/06/44/99/1068064499.db2.gz GWYUXXXOYCOCDA-HSZRJFAPSA-N 1 1 456.635 3.159 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001303535977 1068064523 /nfs/dbraw/zinc/06/45/23/1068064523.db2.gz HKPUESOSJMENKA-GMAHTHKFSA-N 1 1 456.635 3.015 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001303535908 1068064659 /nfs/dbraw/zinc/06/46/59/1068064659.db2.gz XNNMYUDBIBAVED-LEWJYISDSA-N 1 1 457.623 3.020 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305018955 1068065106 /nfs/dbraw/zinc/06/51/06/1068065106.db2.gz UZZVSMDVNWZLLI-NJYVYQBISA-N 1 1 476.666 3.492 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305019597 1068066366 /nfs/dbraw/zinc/06/63/66/1068066366.db2.gz LFSCUAMFZPEIPH-GMAHTHKFSA-N 1 1 489.686 3.178 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 ZINC001305019757 1068066884 /nfs/dbraw/zinc/06/68/84/1068066884.db2.gz RUXAGDIWEHZEHG-LJQANCHMSA-N 1 1 483.642 3.040 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)C1 ZINC001305019914 1068067139 /nfs/dbraw/zinc/06/71/39/1068067139.db2.gz OHWSRKLCMBFDMB-NQIIRXRSSA-N 1 1 487.693 3.144 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001305019770 1068067194 /nfs/dbraw/zinc/06/71/94/1068067194.db2.gz XQHGSULJQFTUJK-QGZVFWFLSA-N 1 1 452.525 3.498 20 0 JGADMO CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303538335 1068067569 /nfs/dbraw/zinc/06/75/69/1068067569.db2.gz DDCVQWSZRIXXTJ-FXAWDEMLSA-N 1 1 495.466 3.398 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(Cc2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305020104 1068067594 /nfs/dbraw/zinc/06/75/94/1068067594.db2.gz SUAPXSSBEGTQDV-DFBJGRDBSA-N 1 1 456.610 3.364 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305020520 1068067829 /nfs/dbraw/zinc/06/78/29/1068067829.db2.gz BYCYXMBGUNPPAX-WOJBJXKFSA-N 1 1 478.645 3.341 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 ZINC001305020325 1068067928 /nfs/dbraw/zinc/06/79/28/1068067928.db2.gz NWUSFHNCUODMGE-UXHICEINSA-N 1 1 494.706 3.183 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305020518 1068068025 /nfs/dbraw/zinc/06/80/25/1068068025.db2.gz BYCYXMBGUNPPAX-VQTJNVASSA-N 1 1 478.645 3.341 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305020402 1068068542 /nfs/dbraw/zinc/06/85/42/1068068542.db2.gz PLARPQWEYGYZBF-OALUTQOASA-N 1 1 472.609 3.208 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305020455 1068068568 /nfs/dbraw/zinc/06/85/68/1068068568.db2.gz QSUQGOCXTUHPMH-VQTJNVASSA-N 1 1 481.707 3.085 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCCO)CC1 ZINC001305020879 1068069387 /nfs/dbraw/zinc/06/93/87/1068069387.db2.gz WGHHJPQRDGFEKO-FQEVSTJZSA-N 1 1 469.634 3.179 20 0 JGADMO C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001305021149 1068070055 /nfs/dbraw/zinc/07/00/55/1068070055.db2.gz WVDWEAHCEXUJAX-VXKWHMMOSA-N 1 1 487.737 3.310 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001305021073 1068070326 /nfs/dbraw/zinc/07/03/26/1068070326.db2.gz PZDOGICQXCCOLN-OALUTQOASA-N 1 1 488.637 3.328 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCN2CCOCC2)C1 ZINC001305021374 1068070636 /nfs/dbraw/zinc/07/06/36/1068070636.db2.gz VNSBKHQHSROOLW-OAQYLSRUSA-N 1 1 472.653 3.287 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305021637 1068070917 /nfs/dbraw/zinc/07/09/17/1068070917.db2.gz YTTLJKANWQKAAP-MOPGFXCFSA-N 1 1 474.600 3.469 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305021724 1068071686 /nfs/dbraw/zinc/07/16/86/1068071686.db2.gz ZKWZQCAJXHKMIM-GXRSIYKFSA-N 1 1 495.734 3.475 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305021899 1068072254 /nfs/dbraw/zinc/07/22/54/1068072254.db2.gz INSIRNHFWYDNAE-ZWKOTPCHSA-N 1 1 460.648 3.093 20 0 JGADMO CC(C)OCCCCn1c(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001303544870 1068072717 /nfs/dbraw/zinc/07/27/17/1068072717.db2.gz OVFFLHSZTQYJNJ-QFIPXVFZSA-N 1 1 464.699 3.012 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022731 1068074055 /nfs/dbraw/zinc/07/40/55/1068074055.db2.gz CXWHGWGVPJXRFE-KZNAEPCWSA-N 1 1 451.612 3.074 20 0 JGADMO CC(C)OCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303548153 1068074948 /nfs/dbraw/zinc/07/49/48/1068074948.db2.gz FAOJKKFWGJNPHC-NRFANRHFSA-N 1 1 475.037 3.156 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001305023026 1068075505 /nfs/dbraw/zinc/07/55/05/1068075505.db2.gz PGLDIMIRKNRPID-MPCDZSKCSA-N 1 1 460.667 3.381 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023386 1068075791 /nfs/dbraw/zinc/07/57/91/1068075791.db2.gz HDVSYOJWHZRHAX-PMPSAXMXSA-N 1 1 493.425 3.279 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023379 1068076039 /nfs/dbraw/zinc/07/60/39/1068076039.db2.gz GYRWVDSIDOMOOO-DNVJHFABSA-N 1 1 473.710 3.045 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023971 1068077616 /nfs/dbraw/zinc/07/76/16/1068077616.db2.gz JKISXKVZTINDNT-FUHIMQAGSA-N 1 1 466.051 3.342 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001305024664 1068078800 /nfs/dbraw/zinc/07/88/00/1068078800.db2.gz MIQOAZVOENBPNN-HOTGVXAUSA-N 1 1 472.030 3.339 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025109 1068080312 /nfs/dbraw/zinc/08/03/12/1068080312.db2.gz KUFAIPHIQLRTFR-WOIUINJBSA-N 1 1 454.619 3.375 20 0 JGADMO C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025566 1068080794 /nfs/dbraw/zinc/08/07/94/1068080794.db2.gz NIIPWFFFLJFRQP-MSOLQXFVSA-N 1 1 460.623 3.378 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025975 1068081441 /nfs/dbraw/zinc/08/14/41/1068081441.db2.gz VFKYGFWFVAPHRA-CQOQZXRMSA-N 1 1 454.663 3.378 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025975 1068081453 /nfs/dbraw/zinc/08/14/53/1068081453.db2.gz VFKYGFWFVAPHRA-CQOQZXRMSA-N 1 1 454.663 3.378 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CC(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025722 1068081567 /nfs/dbraw/zinc/08/15/67/1068081567.db2.gz TXNLPDUWBMSJGY-SQNIBIBYSA-N 1 1 460.026 3.206 20 0 JGADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025769 1068081932 /nfs/dbraw/zinc/08/19/32/1068081932.db2.gz UOKKBLHZJJXAMO-IRXDYDNUSA-N 1 1 452.525 3.354 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305026931 1068083151 /nfs/dbraw/zinc/08/31/51/1068083151.db2.gz SCWSMLGNLCMERM-VXKWHMMOSA-N 1 1 470.710 3.433 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305026931 1068083165 /nfs/dbraw/zinc/08/31/65/1068083165.db2.gz SCWSMLGNLCMERM-VXKWHMMOSA-N 1 1 470.710 3.433 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCCO1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026997 1068083339 /nfs/dbraw/zinc/08/33/39/1068083339.db2.gz YUNLKMAFWJKPHO-HSALFYBXSA-N 1 1 455.607 3.051 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027450 1068083730 /nfs/dbraw/zinc/08/37/30/1068083730.db2.gz VIXBCLGVVYBKFS-NHCUHLMSSA-N 1 1 467.662 3.079 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305027449 1068083865 /nfs/dbraw/zinc/08/38/65/1068083865.db2.gz VIXBCLGVVYBKFS-LEWJYISDSA-N 1 1 467.662 3.079 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027266 1068083890 /nfs/dbraw/zinc/08/38/90/1068083890.db2.gz UXFJQBIXYGMPBS-QYZOEREBSA-N 1 1 490.590 3.315 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305027993 1068084283 /nfs/dbraw/zinc/08/42/83/1068084283.db2.gz BWFJNOHXBHMMDD-YZIHRLCOSA-N 1 1 493.693 3.274 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028143 1068084506 /nfs/dbraw/zinc/08/45/06/1068084506.db2.gz XQDPCSFCKZGKHX-ZHALLVOQSA-N 1 1 491.624 3.469 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305027992 1068084756 /nfs/dbraw/zinc/08/47/56/1068084756.db2.gz BWFJNOHXBHMMDD-YPCDYVTLSA-N 1 1 493.693 3.274 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305028570 1068085621 /nfs/dbraw/zinc/08/56/21/1068085621.db2.gz ZZAHUADHPMVUJA-FUPPJEDESA-N 1 1 467.662 3.125 20 0 JGADMO CC(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001303562429 1068085807 /nfs/dbraw/zinc/08/58/07/1068085807.db2.gz VAUJVAPTIYXVDF-JOCHJYFZSA-N 1 1 454.619 3.003 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCSC2)CC1 ZINC001303567477 1068090708 /nfs/dbraw/zinc/09/07/08/1068090708.db2.gz XRJLZTUARLRGSM-XUZZJYLKSA-N 1 1 481.707 3.009 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)C)n2Cc2cccc(N3CCCC3=O)c2)CC1 ZINC001303567604 1068091310 /nfs/dbraw/zinc/09/13/10/1068091310.db2.gz YLRVMAPJQFOBKX-UHFFFAOYSA-N 1 1 454.619 3.124 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCCC2)CC1 ZINC001303569525 1068091969 /nfs/dbraw/zinc/09/19/69/1068091969.db2.gz BGTXYTAOPQGSAT-UHFFFAOYSA-N 1 1 462.042 3.026 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001303570636 1068094304 /nfs/dbraw/zinc/09/43/04/1068094304.db2.gz VIPDPHAIORTIFQ-NRFANRHFSA-N 1 1 462.589 3.284 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC(C)(C)C)CC1 ZINC001303570563 1068094617 /nfs/dbraw/zinc/09/46/17/1068094617.db2.gz SERFLPSQAKXGBB-UHFFFAOYSA-N 1 1 460.623 3.379 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001305041159 1068095699 /nfs/dbraw/zinc/09/56/99/1068095699.db2.gz BQWNKTJETUHRSI-JOCHJYFZSA-N 1 1 481.689 3.471 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305041199 1068095988 /nfs/dbraw/zinc/09/59/88/1068095988.db2.gz CLLBENWKPJJPFH-AZUAARDMSA-N 1 1 465.689 3.066 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001305042054 1068097895 /nfs/dbraw/zinc/09/78/95/1068097895.db2.gz HQEHPTQCAKOQOR-KNQAVFIVSA-N 1 1 493.649 3.132 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305042845 1068099312 /nfs/dbraw/zinc/09/93/12/1068099312.db2.gz LLXHSOUSLABSOJ-PZJWPPBQSA-N 1 1 484.620 3.387 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305043698 1068100134 /nfs/dbraw/zinc/10/01/34/1068100134.db2.gz SKTOQCXUOLWKHA-OALUTQOASA-N 1 1 472.638 3.039 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305043701 1068100153 /nfs/dbraw/zinc/10/01/53/1068100153.db2.gz SKTOQCXUOLWKHA-RTBURBONSA-N 1 1 472.638 3.039 20 0 JGADMO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305044103 1068100286 /nfs/dbraw/zinc/10/02/86/1068100286.db2.gz ZBRVTTSZWRYCMK-PKTZIBPZSA-N 1 1 487.737 3.483 20 0 JGADMO CC(C)NC(=O)c1nnc(N2Cc3ccc(Br)cc3C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305043599 1068100296 /nfs/dbraw/zinc/10/02/96/1068100296.db2.gz REYIPIOXWAKAIR-MRXNPFEDSA-N 1 1 475.435 3.431 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001305043693 1068100311 /nfs/dbraw/zinc/10/03/11/1068100311.db2.gz SKFWKQCFVUIRFN-SJORKVTESA-N 1 1 465.524 3.436 20 0 JGADMO CC(C)N(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044110 1068100722 /nfs/dbraw/zinc/10/07/22/1068100722.db2.gz WQWSAARZVJKWMF-MSOLQXFVSA-N 1 1 468.693 3.097 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001305044805 1068101963 /nfs/dbraw/zinc/10/19/63/1068101963.db2.gz AKMALFNXKTZTFY-ZHALLVOQSA-N 1 1 452.525 3.152 20 0 JGADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305044828 1068102022 /nfs/dbraw/zinc/10/20/22/1068102022.db2.gz AVQVSBTTYOUHQJ-OALUTQOASA-N 1 1 476.691 3.443 20 0 JGADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305044829 1068102026 /nfs/dbraw/zinc/10/20/26/1068102026.db2.gz AVQVSBTTYOUHQJ-RBUKOAKNSA-N 1 1 476.691 3.443 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001305046470 1068103862 /nfs/dbraw/zinc/10/38/62/1068103862.db2.gz JSJQLXGXQZCLCW-FQEVSTJZSA-N 1 1 490.643 3.426 20 0 JGADMO CC(C)SCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303579489 1068103923 /nfs/dbraw/zinc/10/39/23/1068103923.db2.gz XILMYQKFDKUVGA-VQTJNVASSA-N 1 1 494.706 3.055 20 0 JGADMO CC(C)SCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303579489 1068103931 /nfs/dbraw/zinc/10/39/31/1068103931.db2.gz XILMYQKFDKUVGA-VQTJNVASSA-N 1 1 494.706 3.055 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001305046335 1068104122 /nfs/dbraw/zinc/10/41/22/1068104122.db2.gz IOTOBZGYEBPZFV-IBGZPJMESA-N 1 1 467.584 3.480 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)C2)C1 ZINC001305046785 1068104523 /nfs/dbraw/zinc/10/45/23/1068104523.db2.gz JHFKHXBZXGZVNM-HNNXBMFYSA-N 1 1 481.464 3.217 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305046912 1068104532 /nfs/dbraw/zinc/10/45/32/1068104532.db2.gz CURBOYJBMSKKDI-GXRSIYKFSA-N 1 1 495.734 3.332 20 0 JGADMO CC(C)SCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303581738 1068105306 /nfs/dbraw/zinc/10/53/06/1068105306.db2.gz RNQPKCWRERMJKD-BGYRXZFFSA-N 1 1 471.675 3.204 20 0 JGADMO CC(C)SCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303581738 1068105310 /nfs/dbraw/zinc/10/53/10/1068105310.db2.gz RNQPKCWRERMJKD-BGYRXZFFSA-N 1 1 471.675 3.204 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)C1 ZINC001305047076 1068105397 /nfs/dbraw/zinc/10/53/97/1068105397.db2.gz ATZDBIRUOVVSGE-UGKGYDQZSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305047093 1068105435 /nfs/dbraw/zinc/10/54/35/1068105435.db2.gz LLYJPHLNSOBVRV-ROUUACIJSA-N 1 1 468.067 3.124 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305047518 1068105878 /nfs/dbraw/zinc/10/58/78/1068105878.db2.gz MKOMULRKCNPRGM-TZIWHRDSSA-N 1 1 469.634 3.099 20 0 JGADMO CC(C)SCCn1c([C@H]2CCCO2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303582967 1068106489 /nfs/dbraw/zinc/10/64/89/1068106489.db2.gz ZCRADAPRIUNLIJ-QHAWAJNXSA-N 1 1 450.697 3.266 20 0 JGADMO C[C@@H]1CN(CCN(C)c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305048157 1068107087 /nfs/dbraw/zinc/10/70/87/1068107087.db2.gz OHGIMOGUDWSJAY-PCCBWWKXSA-N 1 1 460.692 3.208 20 0 JGADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305048100 1068107140 /nfs/dbraw/zinc/10/71/40/1068107140.db2.gz NYYLNLBIQLRJOW-SBHAEUEKSA-N 1 1 475.659 3.115 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001305049124 1068108579 /nfs/dbraw/zinc/10/85/79/1068108579.db2.gz NZTKNNNEJCHKTK-TVFCKZIOSA-N 1 1 456.557 3.376 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303588761 1068109078 /nfs/dbraw/zinc/10/90/78/1068109078.db2.gz DHZZIZYGDGYWQG-MRXNPFEDSA-N 1 1 459.545 3.265 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001305049186 1068109176 /nfs/dbraw/zinc/10/91/76/1068109176.db2.gz MXTFLFCSZGNPFR-QZTJIDSGSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305050032 1068110338 /nfs/dbraw/zinc/11/03/38/1068110338.db2.gz QNDNAKSFSIWFTB-RTBURBONSA-N 1 1 495.640 3.283 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001305050006 1068111260 /nfs/dbraw/zinc/11/12/60/1068111260.db2.gz RTIPJLHRKCBIFF-SFHVURJKSA-N 1 1 460.598 3.079 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3ccccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305050036 1068111361 /nfs/dbraw/zinc/11/13/61/1068111361.db2.gz QPJPXASZOURXSR-OALUTQOASA-N 1 1 493.578 3.357 20 0 JGADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305050237 1068111909 /nfs/dbraw/zinc/11/19/09/1068111909.db2.gz VGHSOEFQGMVLOQ-KCZVDYSFSA-N 1 1 489.686 3.075 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305050569 1068113096 /nfs/dbraw/zinc/11/30/96/1068113096.db2.gz VWMWMQBDCUVNDI-CJFMBICVSA-N 1 1 463.667 3.444 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305051101 1068113725 /nfs/dbraw/zinc/11/37/25/1068113725.db2.gz OFGMXZNURJPSEL-NHCUHLMSSA-N 1 1 453.635 3.061 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001305050974 1068113738 /nfs/dbraw/zinc/11/37/38/1068113738.db2.gz YQGIMGJHTCTRLM-SIKLNZKXSA-N 1 1 475.659 3.292 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001305051169 1068114096 /nfs/dbraw/zinc/11/40/96/1068114096.db2.gz ZJTDSVBNYBJJEA-IRLDBZIGSA-N 1 1 499.660 3.350 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305051541 1068115045 /nfs/dbraw/zinc/11/50/45/1068115045.db2.gz POAJDPGKYNXCSI-FUHWJXTLSA-N 1 1 475.435 3.141 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001305052156 1068116196 /nfs/dbraw/zinc/11/61/96/1068116196.db2.gz ZCEDJORLGVRGKS-YADHBBJMSA-N 1 1 474.694 3.379 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(Br)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305052816 1068117006 /nfs/dbraw/zinc/11/70/06/1068117006.db2.gz VIXMTCDIPVMEMB-VQIMIIECSA-N 1 1 496.475 3.063 20 0 JGADMO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@H](C)C2)CC1 ZINC001305053625 1068117534 /nfs/dbraw/zinc/11/75/34/1068117534.db2.gz ZDVOTTAAKJLSJT-NRFANRHFSA-N 1 1 488.702 3.001 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@H](C)C2)CC1 ZINC001305053625 1068117537 /nfs/dbraw/zinc/11/75/37/1068117537.db2.gz ZDVOTTAAKJLSJT-NRFANRHFSA-N 1 1 488.702 3.001 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CC1 ZINC001303595861 1068118436 /nfs/dbraw/zinc/11/84/36/1068118436.db2.gz IORXWVLVEALLMI-RTBURBONSA-N 1 1 482.654 3.348 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001305057688 1068119767 /nfs/dbraw/zinc/11/97/67/1068119767.db2.gz BHJHTFIBUIILQC-MAUKXSAKSA-N 1 1 450.509 3.369 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccccc1F ZINC001305058176 1068120353 /nfs/dbraw/zinc/12/03/53/1068120353.db2.gz FSKXZFKXIYLLEQ-SFHVURJKSA-N 1 1 451.550 3.228 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001305057973 1068120388 /nfs/dbraw/zinc/12/03/88/1068120388.db2.gz CNTSHWGDDYLOSB-AZUAARDMSA-N 1 1 478.563 3.052 20 0 JGADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305058843 1068121493 /nfs/dbraw/zinc/12/14/93/1068121493.db2.gz JRWLUNZBISXFDN-PMACEKPBSA-N 1 1 482.654 3.349 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001305058699 1068121580 /nfs/dbraw/zinc/12/15/80/1068121580.db2.gz JGTSGYIYPSUORM-HTAPYJJXSA-N 1 1 466.552 3.278 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305058660 1068121666 /nfs/dbraw/zinc/12/16/66/1068121666.db2.gz IMVGGVRSJUVAAX-LJQANCHMSA-N 1 1 469.634 3.242 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001305058897 1068122232 /nfs/dbraw/zinc/12/22/32/1068122232.db2.gz KYKHNYVAFYLTLM-BRWVUGGUSA-N 1 1 467.586 3.140 20 0 JGADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCC[C@H]1C ZINC001305058844 1068122424 /nfs/dbraw/zinc/12/24/24/1068122424.db2.gz JRWLUNZBISXFDN-UXHICEINSA-N 1 1 482.654 3.349 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305058970 1068122563 /nfs/dbraw/zinc/12/25/63/1068122563.db2.gz KGGOJDZAPWUMED-LPHOPBHVSA-N 1 1 452.024 3.096 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305059403 1068122883 /nfs/dbraw/zinc/12/28/83/1068122883.db2.gz MFNGLUBZIPYHPW-PMACEKPBSA-N 1 1 471.650 3.461 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305059688 1068123858 /nfs/dbraw/zinc/12/38/58/1068123858.db2.gz NPXZHRTWXKJVCI-GOSISDBHSA-N 1 1 470.622 3.055 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305059745 1068123868 /nfs/dbraw/zinc/12/38/68/1068123868.db2.gz OCFBGZGCQBCYJN-OALUTQOASA-N 1 1 455.607 3.270 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cnn(C)c1 ZINC001305059992 1068124370 /nfs/dbraw/zinc/12/43/70/1068124370.db2.gz SPIORNGOTWJFSD-LJQANCHMSA-N 1 1 486.665 3.247 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060011 1068124608 /nfs/dbraw/zinc/12/46/08/1068124608.db2.gz STMAWNJGXUUBNV-NJYVYQBISA-N 1 1 476.666 3.350 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060523 1068125264 /nfs/dbraw/zinc/12/52/64/1068125264.db2.gz QEILZJPLNDVJMR-MOPGFXCFSA-N 1 1 457.623 3.451 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305060658 1068125348 /nfs/dbraw/zinc/12/53/48/1068125348.db2.gz WPMOHEKWPORXGS-HSALFYBXSA-N 1 1 462.639 3.498 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001305061350 1068126452 /nfs/dbraw/zinc/12/64/52/1068126452.db2.gz YTMGGZWMNCWHNM-AYLZSAKASA-N 1 1 452.628 3.122 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCOC1 ZINC001305061837 1068127745 /nfs/dbraw/zinc/12/77/45/1068127745.db2.gz ITSURMGSLLWWMK-LWYYNNOASA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCOC1 ZINC001305061840 1068128265 /nfs/dbraw/zinc/12/82/65/1068128265.db2.gz ITSURMGSLLWWMK-ZGXWSNOMSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001305062130 1068128866 /nfs/dbraw/zinc/12/88/66/1068128866.db2.gz XALXMRRTBJKRBU-GOSISDBHSA-N 1 1 461.010 3.167 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303604185 1068136482 /nfs/dbraw/zinc/13/64/82/1068136482.db2.gz VDOHJPBPEAXXNQ-ZUQCGGBESA-N 1 1 459.660 3.276 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303604185 1068136490 /nfs/dbraw/zinc/13/64/90/1068136490.db2.gz VDOHJPBPEAXXNQ-ZUQCGGBESA-N 1 1 459.660 3.276 20 0 JGADMO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CC[N@@H+](C)C1CCCC1 ZINC001303605136 1068137728 /nfs/dbraw/zinc/13/77/28/1068137728.db2.gz AXNZYIQGQDKFHS-RBBKRZOGSA-N 1 1 468.646 3.312 20 0 JGADMO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303607106 1068142639 /nfs/dbraw/zinc/14/26/39/1068142639.db2.gz XIVULWSIVMRJTO-FQEVSTJZSA-N 1 1 468.646 3.312 20 0 JGADMO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001303607106 1068142650 /nfs/dbraw/zinc/14/26/50/1068142650.db2.gz XIVULWSIVMRJTO-FQEVSTJZSA-N 1 1 468.646 3.312 20 0 JGADMO CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001305070647 1068144753 /nfs/dbraw/zinc/14/47/53/1068144753.db2.gz LXNDQENWVSBJPE-UHFFFAOYSA-N 1 1 488.080 3.124 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305072521 1068146221 /nfs/dbraw/zinc/14/62/21/1068146221.db2.gz RXCKYCZTMVZGFH-OAGGEKHMSA-N 1 1 451.413 3.381 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)[C@@H]1C ZINC001305072900 1068146865 /nfs/dbraw/zinc/14/68/65/1068146865.db2.gz VSOTZTUVKIDVRG-ARGWCVDVSA-N 1 1 452.372 3.148 20 0 JGADMO CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001303614537 1068148664 /nfs/dbraw/zinc/14/86/64/1068148664.db2.gz PSZHARBSXIZXAH-SJORKVTESA-N 1 1 453.484 3.413 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001305081507 1068154322 /nfs/dbraw/zinc/15/43/22/1068154322.db2.gz DDRUUGXYSQXZCE-RBUKOAKNSA-N 1 1 451.619 3.405 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303627758 1068158306 /nfs/dbraw/zinc/15/83/06/1068158306.db2.gz DJJKHORFFZUMEN-SFHVURJKSA-N 1 1 469.659 3.391 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001303627740 1068158378 /nfs/dbraw/zinc/15/83/78/1068158378.db2.gz DACNAMYEOCNYMI-PKOBYXMFSA-N 1 1 460.648 3.379 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCC(F)F)CC1 ZINC001303628950 1068160147 /nfs/dbraw/zinc/16/01/47/1068160147.db2.gz KOTPVVGMUWKHHR-OAHLLOKOSA-N 1 1 454.591 3.193 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303629680 1068160462 /nfs/dbraw/zinc/16/04/62/1068160462.db2.gz NJGDRZMGUHNZSZ-IAGOWNOFSA-N 1 1 472.581 3.221 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N(C)C)CC1 ZINC001303630224 1068161151 /nfs/dbraw/zinc/16/11/51/1068161151.db2.gz PZHHORNITLUUQA-HXUWFJFHSA-N 1 1 482.654 3.323 20 0 JGADMO C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC001305096213 1068163382 /nfs/dbraw/zinc/16/33/82/1068163382.db2.gz SAKPLGKCJURBKD-XPWALMASSA-N 1 1 453.679 3.075 20 0 JGADMO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC001305107578 1068176789 /nfs/dbraw/zinc/17/67/89/1068176789.db2.gz JRAYLTMAITVVKZ-SVFBPWRDSA-N 1 1 472.609 3.174 20 0 JGADMO C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001305108577 1068178038 /nfs/dbraw/zinc/17/80/38/1068178038.db2.gz UJUVGHSPIQPNJW-ZWKOTPCHSA-N 1 1 451.662 3.171 20 0 JGADMO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC001305111421 1068182924 /nfs/dbraw/zinc/18/29/24/1068182924.db2.gz CGUNWHUXDTWYFU-ZRBLBEILSA-N 1 1 489.753 3.068 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001303653254 1068183910 /nfs/dbraw/zinc/18/39/10/1068183910.db2.gz NLDVZXZXQLZFKC-BPUDTRNYSA-N 1 1 482.673 3.345 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001305111882 1068184807 /nfs/dbraw/zinc/18/48/07/1068184807.db2.gz GUBIPESYLGPGBV-HDICACEKSA-N 1 1 450.672 3.105 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C3CC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C[C@H](C)O1 ZINC001305112034 1068184963 /nfs/dbraw/zinc/18/49/63/1068184963.db2.gz DOBZIJMBMJFSQG-GASCZTMLSA-N 1 1 469.556 3.432 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001303654439 1068186090 /nfs/dbraw/zinc/18/60/90/1068186090.db2.gz VINWVWXSLYEYQU-QPPBQGQZSA-N 1 1 475.641 3.266 20 0 JGADMO CC(C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305112272 1068186105 /nfs/dbraw/zinc/18/61/05/1068186105.db2.gz GIFOHODHMUYDPH-BGYRXZFFSA-N 1 1 462.683 3.373 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)C[C@H](C)O1 ZINC001305112343 1068186173 /nfs/dbraw/zinc/18/61/73/1068186173.db2.gz KTFVEURYOKBEHR-BGYRXZFFSA-N 1 1 474.694 3.203 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@H](C)O1 ZINC001305112399 1068186749 /nfs/dbraw/zinc/18/67/49/1068186749.db2.gz LMOYLBHBOXJLOD-HDICACEKSA-N 1 1 487.052 3.175 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCc2nccs2)C[C@H](C)O1 ZINC001305112618 1068187418 /nfs/dbraw/zinc/18/74/18/1068187418.db2.gz NMDHYKPIRRVVKG-KDURUIRLSA-N 1 1 469.659 3.287 20 0 JGADMO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305113706 1068190559 /nfs/dbraw/zinc/19/05/59/1068190559.db2.gz VZTIVRRPUAFMTM-VXKWHMMOSA-N 1 1 469.678 3.072 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305113706 1068190565 /nfs/dbraw/zinc/19/05/65/1068190565.db2.gz VZTIVRRPUAFMTM-VXKWHMMOSA-N 1 1 469.678 3.072 20 0 JGADMO CC1CC[NH+](CCn2c(N3CCN(C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001305114957 1068193376 /nfs/dbraw/zinc/19/33/76/1068193376.db2.gz VHTWYCXYGHTNRC-QHCPKHFHSA-N 1 1 454.663 3.163 20 0 JGADMO C[C@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccsc2)C[C@H](C)O1 ZINC001305115373 1068193972 /nfs/dbraw/zinc/19/39/72/1068193972.db2.gz XNXBNTLSBUQSFB-ROUUACIJSA-N 1 1 460.648 3.100 20 0 JGADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305116848 1068196106 /nfs/dbraw/zinc/19/61/06/1068196106.db2.gz ISHSHONDGIAPPL-QFBILLFUSA-N 1 1 489.462 3.495 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001303665856 1068199317 /nfs/dbraw/zinc/19/93/17/1068199317.db2.gz APJMUYXSNXDRDI-UNMCSNQZSA-N 1 1 459.660 3.295 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001303665851 1068199334 /nfs/dbraw/zinc/19/93/34/1068199334.db2.gz APJMUYXSNXDRDI-IFMALSPDSA-N 1 1 459.660 3.295 20 0 JGADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+]1CC=CCC1 ZINC001305120766 1068202595 /nfs/dbraw/zinc/20/25/95/1068202595.db2.gz XFPZYHNYFYZCQX-OAHLLOKOSA-N 1 1 493.837 3.290 20 0 JGADMO C[C@H](CCn1c(Cc2ccsc2)nnc1N1CCS(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303669030 1068203958 /nfs/dbraw/zinc/20/39/58/1068203958.db2.gz RRHTUMBAZPHPRX-LJQANCHMSA-N 1 1 457.669 3.410 20 0 JGADMO C[C@@H]1CCCC[N@@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305122776 1068206364 /nfs/dbraw/zinc/20/63/64/1068206364.db2.gz PPUXQOHGFIGLRX-MOPGFXCFSA-N 1 1 455.607 3.194 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H](C(F)(F)F)O1 ZINC001305123537 1068208248 /nfs/dbraw/zinc/20/82/48/1068208248.db2.gz GVPVOSYFNZVHSS-IKGGRYGDSA-N 1 1 495.550 3.202 20 0 JGADMO C[C@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC001303672885 1068208952 /nfs/dbraw/zinc/20/89/52/1068208952.db2.gz FQIQMYKNWSZOEP-QVKFZJNVSA-N 1 1 491.459 3.471 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001303675466 1068213903 /nfs/dbraw/zinc/21/39/03/1068213903.db2.gz TUWNRKIRTSZJID-LEWJYISDSA-N 1 1 494.681 3.180 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001305131425 1068216580 /nfs/dbraw/zinc/21/65/80/1068216580.db2.gz CUVIMILPYNRPQQ-IYBDPMFKSA-N 1 1 453.429 3.390 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001305131424 1068216663 /nfs/dbraw/zinc/21/66/63/1068216663.db2.gz CUVIMILPYNRPQQ-HZPDHXFCSA-N 1 1 453.429 3.390 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001303682480 1068218973 /nfs/dbraw/zinc/21/89/73/1068218973.db2.gz DSHWXTXIJJSXAQ-TZIWHRDSSA-N 1 1 469.659 3.317 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)S1 ZINC001305133137 1068218910 /nfs/dbraw/zinc/21/89/10/1068218910.db2.gz LMTOJFKMMHAPQW-MDOVXXIYSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305135365 1068223580 /nfs/dbraw/zinc/22/35/80/1068223580.db2.gz GRYYPKJLMLRRRV-QAPCUYQASA-N 1 1 455.937 3.037 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Sc1ccccc1 ZINC001303687194 1068225226 /nfs/dbraw/zinc/22/52/26/1068225226.db2.gz VMCNNZHMEGAUMO-QHAWAJNXSA-N 1 1 486.686 3.240 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Sc1ccccc1 ZINC001303687194 1068225232 /nfs/dbraw/zinc/22/52/32/1068225232.db2.gz VMCNNZHMEGAUMO-QHAWAJNXSA-N 1 1 486.686 3.240 20 0 JGADMO C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305137589 1068228182 /nfs/dbraw/zinc/22/81/82/1068228182.db2.gz VYSHASKCMCDIAO-HAGHYFMRSA-N 1 1 494.731 3.129 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001303690309 1068230302 /nfs/dbraw/zinc/23/03/02/1068230302.db2.gz YNWUFYFQRNBMKO-FGZHOGPDSA-N 1 1 488.652 3.239 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC001303691617 1068231498 /nfs/dbraw/zinc/23/14/98/1068231498.db2.gz GAOOBGFUKSILLI-OAHLLOKOSA-N 1 1 451.413 3.383 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC001303691624 1068231628 /nfs/dbraw/zinc/23/16/28/1068231628.db2.gz GIQKGYFUHMTDSN-ROUUACIJSA-N 1 1 495.093 3.189 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCOCC1 ZINC001303692467 1068234638 /nfs/dbraw/zinc/23/46/38/1068234638.db2.gz XKGKHXFEYVWUMA-IAGOWNOFSA-N 1 1 478.435 3.432 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCCO[C@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305140608 1068235179 /nfs/dbraw/zinc/23/51/79/1068235179.db2.gz VHWWUQDSCGGKFJ-RTBURBONSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCCO[C@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305140608 1068235187 /nfs/dbraw/zinc/23/51/87/1068235187.db2.gz VHWWUQDSCGGKFJ-RTBURBONSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001305141738 1068237301 /nfs/dbraw/zinc/23/73/01/1068237301.db2.gz CZAKLBXVSXKBMJ-GJZGRUSLSA-N 1 1 470.437 3.105 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)C2)C1 ZINC001305141927 1068237424 /nfs/dbraw/zinc/23/74/24/1068237424.db2.gz CAXOETXLMLMFHJ-MOPGFXCFSA-N 1 1 477.700 3.411 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001305141747 1068237552 /nfs/dbraw/zinc/23/75/52/1068237552.db2.gz DFAUPEQONVAMFT-GASCZTMLSA-N 1 1 484.464 3.494 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001305141747 1068237564 /nfs/dbraw/zinc/23/75/64/1068237564.db2.gz DFAUPEQONVAMFT-GASCZTMLSA-N 1 1 484.464 3.494 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCOCC1)[NH+]1CCOCC1 ZINC001303696672 1068240187 /nfs/dbraw/zinc/24/01/87/1068240187.db2.gz RTIZZKVBSFZCPQ-KRWDZBQOSA-N 1 1 478.435 3.291 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001303698308 1068241464 /nfs/dbraw/zinc/24/14/64/1068241464.db2.gz CWPIITKSBSIEBH-JKSUJKDBSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)S1 ZINC001305143660 1068242294 /nfs/dbraw/zinc/24/22/94/1068242294.db2.gz VJFDOVVXFDYZBN-MDOVXXIYSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303701969 1068246391 /nfs/dbraw/zinc/24/63/91/1068246391.db2.gz YRMJYWRIPXNZRR-RJGXRXQPSA-N 1 1 477.657 3.406 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303707279 1068252342 /nfs/dbraw/zinc/25/23/42/1068252342.db2.gz HTYRXJRVPZNZNM-SFHVURJKSA-N 1 1 486.665 3.245 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1)[N@@H+](C)Cc1ccccc1 ZINC001303709674 1068256251 /nfs/dbraw/zinc/25/62/51/1068256251.db2.gz YRRXQUIJHFLZCM-LJQANCHMSA-N 1 1 467.618 3.034 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152695 1068259362 /nfs/dbraw/zinc/25/93/62/1068259362.db2.gz SNKDVBWUJAIZNC-GOSISDBHSA-N 1 1 497.585 3.183 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152695 1068259373 /nfs/dbraw/zinc/25/93/73/1068259373.db2.gz SNKDVBWUJAIZNC-GOSISDBHSA-N 1 1 497.585 3.183 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152695 1068259384 /nfs/dbraw/zinc/25/93/84/1068259384.db2.gz SNKDVBWUJAIZNC-GOSISDBHSA-N 1 1 497.585 3.183 20 0 JGADMO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303714008 1068259522 /nfs/dbraw/zinc/25/95/22/1068259522.db2.gz SNMOOCKFNGOJCV-IFMALSPDSA-N 1 1 488.702 3.174 20 0 JGADMO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303714011 1068259660 /nfs/dbraw/zinc/25/96/60/1068259660.db2.gz SNMOOCKFNGOJCV-UNMCSNQZSA-N 1 1 488.702 3.174 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001305153191 1068261282 /nfs/dbraw/zinc/26/12/82/1068261282.db2.gz XZCJBWBZCBRXBW-DENIHFKCSA-N 1 1 461.054 3.486 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303715548 1068261624 /nfs/dbraw/zinc/26/16/24/1068261624.db2.gz DCEIGEHLVKADRS-TZIWHRDSSA-N 1 1 480.579 3.377 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303715547 1068261709 /nfs/dbraw/zinc/26/17/09/1068261709.db2.gz DCEIGEHLVKADRS-PZJWPPBQSA-N 1 1 480.579 3.377 20 0 JGADMO CCOC(=O)C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)s1)c1ccc(F)cc1F ZINC001303715912 1068263148 /nfs/dbraw/zinc/26/31/48/1068263148.db2.gz AHLQZTXXQIVGLY-IBGZPJMESA-N 1 1 451.539 3.198 20 0 JGADMO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CCOC1)[N@@H+](C)C1CC1 ZINC001303715879 1068263220 /nfs/dbraw/zinc/26/32/20/1068263220.db2.gz FHBQEVROESXXAD-MOPGFXCFSA-N 1 1 476.666 3.348 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303716211 1068263286 /nfs/dbraw/zinc/26/32/86/1068263286.db2.gz DPKJACBRQULFPA-MOPGFXCFSA-N 1 1 476.666 3.491 20 0 JGADMO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CCOC1)[N@@H+](C)C1CC1 ZINC001303715880 1068263317 /nfs/dbraw/zinc/26/33/17/1068263317.db2.gz FHBQEVROESXXAD-OALUTQOASA-N 1 1 476.666 3.348 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305156595 1068264721 /nfs/dbraw/zinc/26/47/21/1068264721.db2.gz WFBLSANGEYDELJ-ZVDOUQERSA-N 1 1 470.618 3.015 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCN1CC(F)(F)F ZINC001305156681 1068265260 /nfs/dbraw/zinc/26/52/60/1068265260.db2.gz XLQOXOXXHYUWRI-SFHVURJKSA-N 1 1 466.552 3.129 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)CCN1CC(F)(F)F ZINC001305156681 1068265261 /nfs/dbraw/zinc/26/52/61/1068265261.db2.gz XLQOXOXXHYUWRI-SFHVURJKSA-N 1 1 466.552 3.129 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001305157102 1068265757 /nfs/dbraw/zinc/26/57/57/1068265757.db2.gz JQBNVRXIFKDVQY-PZJWPPBQSA-N 1 1 453.635 3.155 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303719599 1068268535 /nfs/dbraw/zinc/26/85/35/1068268535.db2.gz YNWVJYPAAWZFQB-URXFXBBRSA-N 1 1 482.673 3.387 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305159915 1068268640 /nfs/dbraw/zinc/26/86/40/1068268640.db2.gz GSQJLLBOVCQERK-OALUTQOASA-N 1 1 459.639 3.363 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001303723584 1068274465 /nfs/dbraw/zinc/27/44/65/1068274465.db2.gz UPASAVNTAUBEPV-OALUTQOASA-N 1 1 464.655 3.348 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001305166995 1068277760 /nfs/dbraw/zinc/27/77/60/1068277760.db2.gz JCODWPCCMTZHRV-YJBOKZPZSA-N 1 1 493.534 3.480 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303725924 1068278129 /nfs/dbraw/zinc/27/81/29/1068278129.db2.gz YVFUPUHBRLFOAC-KBMIEXCESA-N 1 1 478.682 3.423 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305173707 1068286378 /nfs/dbraw/zinc/28/63/78/1068286378.db2.gz FKFDFCRJCMATSZ-FGTMMUONSA-N 1 1 459.557 3.450 20 0 JGADMO C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001303734211 1068290665 /nfs/dbraw/zinc/29/06/65/1068290665.db2.gz DSJIGDSMAYPUEE-RZUBCFFCSA-N 1 1 493.622 3.228 20 0 JGADMO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303734939 1068291746 /nfs/dbraw/zinc/29/17/46/1068291746.db2.gz RPYCRVYKUDVNOI-OAQYLSRUSA-N 1 1 488.702 3.003 20 0 JGADMO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303734938 1068291815 /nfs/dbraw/zinc/29/18/15/1068291815.db2.gz RPYCRVYKUDVNOI-NRFANRHFSA-N 1 1 488.702 3.003 20 0 JGADMO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001303734971 1068291836 /nfs/dbraw/zinc/29/18/36/1068291836.db2.gz SRQZQSBCAOFUPG-QHCPKHFHSA-N 1 1 468.690 3.485 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183711 1068301663 /nfs/dbraw/zinc/30/16/63/1068301663.db2.gz RMSIDPITESPJDT-ZCNNSNEGSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1CCN(c2ccccc2)CC1)[NH+](C)C ZINC001303743000 1068301549 /nfs/dbraw/zinc/30/15/49/1068301549.db2.gz KMPJQTJQJMNHQU-QLBJFCOMSA-N 1 1 497.732 3.405 20 0 JGADMO C[C@@H](Cn1c(N2CC[NH+](C[C@@H]3CCCO3)CC2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001303743542 1068302643 /nfs/dbraw/zinc/30/26/43/1068302643.db2.gz NYUYGWNMKLGFAM-OALUTQOASA-N 1 1 464.655 3.132 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001303744161 1068304056 /nfs/dbraw/zinc/30/40/56/1068304056.db2.gz AWVLKZAQXZVQFP-KRWDZBQOSA-N 1 1 464.456 3.298 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305186493 1068304907 /nfs/dbraw/zinc/30/49/07/1068304907.db2.gz DXLWUPNCDLHIDC-RTBURBONSA-N 1 1 477.600 3.388 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001305187891 1068306867 /nfs/dbraw/zinc/30/68/67/1068306867.db2.gz GBPXLWPNCJDTCY-SIKLNZKXSA-N 1 1 489.064 3.080 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001305187882 1068307229 /nfs/dbraw/zinc/30/72/29/1068307229.db2.gz GBPXLWPNCJDTCY-DENIHFKCSA-N 1 1 489.064 3.080 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001305190024 1068310593 /nfs/dbraw/zinc/31/05/93/1068310593.db2.gz XWNHELONRIOFCV-GBESFXJTSA-N 1 1 463.573 3.262 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CC=CCC2)C[C@H](C(F)(F)F)O1 ZINC001305191751 1068314256 /nfs/dbraw/zinc/31/42/56/1068314256.db2.gz MBVZFRRERAVVCW-VQIMIIECSA-N 1 1 453.484 3.426 20 0 JGADMO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccon1)C[NH+]1CCOCC1 ZINC001303754570 1068317390 /nfs/dbraw/zinc/31/73/90/1068317390.db2.gz IZIVUARSVSTLTG-MSOLQXFVSA-N 1 1 458.538 3.150 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC001305195726 1068320861 /nfs/dbraw/zinc/32/08/61/1068320861.db2.gz DLSBQOTWSVFOCN-WBVHZDCISA-N 1 1 473.565 3.197 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC001303759228 1068323321 /nfs/dbraw/zinc/32/33/21/1068323321.db2.gz PWMSBYBQDKSYSO-DLBZAZTESA-N 1 1 454.040 3.492 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC001303759570 1068324458 /nfs/dbraw/zinc/32/44/58/1068324458.db2.gz SLNMTHPYKOADPZ-CZYKHXBRSA-N 1 1 490.693 3.453 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303759769 1068325125 /nfs/dbraw/zinc/32/51/25/1068325125.db2.gz DERYXJARHRFCOU-UXHICEINSA-N 1 1 499.660 3.190 20 0 JGADMO CC(C)[N@H+](C)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305204042 1068327938 /nfs/dbraw/zinc/32/79/38/1068327938.db2.gz MRLJSIZLRWVSCO-DEOSSOPVSA-N 1 1 497.732 3.377 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305204042 1068327956 /nfs/dbraw/zinc/32/79/56/1068327956.db2.gz MRLJSIZLRWVSCO-DEOSSOPVSA-N 1 1 497.732 3.377 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC001303761153 1068328279 /nfs/dbraw/zinc/32/82/79/1068328279.db2.gz ZXNGCOKRCCWACD-PKOBYXMFSA-N 1 1 467.536 3.406 20 0 JGADMO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)CC1)C[NH+]1CCOCC1 ZINC001303762955 1068331005 /nfs/dbraw/zinc/33/10/05/1068331005.db2.gz KVKUVTIHXWXDTB-GBESFXJTSA-N 1 1 498.619 3.253 20 0 JGADMO C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)CCc1nccs1)C[NH+]1CCOCC1 ZINC001303763432 1068332089 /nfs/dbraw/zinc/33/20/89/1068332089.db2.gz NJZNNRPZCJSVBJ-SFHVURJKSA-N 1 1 458.607 3.112 20 0 JGADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303764219 1068333953 /nfs/dbraw/zinc/33/39/53/1068333953.db2.gz RQCJBHDJQLBIJR-SIKLNZKXSA-N 1 1 475.609 3.216 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOC(C)(C)C)C[NH+]1CCOCC1 ZINC001303764572 1068334548 /nfs/dbraw/zinc/33/45/48/1068334548.db2.gz UNHZDYVEMXOOHB-PWRODBHTSA-N 1 1 465.683 3.416 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCOC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001305208623 1068337147 /nfs/dbraw/zinc/33/71/47/1068337147.db2.gz IVRNGJKZTMDKCM-SFHVURJKSA-N 1 1 474.675 3.395 20 0 JGADMO C[C@@H](CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305211984 1068342124 /nfs/dbraw/zinc/34/21/24/1068342124.db2.gz VUHSJXJVHPWVPQ-PMACEKPBSA-N 1 1 482.654 3.405 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303769406 1068342584 /nfs/dbraw/zinc/34/25/84/1068342584.db2.gz QJDIQFDSBPVQCJ-DYXWJJEUSA-N 1 1 469.634 3.098 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001303770672 1068344893 /nfs/dbraw/zinc/34/48/93/1068344893.db2.gz AXBIWGRXXAGQTA-LSDHHAIUSA-N 1 1 480.997 3.066 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001305215749 1068350875 /nfs/dbraw/zinc/35/08/75/1068350875.db2.gz GWNHHQDLLCYYAP-KHCICDEESA-N 1 1 461.582 3.109 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001305217715 1068354055 /nfs/dbraw/zinc/35/40/55/1068354055.db2.gz TYOSJAPTJPZHES-GGPKGHCWSA-N 1 1 462.639 3.448 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305218004 1068354669 /nfs/dbraw/zinc/35/46/69/1068354669.db2.gz UMMDGOQECNNVHU-ZSYWTGECSA-N 1 1 489.583 3.280 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303779706 1068357522 /nfs/dbraw/zinc/35/75/22/1068357522.db2.gz UOOUEORNPVECQF-DENIHFKCSA-N 1 1 459.660 3.470 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303779706 1068357533 /nfs/dbraw/zinc/35/75/33/1068357533.db2.gz UOOUEORNPVECQF-DENIHFKCSA-N 1 1 459.660 3.470 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)C(C)(C)C ZINC001305220339 1068357860 /nfs/dbraw/zinc/35/78/60/1068357860.db2.gz FFOIJGFCYKFTBE-IRXDYDNUSA-N 1 1 466.051 3.485 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCCO[C@H](C)C2)cn1 ZINC001305221039 1068359032 /nfs/dbraw/zinc/35/90/32/1068359032.db2.gz IISXPWULUNAIBQ-TZIWHRDSSA-N 1 1 457.623 3.180 20 0 JGADMO C[C@@H]1[C@@H](C)CCN1c1nnc(CNC(=O)c2cccs2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305221349 1068359992 /nfs/dbraw/zinc/35/99/92/1068359992.db2.gz JHTXWUJQDMJCLU-IPMKNSEASA-N 1 1 460.648 3.005 20 0 JGADMO C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC001305221351 1068360014 /nfs/dbraw/zinc/36/00/14/1068360014.db2.gz JHTXWUJQDMJCLU-QRVBRYPASA-N 1 1 460.648 3.005 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(Cl)s2)CCCO1 ZINC001305221403 1068360223 /nfs/dbraw/zinc/36/02/23/1068360223.db2.gz JZUVHVSSWWFMEE-QGZVFWFLSA-N 1 1 481.066 3.253 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C ZINC001305222067 1068362247 /nfs/dbraw/zinc/36/22/47/1068362247.db2.gz JOFXMUISNOINFT-HSALFYBXSA-N 1 1 462.639 3.150 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)N(C)C ZINC001305222326 1068362712 /nfs/dbraw/zinc/36/27/12/1068362712.db2.gz KAUYSCWMHFVZFK-UKRRQHHQSA-N 1 1 481.826 3.122 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(C)O ZINC001305222808 1068364065 /nfs/dbraw/zinc/36/40/65/1068364065.db2.gz MYNWJJBFULTDOA-AZUAARDMSA-N 1 1 476.666 3.227 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303783384 1068364472 /nfs/dbraw/zinc/36/44/72/1068364472.db2.gz RPMSAAKCBILATL-UGKGYDQZSA-N 1 1 486.686 3.271 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303783384 1068364487 /nfs/dbraw/zinc/36/44/87/1068364487.db2.gz RPMSAAKCBILATL-UGKGYDQZSA-N 1 1 486.686 3.271 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CC(C)(C)C)n1CCCS(=O)(=O)c1ccccc1 ZINC001305223731 1068365413 /nfs/dbraw/zinc/36/54/13/1068365413.db2.gz PJYZIZHUHQRELY-UXHICEINSA-N 1 1 459.660 3.404 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305224161 1068366084 /nfs/dbraw/zinc/36/60/84/1068366084.db2.gz QORGDQWTJPTATF-SQNIBIBYSA-N 1 1 484.592 3.005 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305224201 1068366185 /nfs/dbraw/zinc/36/61/85/1068366185.db2.gz QUAUHUAWXUJTLJ-LWIATZKVSA-N 1 1 476.666 3.430 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CC[C@@](O)(c4ccc(F)cc4)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224084 1068366240 /nfs/dbraw/zinc/36/62/40/1068366240.db2.gz WNOUQUNIKKMYAH-CLOONOSVSA-N 1 1 459.610 3.314 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCOC(C)(C)C2)CCCO1 ZINC001305224890 1068368236 /nfs/dbraw/zinc/36/82/36/1068368236.db2.gz ZWVFLZABMFWFQX-LJQANCHMSA-N 1 1 461.582 3.112 20 0 JGADMO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305225632 1068369399 /nfs/dbraw/zinc/36/93/99/1068369399.db2.gz VPCJFVOXZIMCLP-QHAWAJNXSA-N 1 1 484.645 3.486 20 0 JGADMO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305225623 1068369532 /nfs/dbraw/zinc/36/95/32/1068369532.db2.gz VPCJFVOXZIMCLP-NJDAHSKKSA-N 1 1 484.645 3.486 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305226348 1068370371 /nfs/dbraw/zinc/37/03/71/1068370371.db2.gz YPXJVSCAXZCESW-IEBWSBKVSA-N 1 1 491.587 3.097 20 0 JGADMO C[C@@H](N1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001303792867 1068377094 /nfs/dbraw/zinc/37/70/94/1068377094.db2.gz MDPCZZHIXUWMMJ-HXUWFJFHSA-N 1 1 487.574 3.469 20 0 JGADMO C[C@H](N1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001303792866 1068377174 /nfs/dbraw/zinc/37/71/74/1068377174.db2.gz MDPCZZHIXUWMMJ-FQEVSTJZSA-N 1 1 487.574 3.469 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001305233953 1068381241 /nfs/dbraw/zinc/38/12/41/1068381241.db2.gz IIRQAGIMIPVGMM-GBESFXJTSA-N 1 1 495.043 3.004 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001305233953 1068381255 /nfs/dbraw/zinc/38/12/55/1068381255.db2.gz IIRQAGIMIPVGMM-GBESFXJTSA-N 1 1 495.043 3.004 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCOCC2)C1 ZINC001303794973 1068381711 /nfs/dbraw/zinc/38/17/11/1068381711.db2.gz COWUJODTJOHIAM-WOJBJXKFSA-N 1 1 478.682 3.428 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001305234167 1068381978 /nfs/dbraw/zinc/38/19/78/1068381978.db2.gz LOATUEKYTJLTAV-GOSISDBHSA-N 1 1 458.994 3.173 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001305234167 1068381996 /nfs/dbraw/zinc/38/19/96/1068381996.db2.gz LOATUEKYTJLTAV-GOSISDBHSA-N 1 1 458.994 3.173 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001305235037 1068385570 /nfs/dbraw/zinc/38/55/70/1068385570.db2.gz ZSWOQBOFERAAHJ-IBGZPJMESA-N 1 1 468.646 3.055 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001305235037 1068385582 /nfs/dbraw/zinc/38/55/82/1068385582.db2.gz ZSWOQBOFERAAHJ-IBGZPJMESA-N 1 1 468.646 3.055 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001303797306 1068387249 /nfs/dbraw/zinc/38/72/49/1068387249.db2.gz LKNLJGZRHXZOOU-LJQANCHMSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001303797306 1068387267 /nfs/dbraw/zinc/38/72/67/1068387267.db2.gz LKNLJGZRHXZOOU-LJQANCHMSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303797459 1068387867 /nfs/dbraw/zinc/38/78/67/1068387867.db2.gz MOTSXLVXAXSRKO-CGBFIWBNSA-N 1 1 462.639 3.352 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303797463 1068388090 /nfs/dbraw/zinc/38/80/90/1068388090.db2.gz MOTSXLVXAXSRKO-DOADOZAASA-N 1 1 462.639 3.352 20 0 JGADMO C[C@@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)CCOC1(C)C ZINC001305240090 1068389628 /nfs/dbraw/zinc/38/96/28/1068389628.db2.gz MLSFXBOQCPPELR-SFHVURJKSA-N 1 1 475.659 3.227 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303800254 1068394421 /nfs/dbraw/zinc/39/44/21/1068394421.db2.gz XYZBYAKFUCWEPQ-PMACEKPBSA-N 1 1 499.660 3.190 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303800254 1068394441 /nfs/dbraw/zinc/39/44/41/1068394441.db2.gz XYZBYAKFUCWEPQ-PMACEKPBSA-N 1 1 499.660 3.190 20 0 JGADMO C[C@@H]1N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCOC1(C)C ZINC001305243696 1068396130 /nfs/dbraw/zinc/39/61/30/1068396130.db2.gz OTVXNKOUCRILAK-HKUYNNGSSA-N 1 1 474.675 3.394 20 0 JGADMO CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)c2)cc1 ZINC001303802372 1068399482 /nfs/dbraw/zinc/39/94/82/1068399482.db2.gz VLGNDXNAVFINMU-VLIAUNLRSA-N 1 1 451.976 3.362 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1CC[N@@H+](C)C1CCCC1 ZINC001303803075 1068401283 /nfs/dbraw/zinc/40/12/83/1068401283.db2.gz IJXQEUAVJXIFLM-HZPDHXFCSA-N 1 1 484.617 3.238 20 0 JGADMO C[C@@H]1OCC[C@]1(O)Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305249561 1068407960 /nfs/dbraw/zinc/40/79/60/1068407960.db2.gz KDJHOKUDXVZTNU-LVXARBLLSA-N 1 1 455.647 3.304 20 0 JGADMO C[C@@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1C ZINC001305254926 1068417341 /nfs/dbraw/zinc/41/73/41/1068417341.db2.gz MVFMVKNGUDLQAH-HOTGVXAUSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@H]1C ZINC001305254926 1068417346 /nfs/dbraw/zinc/41/73/46/1068417346.db2.gz MVFMVKNGUDLQAH-HOTGVXAUSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@H]1C ZINC001305254926 1068417350 /nfs/dbraw/zinc/41/73/50/1068417350.db2.gz MVFMVKNGUDLQAH-HOTGVXAUSA-N 1 1 496.523 3.392 20 0 JGADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305258953 1068425029 /nfs/dbraw/zinc/42/50/29/1068425029.db2.gz YDRCIBFBRHHSGC-JYJNAYRXSA-N 1 1 483.480 3.097 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001305261725 1068431416 /nfs/dbraw/zinc/43/14/16/1068431416.db2.gz IFDKHTWAMFSMQC-KRWDZBQOSA-N 1 1 480.455 3.261 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303818265 1068432198 /nfs/dbraw/zinc/43/21/98/1068432198.db2.gz ATBIIVAAMYLFPT-UWJYYQICSA-N 1 1 492.665 3.317 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCn2cc[nH+]c2C)C1 ZINC001305264215 1068441025 /nfs/dbraw/zinc/44/10/25/1068441025.db2.gz LAWQBZHHQPCZCD-KRWDZBQOSA-N 1 1 486.418 3.408 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001305264532 1068442392 /nfs/dbraw/zinc/44/23/92/1068442392.db2.gz GOVAWMWTXXZBQY-YADHBBJMSA-N 1 1 456.610 3.377 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303827172 1068445660 /nfs/dbraw/zinc/44/56/60/1068445660.db2.gz OSCOXVZCRXOOMF-HXHBTQRASA-N 1 1 492.665 3.174 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303828396 1068449042 /nfs/dbraw/zinc/44/90/42/1068449042.db2.gz VMSOPLFZLSDFLW-FHWLQOOXSA-N 1 1 460.648 3.234 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001305266426 1068450074 /nfs/dbraw/zinc/45/00/74/1068450074.db2.gz IPXVQORFJFWMEG-YLJYHZDGSA-N 1 1 450.591 3.224 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC001303832694 1068459251 /nfs/dbraw/zinc/45/92/51/1068459251.db2.gz YUKXNIHBVAQWMN-QKNQBKEWSA-N 1 1 492.665 3.142 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CC1(C)CC1 ZINC001303834211 1068461980 /nfs/dbraw/zinc/46/19/80/1068461980.db2.gz MOKFSUSNFRPYNE-MOPGFXCFSA-N 1 1 466.696 3.169 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CC1(C)CC1 ZINC001303834214 1068461989 /nfs/dbraw/zinc/46/19/89/1068461989.db2.gz MOKFSUSNFRPYNE-RTBURBONSA-N 1 1 466.696 3.169 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CCCS1 ZINC001303835070 1068464014 /nfs/dbraw/zinc/46/40/14/1068464014.db2.gz VOYCTOWFRHROJY-ZJOUEHCJSA-N 1 1 498.763 3.265 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CCC1CC1 ZINC001303835134 1068464108 /nfs/dbraw/zinc/46/41/08/1068464108.db2.gz WGILODNGJOHFOS-RTBURBONSA-N 1 1 466.696 3.169 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001305270873 1068467202 /nfs/dbraw/zinc/46/72/02/1068467202.db2.gz XYJQPWZPFJYZBX-OAQYLSRUSA-N 1 1 465.577 3.106 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C1 ZINC001305271643 1068469142 /nfs/dbraw/zinc/46/91/42/1068469142.db2.gz VFOQSMKIDOJCJO-IBGZPJMESA-N 1 1 470.647 3.114 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303843150 1068472926 /nfs/dbraw/zinc/47/29/26/1068472926.db2.gz VJEGPTACNRMZGP-UXHICEINSA-N 1 1 466.696 3.313 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001305272888 1068473422 /nfs/dbraw/zinc/47/34/22/1068473422.db2.gz VLYVJCMSNLKAQS-SFTDATJTSA-N 1 1 454.619 3.145 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305272945 1068474035 /nfs/dbraw/zinc/47/40/35/1068474035.db2.gz ZBULBGZWXJGRHL-MOPGFXCFSA-N 1 1 474.600 3.374 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001305273360 1068474591 /nfs/dbraw/zinc/47/45/91/1068474591.db2.gz XHBNLKKQWLQNNI-JOCHJYFZSA-N 1 1 498.672 3.080 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001305273360 1068474594 /nfs/dbraw/zinc/47/45/94/1068474594.db2.gz XHBNLKKQWLQNNI-JOCHJYFZSA-N 1 1 498.672 3.080 20 0 JGADMO CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305275866 1068477435 /nfs/dbraw/zinc/47/74/35/1068477435.db2.gz DBHAMYBMUVMRAJ-UHFFFAOYSA-N 1 1 481.649 3.152 20 0 JGADMO CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001305276709 1068478287 /nfs/dbraw/zinc/47/82/87/1068478287.db2.gz GMKASXJLLFWZDM-FQEVSTJZSA-N 1 1 484.645 3.141 20 0 JGADMO C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC001303847494 1068481741 /nfs/dbraw/zinc/48/17/41/1068481741.db2.gz WVXQRQNCALXTTJ-QGZVFWFLSA-N 1 1 451.596 3.124 20 0 JGADMO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC001303849942 1068484847 /nfs/dbraw/zinc/48/48/47/1068484847.db2.gz XEDMMTWOERMNEY-AWEZNQCLSA-N 1 1 457.987 3.459 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC1=CCCCC1 ZINC001303850324 1068485436 /nfs/dbraw/zinc/48/54/36/1068485436.db2.gz SSRLNVOYOCLZMF-ONTIZHBOSA-N 1 1 478.707 3.480 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303851235 1068488617 /nfs/dbraw/zinc/48/86/17/1068488617.db2.gz DFHLBJVDBVDCLC-SLFFLAALSA-N 1 1 478.663 3.477 20 0 JGADMO CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001305286875 1068488992 /nfs/dbraw/zinc/48/89/92/1068488992.db2.gz FNKUARIZIGTFBG-URXFXBBRSA-N 1 1 466.674 3.488 20 0 JGADMO CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001305287640 1068489557 /nfs/dbraw/zinc/48/95/57/1068489557.db2.gz SKROHLDPDBFIDG-FQEVSTJZSA-N 1 1 470.666 3.045 20 0 JGADMO CCC(C)(C)Cn1c(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305288145 1068490188 /nfs/dbraw/zinc/49/01/88/1068490188.db2.gz CGDSRBGAGKNUJK-SANMLTNESA-N 1 1 487.693 3.427 20 0 JGADMO CC[C@@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305287846 1068490244 /nfs/dbraw/zinc/49/02/44/1068490244.db2.gz LASYWKJAIUWFDR-UQBPGWFLSA-N 1 1 485.608 3.164 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303853687 1068493663 /nfs/dbraw/zinc/49/36/63/1068493663.db2.gz SCAAXSKBHBRIPT-WWDZGPRUSA-N 1 1 454.685 3.196 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305293496 1068497849 /nfs/dbraw/zinc/49/78/49/1068497849.db2.gz JVWDPMDWSGPYFR-JKSBSHDWSA-N 1 1 480.451 3.414 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305293496 1068497852 /nfs/dbraw/zinc/49/78/52/1068497852.db2.gz JVWDPMDWSGPYFR-JKSBSHDWSA-N 1 1 480.451 3.414 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303858989 1068499893 /nfs/dbraw/zinc/49/98/93/1068499893.db2.gz ZFVYMCRJAPYKLX-PGYGNJIDSA-N 1 1 466.696 3.340 20 0 JGADMO CC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001305299452 1068508049 /nfs/dbraw/zinc/50/80/49/1068508049.db2.gz MTBIDRKMXYORMV-NNPDTBDGSA-N 1 1 476.666 3.227 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303874887 1068509092 /nfs/dbraw/zinc/50/90/92/1068509092.db2.gz FKUAMYNCTBFOER-RTBURBONSA-N 1 1 498.763 3.265 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305301589 1068510285 /nfs/dbraw/zinc/51/02/85/1068510285.db2.gz PYBPRROHXLATBH-JTSKRJEESA-N 1 1 478.435 3.027 20 0 JGADMO CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001305301928 1068510798 /nfs/dbraw/zinc/51/07/98/1068510798.db2.gz VVYNOSSTVGRHRB-ZDQHKECQSA-N 1 1 476.666 3.227 20 0 JGADMO CC[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305308314 1068516368 /nfs/dbraw/zinc/51/63/68/1068516368.db2.gz DXAPYBFWRHJRBN-RUZDIDTESA-N 1 1 483.686 3.486 20 0 JGADMO CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305311103 1068520996 /nfs/dbraw/zinc/52/09/96/1068520996.db2.gz JJBSRGJQNFKEBQ-VWLOTQADSA-N 1 1 482.654 3.143 20 0 JGADMO CS(C)(=O)=NCC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)CC1 ZINC001303882685 1068521435 /nfs/dbraw/zinc/52/14/35/1068521435.db2.gz AZNUOCPXQOIHQP-NHCUHLMSSA-N 1 1 460.669 3.325 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001303887589 1068525385 /nfs/dbraw/zinc/52/53/85/1068525385.db2.gz KJRASQRKQOOIJL-FCGDIQPGSA-N 1 1 493.649 3.299 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001305314984 1068528519 /nfs/dbraw/zinc/52/85/19/1068528519.db2.gz QHRYVWQSZJAWHS-UZINWLIJSA-N 1 1 470.662 3.314 20 0 JGADMO CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305315698 1068529710 /nfs/dbraw/zinc/52/97/10/1068529710.db2.gz VGZJMIHWSJGASJ-LFAGZIFBSA-N 1 1 457.667 3.392 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 ZINC001303896672 1068536319 /nfs/dbraw/zinc/53/63/19/1068536319.db2.gz BCYZEXKSTLXTSW-KNQAVFIVSA-N 1 1 461.582 3.283 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001305321496 1068539740 /nfs/dbraw/zinc/53/97/40/1068539740.db2.gz GOUYAFNNDUFAAM-CUVVAGTFSA-N 1 1 466.630 3.447 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cnnn1C ZINC001303899004 1068541279 /nfs/dbraw/zinc/54/12/79/1068541279.db2.gz STQKBXJLSLNBKY-QGZVFWFLSA-N 1 1 456.570 3.045 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001305322532 1068541575 /nfs/dbraw/zinc/54/15/75/1068541575.db2.gz OWNCNUQYUIGMHV-FBRPZDKASA-N 1 1 486.661 3.023 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001303900045 1068543280 /nfs/dbraw/zinc/54/32/80/1068543280.db2.gz XTUCSUAJKZZOSO-CYFREDJKSA-N 1 1 461.582 3.283 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001303902136 1068545248 /nfs/dbraw/zinc/54/52/48/1068545248.db2.gz LZNLGFILOLIKGX-REWPJTCUSA-N 1 1 474.625 3.198 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303902520 1068545978 /nfs/dbraw/zinc/54/59/78/1068545978.db2.gz NQBNJRYYMRJUKP-GOSISDBHSA-N 1 1 458.582 3.148 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001303903993 1068548140 /nfs/dbraw/zinc/54/81/40/1068548140.db2.gz VJKOGRHGAFZGJQ-AXHZCLLHSA-N 1 1 461.582 3.282 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305326471 1068548914 /nfs/dbraw/zinc/54/89/14/1068548914.db2.gz YOIRAPHVGAROKF-BCHFMIIMSA-N 1 1 487.645 3.060 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305326471 1068548919 /nfs/dbraw/zinc/54/89/19/1068548919.db2.gz YOIRAPHVGAROKF-BCHFMIIMSA-N 1 1 487.645 3.060 20 0 JGADMO CC(C)[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1ccc(F)cc1)[NH+]1CCOCC1 ZINC001303905695 1068550803 /nfs/dbraw/zinc/55/08/03/1068550803.db2.gz USONTYLMHAUSCA-UWJYYQICSA-N 1 1 457.554 3.391 20 0 JGADMO CC(C)[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@@H](C)Oc1ccc(F)cc1)[NH+]1CCOCC1 ZINC001303905694 1068550986 /nfs/dbraw/zinc/55/09/86/1068550986.db2.gz USONTYLMHAUSCA-UTKZUKDTSA-N 1 1 457.554 3.391 20 0 JGADMO CC(C)[C@@H](Cn1c(Nc2cnn(C)c2)nnc1[C@@H](C)Oc1ccc(F)cc1)[NH+]1CCOCC1 ZINC001303905692 1068551025 /nfs/dbraw/zinc/55/10/25/1068551025.db2.gz USONTYLMHAUSCA-DYESRHJHSA-N 1 1 457.554 3.391 20 0 JGADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnccn2)n1CCC[NH+]1CCOCC1 ZINC001303907492 1068554778 /nfs/dbraw/zinc/55/47/78/1068554778.db2.gz VDRMBYWIRKZZEZ-GOSISDBHSA-N 1 1 471.993 3.220 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnccn2)n1CCC[NH+]1CCOCC1 ZINC001303907493 1068554898 /nfs/dbraw/zinc/55/48/98/1068554898.db2.gz VDRMBYWIRKZZEZ-SFHVURJKSA-N 1 1 471.993 3.220 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001305332553 1068561369 /nfs/dbraw/zinc/56/13/69/1068561369.db2.gz YZBOHICMPYNJNS-OUDXUNEISA-N 1 1 468.646 3.391 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001305332684 1068562310 /nfs/dbraw/zinc/56/23/10/1068562310.db2.gz YHENKLMEJHVWLY-AMZDPNTKSA-N 1 1 487.645 3.135 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305333960 1068563548 /nfs/dbraw/zinc/56/35/48/1068563548.db2.gz KLIAQZLFRRWVTO-VHFRWLAGSA-N 1 1 485.673 3.386 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[NH+]1CCCCC1)S(C)(=O)=O ZINC001303915120 1068565997 /nfs/dbraw/zinc/56/59/97/1068565997.db2.gz LWUSFCDIBUOWHP-GBESFXJTSA-N 1 1 481.638 3.301 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303915405 1068566714 /nfs/dbraw/zinc/56/67/14/1068566714.db2.gz PAXIOZPLOSTWDT-FSTVOOFJSA-N 1 1 466.051 3.468 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305335854 1068566971 /nfs/dbraw/zinc/56/69/71/1068566971.db2.gz MSNUXIDNNJJZNV-DVECYGJZSA-N 1 1 471.675 3.173 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305335970 1068567085 /nfs/dbraw/zinc/56/70/85/1068567085.db2.gz LJKBPBAXFVKNBA-FNZWTVRRSA-N 1 1 471.646 3.367 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305335971 1068567217 /nfs/dbraw/zinc/56/72/17/1068567217.db2.gz LJKBPBAXFVKNBA-FQRUVTKNSA-N 1 1 471.646 3.367 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1(O)CCC1 ZINC001303917846 1068570073 /nfs/dbraw/zinc/57/00/73/1068570073.db2.gz VJUWBEHLEANRSW-LJQANCHMSA-N 1 1 475.609 3.267 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001305337575 1068570350 /nfs/dbraw/zinc/57/03/50/1068570350.db2.gz WUTCYONCMMFKOG-OREGWCPLSA-N 1 1 482.673 3.298 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303921751 1068573151 /nfs/dbraw/zinc/57/31/51/1068573151.db2.gz FOMOOPDVAPPMPS-OSPHWJPCSA-N 1 1 458.582 3.133 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(N2CC[NH+](CCOC)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001305341074 1068576663 /nfs/dbraw/zinc/57/66/63/1068576663.db2.gz NXIUIELUTHJRMK-OFVILXPXSA-N 1 1 455.647 3.314 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001305341564 1068577509 /nfs/dbraw/zinc/57/75/09/1068577509.db2.gz PIGDHOLEJQXRNV-ZYLNGJIFSA-N 1 1 457.619 3.337 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001303923634 1068577660 /nfs/dbraw/zinc/57/76/60/1068577660.db2.gz HDFTXEXDVHZMBZ-MSOLQXFVSA-N 1 1 479.622 3.055 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303924719 1068579596 /nfs/dbraw/zinc/57/95/96/1068579596.db2.gz WSKPPCJTTVGBEG-OALUTQOASA-N 1 1 472.609 3.489 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001303925782 1068582637 /nfs/dbraw/zinc/58/26/37/1068582637.db2.gz FGWKXLYYVPTAJO-RBUKOAKNSA-N 1 1 493.649 3.303 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303925962 1068582687 /nfs/dbraw/zinc/58/26/87/1068582687.db2.gz GIVDCULALLFZBF-DYXWJJEUSA-N 1 1 472.609 3.489 20 0 JGADMO CC(C)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303926921 1068585864 /nfs/dbraw/zinc/58/58/64/1068585864.db2.gz QQTQSNQBLZSDBA-OAQYLSRUSA-N 1 1 488.652 3.323 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1COCCO1 ZINC001303927477 1068586322 /nfs/dbraw/zinc/58/63/22/1068586322.db2.gz WKGNOYKCVDOYPU-RBUKOAKNSA-N 1 1 461.582 3.283 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001305346825 1068586941 /nfs/dbraw/zinc/58/69/41/1068586941.db2.gz HDHUSNDEBZSIBM-UWUFEASWSA-N 1 1 457.619 3.316 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)OC ZINC001305348296 1068590203 /nfs/dbraw/zinc/59/02/03/1068590203.db2.gz AFZPCUKDLUISGE-CSGUBPAMSA-N 1 1 484.645 3.182 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001305350257 1068593614 /nfs/dbraw/zinc/59/36/14/1068593614.db2.gz HFUAIDFRXHGTAI-BZRIBIQUSA-N 1 1 481.649 3.049 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001305351009 1068594817 /nfs/dbraw/zinc/59/48/17/1068594817.db2.gz SAFAEJJLJWRPLY-ZFMISHDWSA-N 1 1 486.661 3.287 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303938536 1068597428 /nfs/dbraw/zinc/59/74/28/1068597428.db2.gz TYDNZOGSWRGUKO-MOPGFXCFSA-N 1 1 479.622 3.057 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303950609 1068612661 /nfs/dbraw/zinc/61/26/61/1068612661.db2.gz NZLQOERCJVMGEZ-HXUWFJFHSA-N 1 1 456.610 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CCS(=O)(=O)N(C)C ZINC001305372514 1068627463 /nfs/dbraw/zinc/62/74/63/1068627463.db2.gz WXTOFYHLQWKHMA-TUNNFDKTSA-N 1 1 476.691 3.172 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001305373528 1068628110 /nfs/dbraw/zinc/62/81/10/1068628110.db2.gz FWJOETOJAYTZRB-RCZSKKKRSA-N 1 1 475.659 3.261 20 0 JGADMO CC[NH+](CC)CCOc1cccc(NC(=O)c2cnc(I)c(O)c2)c1 ZINC001305388963 1068635038 /nfs/dbraw/zinc/63/50/38/1068635038.db2.gz XHOQUCOTECHYJM-UHFFFAOYSA-N 1 1 455.296 3.365 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 ZINC001305398446 1068640788 /nfs/dbraw/zinc/64/07/88/1068640788.db2.gz MANZGWQNGNQJEC-UCKMRUJXSA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 ZINC001305398446 1068640795 /nfs/dbraw/zinc/64/07/95/1068640795.db2.gz MANZGWQNGNQJEC-UCKMRUJXSA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001305399381 1068641336 /nfs/dbraw/zinc/64/13/36/1068641336.db2.gz FKGYMTYKRCVAHF-DENIHFKCSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001305399381 1068641343 /nfs/dbraw/zinc/64/13/43/1068641343.db2.gz FKGYMTYKRCVAHF-DENIHFKCSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305399817 1068641984 /nfs/dbraw/zinc/64/19/84/1068641984.db2.gz SWYLBNCFLWBHLJ-BKMJKUGQSA-N 1 1 485.746 3.487 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001305400170 1068642883 /nfs/dbraw/zinc/64/28/83/1068642883.db2.gz WHAHUYPDHFYYTN-QGZVFWFLSA-N 1 1 475.041 3.277 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001305400170 1068642889 /nfs/dbraw/zinc/64/28/89/1068642889.db2.gz WHAHUYPDHFYYTN-QGZVFWFLSA-N 1 1 475.041 3.277 20 0 JGADMO CC[C@@H](C)c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305404907 1068645074 /nfs/dbraw/zinc/64/50/74/1068645074.db2.gz CMVALJXSBMJPPF-MJGOQNOKSA-N 1 1 455.632 3.455 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001305412090 1068651322 /nfs/dbraw/zinc/65/13/22/1068651322.db2.gz NTGQRTXGMJBYMZ-RSBOXOOMSA-N 1 1 474.694 3.374 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001305412089 1068651356 /nfs/dbraw/zinc/65/13/56/1068651356.db2.gz NTGQRTXGMJBYMZ-PYSZQBSGSA-N 1 1 474.694 3.374 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001305413124 1068652022 /nfs/dbraw/zinc/65/20/22/1068652022.db2.gz SWZWJWHNKPDWBG-BPUDTRNYSA-N 1 1 482.673 3.476 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305417641 1068654458 /nfs/dbraw/zinc/65/44/58/1068654458.db2.gz ZLXQCNFYXZBEMS-SLFFLAALSA-N 1 1 464.655 3.206 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001305424785 1068660669 /nfs/dbraw/zinc/66/06/69/1068660669.db2.gz YKQMHGYLYVSRDE-RRPUWOKSSA-N 1 1 468.646 3.089 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001305424787 1068660686 /nfs/dbraw/zinc/66/06/86/1068660686.db2.gz YKQMHGYLYVSRDE-WPYKKVEZSA-N 1 1 468.646 3.089 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305426267 1068662936 /nfs/dbraw/zinc/66/29/36/1068662936.db2.gz NCTKSGREDZABQT-NJYVYQBISA-N 1 1 462.683 3.374 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305429151 1068667867 /nfs/dbraw/zinc/66/78/67/1068667867.db2.gz GISWQUMYRICZTI-VGSWGCGISA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305429151 1068667871 /nfs/dbraw/zinc/66/78/71/1068667871.db2.gz GISWQUMYRICZTI-VGSWGCGISA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305429151 1068667874 /nfs/dbraw/zinc/66/78/74/1068667874.db2.gz GISWQUMYRICZTI-VGSWGCGISA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305433091 1068669746 /nfs/dbraw/zinc/66/97/46/1068669746.db2.gz ZVBJFAMPSQTPPN-IIBYNOLFSA-N 1 1 482.555 3.014 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001305443034 1068678305 /nfs/dbraw/zinc/67/83/05/1068678305.db2.gz HUELLFUOSYTCJV-KIDAQSEQSA-N 1 1 451.681 3.028 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305448369 1068682319 /nfs/dbraw/zinc/68/23/19/1068682319.db2.gz BVBPZDSJIHUHIL-LJQANCHMSA-N 1 1 476.691 3.152 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305448368 1068682344 /nfs/dbraw/zinc/68/23/44/1068682344.db2.gz BVBPZDSJIHUHIL-IBGZPJMESA-N 1 1 476.691 3.152 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305450026 1068684820 /nfs/dbraw/zinc/68/48/20/1068684820.db2.gz PPGCXJKWZDYPDY-MOPGFXCFSA-N 1 1 464.655 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305450585 1068686086 /nfs/dbraw/zinc/68/60/86/1068686086.db2.gz RJWCFJCAFYWIDE-HBMCJLEFSA-N 1 1 478.682 3.499 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305454681 1068692689 /nfs/dbraw/zinc/69/26/89/1068692689.db2.gz JCVNDLWTPRKFHJ-GCJKJVERSA-N 1 1 486.661 3.247 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305457285 1068697936 /nfs/dbraw/zinc/69/79/36/1068697936.db2.gz GMEQNJZEHHDZSG-RXFWQSSRSA-N 1 1 472.653 3.302 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305457282 1068698097 /nfs/dbraw/zinc/69/80/97/1068698097.db2.gz GMEQNJZEHHDZSG-IBVKSMDESA-N 1 1 472.653 3.302 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305457603 1068699488 /nfs/dbraw/zinc/69/94/88/1068699488.db2.gz JLWWTWRVTOFFDZ-CTNGQTDRSA-N 1 1 477.698 3.169 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](c1ccco1)N(C)C ZINC001305459841 1068702234 /nfs/dbraw/zinc/70/22/34/1068702234.db2.gz SVQRGJJHPLVGLO-FDFHNCONSA-N 1 1 457.667 3.292 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001305460855 1068703749 /nfs/dbraw/zinc/70/37/49/1068703749.db2.gz UAYOFFYWZZVUDP-LVXARBLLSA-N 1 1 472.653 3.446 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001305464596 1068707856 /nfs/dbraw/zinc/70/78/56/1068707856.db2.gz CDEMGBUALMNRMQ-IRFCIJBXSA-N 1 1 475.659 3.261 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001305464609 1068708363 /nfs/dbraw/zinc/70/83/63/1068708363.db2.gz CNMFDOPKAMEGEG-NYVOZVTQSA-N 1 1 459.660 3.326 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305481969 1068718644 /nfs/dbraw/zinc/71/86/44/1068718644.db2.gz BAABYYJVIJWGSB-PWRODBHTSA-N 1 1 473.641 3.400 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305487699 1068725550 /nfs/dbraw/zinc/72/55/50/1068725550.db2.gz PZODKYOKHJPVNJ-ZCNNSNEGSA-N 1 1 460.598 3.220 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305488214 1068726102 /nfs/dbraw/zinc/72/61/02/1068726102.db2.gz RKOPOJIACGEQLN-FHWLQOOXSA-N 1 1 460.589 3.365 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001305488593 1068726615 /nfs/dbraw/zinc/72/66/15/1068726615.db2.gz KKKQOSIJVBJWDF-DENIHFKCSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001305488593 1068726626 /nfs/dbraw/zinc/72/66/26/1068726626.db2.gz KKKQOSIJVBJWDF-DENIHFKCSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305501135 1068735920 /nfs/dbraw/zinc/73/59/20/1068735920.db2.gz NIGWCNYVWWDPPH-ZEQRLZLVSA-N 1 1 495.716 3.479 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001305501844 1068736980 /nfs/dbraw/zinc/73/69/80/1068736980.db2.gz DWZWSTGAQKEXHC-SFHVURJKSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCc1scnc1C ZINC001305505174 1068740855 /nfs/dbraw/zinc/74/08/55/1068740855.db2.gz NMGITBIRCNHVQF-GOSISDBHSA-N 1 1 461.680 3.180 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCc1scnc1C ZINC001305505174 1068740860 /nfs/dbraw/zinc/74/08/60/1068740860.db2.gz NMGITBIRCNHVQF-GOSISDBHSA-N 1 1 461.680 3.180 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@H](C)O)cc1 ZINC001305505846 1068742032 /nfs/dbraw/zinc/74/20/32/1068742032.db2.gz PPWRWDAWCKFNLB-RTWAWAEBSA-N 1 1 468.646 3.028 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@H](C)O)cc1 ZINC001305505846 1068742042 /nfs/dbraw/zinc/74/20/42/1068742042.db2.gz PPWRWDAWCKFNLB-RTWAWAEBSA-N 1 1 468.646 3.028 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001305506297 1068742888 /nfs/dbraw/zinc/74/28/88/1068742888.db2.gz SMFZUZFZGMDAQP-QZNHQXDQSA-N 1 1 462.683 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001305506297 1068742893 /nfs/dbraw/zinc/74/28/93/1068742893.db2.gz SMFZUZFZGMDAQP-QZNHQXDQSA-N 1 1 462.683 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305508433 1068746290 /nfs/dbraw/zinc/74/62/90/1068746290.db2.gz DFNPFYSOSKXYTC-UPVQGACJSA-N 1 1 482.673 3.419 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305510049 1068749526 /nfs/dbraw/zinc/74/95/26/1068749526.db2.gz IYVVVSLHDYSVRS-OFNKIYASSA-N 1 1 486.636 3.250 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305510045 1068749567 /nfs/dbraw/zinc/74/95/67/1068749567.db2.gz IYVVVSLHDYSVRS-NFBKMPQASA-N 1 1 486.636 3.250 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305510354 1068749749 /nfs/dbraw/zinc/74/97/49/1068749749.db2.gz PCJHIQNDVKNEHM-SFHVURJKSA-N 1 1 490.599 3.143 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001305510354 1068749756 /nfs/dbraw/zinc/74/97/56/1068749756.db2.gz PCJHIQNDVKNEHM-SFHVURJKSA-N 1 1 490.599 3.143 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(Cc3noc(C)n3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305510226 1068750202 /nfs/dbraw/zinc/75/02/02/1068750202.db2.gz OOJXWIUNGVUSGL-AZUAARDMSA-N 1 1 458.655 3.316 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001305510395 1068750291 /nfs/dbraw/zinc/75/02/91/1068750291.db2.gz PPCKRNDTJSIHCI-JOCHJYFZSA-N 1 1 499.679 3.311 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305512984 1068756055 /nfs/dbraw/zinc/75/60/55/1068756055.db2.gz YQEJRUDECBJWLE-IBGZPJMESA-N 1 1 480.617 3.464 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305514104 1068759375 /nfs/dbraw/zinc/75/93/75/1068759375.db2.gz DFRNKPPBCYFXRF-AQNXPRMDSA-N 1 1 477.698 3.310 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305517259 1068765565 /nfs/dbraw/zinc/76/55/65/1068765565.db2.gz WGLLWDWSMFDGDX-XPWALMASSA-N 1 1 489.709 3.124 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(C)c(Br)c2)CC1 ZINC001305517122 1068765611 /nfs/dbraw/zinc/76/56/11/1068765611.db2.gz OVECSXBCBJEWCL-OAQYLSRUSA-N 1 1 458.400 3.263 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305519053 1068769253 /nfs/dbraw/zinc/76/92/53/1068769253.db2.gz PDEXHMATOWGQGH-BHIFYINESA-N 1 1 473.710 3.093 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305519483 1068769818 /nfs/dbraw/zinc/76/98/18/1068769818.db2.gz BFIYXNQSBSUKNH-PMACEKPBSA-N 1 1 488.681 3.292 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305525340 1068778239 /nfs/dbraw/zinc/77/82/39/1068778239.db2.gz DPXZEOLAELMXLD-QFIPXVFZSA-N 1 1 483.705 3.400 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305530216 1068785376 /nfs/dbraw/zinc/78/53/76/1068785376.db2.gz LEGLQPAGUZABPC-PCCBWWKXSA-N 1 1 460.667 3.272 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCCN(C)CC(F)(F)F ZINC001305532410 1068789483 /nfs/dbraw/zinc/78/94/83/1068789483.db2.gz BFXRFAPHKTVSOV-ZWKOTPCHSA-N 1 1 460.589 3.365 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305532732 1068790536 /nfs/dbraw/zinc/79/05/36/1068790536.db2.gz OMYPYATYELAFEF-VQTJNVASSA-N 1 1 477.723 3.032 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305535989 1068797183 /nfs/dbraw/zinc/79/71/83/1068797183.db2.gz FQIYIPSYPYWABG-IMSXRSKXSA-N 1 1 482.673 3.100 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305538514 1068804676 /nfs/dbraw/zinc/80/46/76/1068804676.db2.gz XMZOUSYOVXEYPB-QHCPKHFHSA-N 1 1 481.689 3.058 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCn1cc(Cl)cn1 ZINC001305538589 1068805112 /nfs/dbraw/zinc/80/51/12/1068805112.db2.gz MYDJPJIKSVYOCI-MRXNPFEDSA-N 1 1 460.030 3.014 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305540935 1068810998 /nfs/dbraw/zinc/81/09/98/1068810998.db2.gz XVDLVNQUEAUHPL-ROUUACIJSA-N 1 1 478.579 3.171 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccc(Br)n1 ZINC001305542647 1068815579 /nfs/dbraw/zinc/81/55/79/1068815579.db2.gz OYVFZXVFDJUHGU-WMZOPIPTSA-N 1 1 463.424 3.298 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1ccccc1C1OCCO1 ZINC001305543399 1068817932 /nfs/dbraw/zinc/81/79/32/1068817932.db2.gz JFYFQWRPGVRYHK-HXUWFJFHSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1nc(C)c(C)s1 ZINC001305544326 1068819770 /nfs/dbraw/zinc/81/97/70/1068819770.db2.gz OSSPCRJUFWNYLZ-KNQAVFIVSA-N 1 1 489.734 3.339 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305550657 1068829329 /nfs/dbraw/zinc/82/93/29/1068829329.db2.gz JMOOEEPOHKIAAR-JAXLGGSGSA-N 1 1 481.645 3.175 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305551727 1068830383 /nfs/dbraw/zinc/83/03/83/1068830383.db2.gz ACKIYIDCCHPKKP-URXFXBBRSA-N 1 1 470.662 3.406 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305552290 1068830920 /nfs/dbraw/zinc/83/09/20/1068830920.db2.gz CFTSZQJCPKDGSX-YZUZCNPQSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305568176 1068843180 /nfs/dbraw/zinc/84/31/80/1068843180.db2.gz VRFZKLLMINDWNM-SXLOBPIMSA-N 1 1 462.664 3.371 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305570090 1068844437 /nfs/dbraw/zinc/84/44/37/1068844437.db2.gz DIYUTVQEBMHOBG-MLNNCEHLSA-N 1 1 490.693 3.474 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305570191 1068844537 /nfs/dbraw/zinc/84/45/37/1068844537.db2.gz FMCXRVJVTYXBMD-HSALFYBXSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305572377 1068846132 /nfs/dbraw/zinc/84/61/32/1068846132.db2.gz SOVDYGPIOKJTGO-VNTMZGSJSA-N 1 1 492.665 3.026 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305584599 1068854523 /nfs/dbraw/zinc/85/45/23/1068854523.db2.gz IQBOKXBGZRMMDN-DENIHFKCSA-N 1 1 481.645 3.031 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305584602 1068854823 /nfs/dbraw/zinc/85/48/23/1068854823.db2.gz IQBOKXBGZRMMDN-UGKGYDQZSA-N 1 1 481.645 3.031 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305587643 1068857574 /nfs/dbraw/zinc/85/75/74/1068857574.db2.gz ULZOPWXQZFBGMG-ILWGZMRPSA-N 1 1 459.660 3.327 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305587643 1068857585 /nfs/dbraw/zinc/85/75/85/1068857585.db2.gz ULZOPWXQZFBGMG-ILWGZMRPSA-N 1 1 459.660 3.327 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305603004 1068866257 /nfs/dbraw/zinc/86/62/57/1068866257.db2.gz HTFBIGATEJAPDX-PMACEKPBSA-N 1 1 491.681 3.080 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001305603034 1068866327 /nfs/dbraw/zinc/86/63/27/1068866327.db2.gz ICRWILNKWFZKRY-ROUUACIJSA-N 1 1 460.627 3.037 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001305603232 1068866869 /nfs/dbraw/zinc/86/68/69/1068866869.db2.gz KEEJZLNARCNRRA-FQEVSTJZSA-N 1 1 479.633 3.077 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001305603298 1068866944 /nfs/dbraw/zinc/86/69/44/1068866944.db2.gz BBZZNBILAYANJW-KRWDZBQOSA-N 1 1 483.082 3.237 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001305603192 1068867372 /nfs/dbraw/zinc/86/73/72/1068867372.db2.gz IZEDDPBUHXFMQI-FQEVSTJZSA-N 1 1 456.635 3.379 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001305603164 1068867397 /nfs/dbraw/zinc/86/73/97/1068867397.db2.gz IMVRIDZHQPKEIS-JYJNAYRXSA-N 1 1 484.617 3.021 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001305604163 1068869011 /nfs/dbraw/zinc/86/90/11/1068869011.db2.gz DSPZNJZOIIPPRL-BCHFMIIMSA-N 1 1 487.645 3.467 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS(=O)(=O)CC1 ZINC001305604154 1068869076 /nfs/dbraw/zinc/86/90/76/1068869076.db2.gz CFHNCXZTRCKBCB-SJORKVTESA-N 1 1 465.689 3.097 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)Cc1cnn(C)c1 ZINC001305604087 1068869171 /nfs/dbraw/zinc/86/91/71/1068869171.db2.gz DMKQLRQMOQMOGJ-SFHVURJKSA-N 1 1 453.591 3.207 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001305604186 1068869255 /nfs/dbraw/zinc/86/92/55/1068869255.db2.gz DUVVASMBLQPJST-FQEVSTJZSA-N 1 1 499.660 3.030 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001305604191 1068869539 /nfs/dbraw/zinc/86/95/39/1068869539.db2.gz DUVVASMBLQPJST-HXUWFJFHSA-N 1 1 499.660 3.030 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccsc2)CC1 ZINC001305604557 1068869944 /nfs/dbraw/zinc/86/99/44/1068869944.db2.gz NPJIKSXHAVZEKX-SJORKVTESA-N 1 1 468.693 3.064 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCN1CCOCC1 ZINC001305604861 1068870554 /nfs/dbraw/zinc/87/05/54/1068870554.db2.gz DSYOFIHLLLYNKO-QGZVFWFLSA-N 1 1 453.006 3.236 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001305604873 1068870742 /nfs/dbraw/zinc/87/07/42/1068870742.db2.gz CDPSFDYQRRPIBQ-WTGUMLROSA-N 1 1 472.609 3.250 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001305605806 1068872011 /nfs/dbraw/zinc/87/20/11/1068872011.db2.gz QZNHJAGWEKFFDZ-OAQYLSRUSA-N 1 1 461.699 3.045 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001305606164 1068872857 /nfs/dbraw/zinc/87/28/57/1068872857.db2.gz LFYFBDSVLSQRGJ-IAGOWNOFSA-N 1 1 498.491 3.451 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001305606952 1068875273 /nfs/dbraw/zinc/87/52/73/1068875273.db2.gz OFXFPIKOIZWJEG-TZIWHRDSSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001305607136 1068875322 /nfs/dbraw/zinc/87/53/22/1068875322.db2.gz WINFRTIUWSHJSN-IFMALSPDSA-N 1 1 481.645 3.079 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001305607470 1068875970 /nfs/dbraw/zinc/87/59/70/1068875970.db2.gz PUHDGGAFIHWVOV-HZPDHXFCSA-N 1 1 465.440 3.256 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001305607801 1068876659 /nfs/dbraw/zinc/87/66/59/1068876659.db2.gz ZGYCZJAKDJNLQL-CPJSRVTESA-N 1 1 454.619 3.494 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001305607927 1068877265 /nfs/dbraw/zinc/87/72/65/1068877265.db2.gz NDMGUEKBMKOHFE-KSZLIROESA-N 1 1 463.026 3.469 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 ZINC001305608505 1068879421 /nfs/dbraw/zinc/87/94/21/1068879421.db2.gz QZMHRNFUQIMURE-SFHVURJKSA-N 1 1 455.010 3.445 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@H]1CC ZINC001305608700 1068879436 /nfs/dbraw/zinc/87/94/36/1068879436.db2.gz QFCIMWKHGYVMEE-CEWLAPEOSA-N 1 1 456.635 3.480 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 ZINC001305608504 1068879557 /nfs/dbraw/zinc/87/95/57/1068879557.db2.gz QZMHRNFUQIMURE-GOSISDBHSA-N 1 1 455.010 3.445 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001305608738 1068879633 /nfs/dbraw/zinc/87/96/33/1068879633.db2.gz ADXDSKJRQYVGBD-WIYYLYMNSA-N 1 1 453.639 3.139 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C)CC1 ZINC001305608816 1068880181 /nfs/dbraw/zinc/88/01/81/1068880181.db2.gz AXUHEJXLHCRRPH-IBGZPJMESA-N 1 1 464.618 3.109 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001305609430 1068881274 /nfs/dbraw/zinc/88/12/74/1068881274.db2.gz DFCCBKLFDQYHSR-HXUWFJFHSA-N 1 1 463.634 3.310 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305609482 1068882152 /nfs/dbraw/zinc/88/21/52/1068882152.db2.gz UQUGCAMEXSLCJH-RDJZCZTQSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001305609515 1068882641 /nfs/dbraw/zinc/88/26/41/1068882641.db2.gz VGEVGMOLARCWKT-FUPPJEDESA-N 1 1 499.704 3.394 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001305609672 1068882674 /nfs/dbraw/zinc/88/26/74/1068882674.db2.gz WYFKFCIINZUBQK-SFHVURJKSA-N 1 1 477.057 3.308 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001305609955 1068883079 /nfs/dbraw/zinc/88/30/79/1068883079.db2.gz FSVQUYWLKFVYRO-IBGZPJMESA-N 1 1 467.593 3.115 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)C ZINC001305609809 1068883231 /nfs/dbraw/zinc/88/32/31/1068883231.db2.gz UVERAOOOKWZZNB-MRXNPFEDSA-N 1 1 465.440 3.399 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001305609968 1068883317 /nfs/dbraw/zinc/88/33/17/1068883317.db2.gz XGPKAIDPCQCGDE-RXVVDRJESA-N 1 1 475.037 3.156 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001305609958 1068883415 /nfs/dbraw/zinc/88/34/15/1068883415.db2.gz FSVQUYWLKFVYRO-LJQANCHMSA-N 1 1 467.593 3.115 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 ZINC001305610072 1068883942 /nfs/dbraw/zinc/88/39/42/1068883942.db2.gz VUBXXRLOZPTGQZ-MSOLQXFVSA-N 1 1 462.570 3.176 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001305610608 1068884693 /nfs/dbraw/zinc/88/46/93/1068884693.db2.gz WQABDHUWJKITRI-IAGOWNOFSA-N 1 1 494.482 3.459 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001305610610 1068884857 /nfs/dbraw/zinc/88/48/57/1068884857.db2.gz WQABDHUWJKITRI-SJORKVTESA-N 1 1 494.482 3.459 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001305611374 1068886243 /nfs/dbraw/zinc/88/62/43/1068886243.db2.gz ZOLRSWSTSGQHLC-XLIONFOSSA-N 1 1 497.669 3.059 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001305611874 1068886826 /nfs/dbraw/zinc/88/68/26/1068886826.db2.gz OCKPSFVTLJUXKF-SESVDKBCSA-N 1 1 469.634 3.374 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cscn1 ZINC001305612550 1068887447 /nfs/dbraw/zinc/88/74/47/1068887447.db2.gz BQZYXDYZAZYFAS-GOSISDBHSA-N 1 1 469.663 3.275 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001305612193 1068887707 /nfs/dbraw/zinc/88/77/07/1068887707.db2.gz PAVAEVPADRLTKO-HXUWFJFHSA-N 1 1 451.619 3.334 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001305613121 1068888554 /nfs/dbraw/zinc/88/85/54/1068888554.db2.gz DOOZDJOQZOFDOT-IPMKNSEASA-N 1 1 461.611 3.334 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001305613896 1068889917 /nfs/dbraw/zinc/88/99/17/1068889917.db2.gz XYPOZOSFEHPMHD-FQEVSTJZSA-N 1 1 453.635 3.442 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001305613743 1068889933 /nfs/dbraw/zinc/88/99/33/1068889933.db2.gz XANMSVUVPSGRMT-HXUWFJFHSA-N 1 1 457.623 3.375 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001305614072 1068890463 /nfs/dbraw/zinc/89/04/63/1068890463.db2.gz JBCUUXDIUUXJIX-SFTDATJTSA-N 1 1 470.666 3.045 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CO)CC1 ZINC001305614103 1068890480 /nfs/dbraw/zinc/89/04/80/1068890480.db2.gz JMSLDVUEYVRLSD-LJQANCHMSA-N 1 1 478.682 3.332 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001305614415 1068891096 /nfs/dbraw/zinc/89/10/96/1068891096.db2.gz KPVPEFAUHQNKKA-IOMROCGXSA-N 1 1 470.618 3.318 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(CC)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305615000 1068892039 /nfs/dbraw/zinc/89/20/39/1068892039.db2.gz RDUGPNMFDDPDPX-OAHLLOKOSA-N 1 1 469.619 3.146 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001305615332 1068892488 /nfs/dbraw/zinc/89/24/88/1068892488.db2.gz PMRASGHQWMCQEK-GGAORHGYSA-N 1 1 468.646 3.173 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001305615331 1068892560 /nfs/dbraw/zinc/89/25/60/1068892560.db2.gz PMRASGHQWMCQEK-FYYLOGMGSA-N 1 1 468.646 3.173 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305615072 1068892678 /nfs/dbraw/zinc/89/26/78/1068892678.db2.gz SDYAMFLHPAWTNA-SLYNCCJLSA-N 1 1 484.649 3.205 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305615162 1068892797 /nfs/dbraw/zinc/89/27/97/1068892797.db2.gz OYQRDIVEMOCXFB-CVEARBPZSA-N 1 1 459.620 3.249 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001305615937 1068894570 /nfs/dbraw/zinc/89/45/70/1068894570.db2.gz RXIFWWPBNYEHKF-DOTOQJQBSA-N 1 1 482.555 3.016 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1 ZINC001305615972 1068895037 /nfs/dbraw/zinc/89/50/37/1068895037.db2.gz SGXPXMHNPNFSBM-TZIWHRDSSA-N 1 1 488.681 3.493 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001305616624 1068895843 /nfs/dbraw/zinc/89/58/43/1068895843.db2.gz HNBAIROLUVVDLQ-ZCNNSNEGSA-N 1 1 494.681 3.321 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001305616760 1068896490 /nfs/dbraw/zinc/89/64/90/1068896490.db2.gz DUOIJFKWBKECBV-LJQANCHMSA-N 1 1 481.670 3.455 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001305616916 1068897382 /nfs/dbraw/zinc/89/73/82/1068897382.db2.gz YDLHVTTZOOWDIR-SFTDATJTSA-N 1 1 486.636 3.394 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001305617091 1068897910 /nfs/dbraw/zinc/89/79/10/1068897910.db2.gz JXVRVJUFXNACFI-NFBKMPQASA-N 1 1 486.661 3.068 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001305617439 1068898013 /nfs/dbraw/zinc/89/80/13/1068898013.db2.gz HNOGDVOHMKVCGO-IRLDBZIGSA-N 1 1 458.626 3.039 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001305617435 1068898245 /nfs/dbraw/zinc/89/82/45/1068898245.db2.gz HNMVIBQDGJVWQV-OFNKIYASSA-N 1 1 451.619 3.219 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001305617546 1068898850 /nfs/dbraw/zinc/89/88/50/1068898850.db2.gz HQYGJCOASLCCFU-OAQYLSRUSA-N 1 1 467.662 3.223 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001305617588 1068898970 /nfs/dbraw/zinc/89/89/70/1068898970.db2.gz LYVYHCWBGNWVSH-FPOVZHCZSA-N 1 1 460.667 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001305617870 1068900364 /nfs/dbraw/zinc/90/03/64/1068900364.db2.gz AUXPBRNBUUHJJV-OALUTQOASA-N 1 1 455.582 3.454 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001305617822 1068900607 /nfs/dbraw/zinc/90/06/07/1068900607.db2.gz JNGBSCPPKOTBRN-NRFANRHFSA-N 1 1 485.652 3.466 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1C ZINC001305618401 1068901299 /nfs/dbraw/zinc/90/12/99/1068901299.db2.gz DDKQRGYQCUOYGQ-QFUCXCTJSA-N 1 1 488.681 3.457 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001305618798 1068901845 /nfs/dbraw/zinc/90/18/45/1068901845.db2.gz DUPTTXLMPIFVRS-ZCNNSNEGSA-N 1 1 492.665 3.470 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001305619258 1068902547 /nfs/dbraw/zinc/90/25/47/1068902547.db2.gz FZZCVEMVUXBBIX-GQEXVFEUSA-N 1 1 463.667 3.311 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305619284 1068903338 /nfs/dbraw/zinc/90/33/38/1068903338.db2.gz GLBUWTKUOZQPGI-WOVHNISZSA-N 1 1 492.709 3.180 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305619283 1068903537 /nfs/dbraw/zinc/90/35/37/1068903537.db2.gz GLBUWTKUOZQPGI-UZINWLIJSA-N 1 1 492.709 3.180 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1 ZINC001305620002 1068904303 /nfs/dbraw/zinc/90/43/03/1068904303.db2.gz UUAQYBWCSDDJJT-ACRUOGEOSA-N 1 1 494.681 3.180 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305620145 1068904699 /nfs/dbraw/zinc/90/46/99/1068904699.db2.gz QHUUZSDUUHKZJN-PMACEKPBSA-N 1 1 496.660 3.350 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001305620397 1068905522 /nfs/dbraw/zinc/90/55/22/1068905522.db2.gz VKRYMNHARCCJNM-KRWDZBQOSA-N 1 1 474.600 3.372 20 0 JGADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001305621631 1068908521 /nfs/dbraw/zinc/90/85/21/1068908521.db2.gz CJFCPWGXNHVBHQ-HXUWFJFHSA-N 1 1 476.629 3.232 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001305622068 1068909644 /nfs/dbraw/zinc/90/96/44/1068909644.db2.gz YHRFCPHACOVCEU-JENIJYKNSA-N 1 1 479.551 3.403 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC001305622226 1068910339 /nfs/dbraw/zinc/91/03/39/1068910339.db2.gz ZBKMNMANPXFZGD-DYESRHJHSA-N 1 1 472.663 3.158 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001305622495 1068911195 /nfs/dbraw/zinc/91/11/95/1068911195.db2.gz RNWXMWAFEAISKZ-ICSRJNTNSA-N 1 1 472.663 3.213 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001305622814 1068912019 /nfs/dbraw/zinc/91/20/19/1068912019.db2.gz UBBZPXNHJWXYLH-IAGOWNOFSA-N 1 1 494.434 3.349 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001305622988 1068912396 /nfs/dbraw/zinc/91/23/96/1068912396.db2.gz VNPLURGGVIWJAP-ONTIZHBOSA-N 1 1 454.619 3.097 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001305623193 1068913708 /nfs/dbraw/zinc/91/37/08/1068913708.db2.gz SNMSMMHXHLLIFG-VXSCBNMQSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001305624197 1068917279 /nfs/dbraw/zinc/91/72/79/1068917279.db2.gz PJCXQQQQSZIQHP-MSYCTHLASA-N 1 1 492.615 3.337 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001305629262 1068931276 /nfs/dbraw/zinc/93/12/76/1068931276.db2.gz MOXKAMWHXFAOBV-WMZOPIPTSA-N 1 1 492.466 3.025 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305629807 1068933443 /nfs/dbraw/zinc/93/34/43/1068933443.db2.gz CYWCZWQYVWQAAP-SFHVURJKSA-N 1 1 496.635 3.062 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001305635353 1068945306 /nfs/dbraw/zinc/94/53/06/1068945306.db2.gz QIGFWYXUGWILOP-RBBKRZOGSA-N 1 1 461.614 3.356 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305640766 1068956858 /nfs/dbraw/zinc/95/68/58/1068956858.db2.gz QXGJUFNPTZJYSX-LEWJYISDSA-N 1 1 482.673 3.493 20 0 JGADMO CC[C@@H](c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001305656853 1068995506 /nfs/dbraw/zinc/99/55/06/1068995506.db2.gz GLSZYJFLBHFEFQ-PZJWPPBQSA-N 1 1 470.643 3.150 20 0 JGADMO CC[C@@H](c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001305658411 1068997507 /nfs/dbraw/zinc/99/75/07/1068997507.db2.gz YVFREPQWJNPTNN-FGZHOGPDSA-N 1 1 459.660 3.319 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCN1CCOCC1)c1ccccc1 ZINC001305658699 1068998463 /nfs/dbraw/zinc/99/84/63/1068998463.db2.gz FXDKRHUWLZDPNE-AOHZBQACSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305659491 1068999644 /nfs/dbraw/zinc/99/96/44/1068999644.db2.gz IXAGUCHFDHFGMF-CBJLPSGESA-N 1 1 482.673 3.376 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCCCn1cc[nH+]c1C)c1ccccc1 ZINC001305663323 1069004309 /nfs/dbraw/zinc/00/43/09/1069004309.db2.gz AFGCTDLHWOOLNW-VXKWHMMOSA-N 1 1 470.643 3.429 20 0 JGADMO CC[C@@H](c1nnc(N2CCC(CO)CC2)n1CCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001305666283 1069008835 /nfs/dbraw/zinc/00/88/35/1069008835.db2.gz YKZVJSTZYMERMV-XMMPIXPASA-N 1 1 454.663 3.056 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305666765 1069009796 /nfs/dbraw/zinc/00/97/96/1069009796.db2.gz UXKLVZMXTFZHNW-GJZUVCINSA-N 1 1 468.646 3.036 20 0 JGADMO CC[C@@H](c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001305667883 1069011250 /nfs/dbraw/zinc/01/12/50/1069011250.db2.gz SVFMXIHBYRMKKY-NFBKMPQASA-N 1 1 488.702 3.022 20 0 JGADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001305670528 1069016830 /nfs/dbraw/zinc/01/68/30/1069016830.db2.gz KTZNGFWJTHQZKY-RCZVLFRGSA-N 1 1 482.673 3.380 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)O)c1ccccc1 ZINC001305671635 1069018920 /nfs/dbraw/zinc/01/89/20/1069018920.db2.gz PTPGFNCCSLUIMH-QFIPXVFZSA-N 1 1 451.619 3.037 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001305671690 1069019379 /nfs/dbraw/zinc/01/93/79/1069019379.db2.gz QQYWXJBHHUMINR-NHOCJEJCSA-N 1 1 483.686 3.034 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001305671690 1069019394 /nfs/dbraw/zinc/01/93/94/1069019394.db2.gz QQYWXJBHHUMINR-NHOCJEJCSA-N 1 1 483.686 3.034 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001305672140 1069020132 /nfs/dbraw/zinc/02/01/32/1069020132.db2.gz KKZSWNTWSKMYTA-DEOSSOPVSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305672140 1069020144 /nfs/dbraw/zinc/02/01/44/1069020144.db2.gz KKZSWNTWSKMYTA-DEOSSOPVSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305672140 1069020160 /nfs/dbraw/zinc/02/01/60/1069020160.db2.gz KKZSWNTWSKMYTA-DEOSSOPVSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001305673235 1069023364 /nfs/dbraw/zinc/02/33/64/1069023364.db2.gz YGAAQZXXWQZQGE-UNMCSNQZSA-N 1 1 459.660 3.175 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001305674463 1069025989 /nfs/dbraw/zinc/02/59/89/1069025989.db2.gz WQIGLBYRCCCUCE-WMTXJRDZSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1cnn(C)c1C)c1ccccc1 ZINC001305675990 1069029089 /nfs/dbraw/zinc/02/90/89/1069029089.db2.gz FSBADMPTDKLCJG-CVDCTZTESA-N 1 1 451.619 3.067 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305676492 1069030693 /nfs/dbraw/zinc/03/06/93/1069030693.db2.gz SWRNULKDTYQISR-URXFXBBRSA-N 1 1 482.673 3.424 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305679308 1069036475 /nfs/dbraw/zinc/03/64/75/1069036475.db2.gz HTDUHMPSQPNZRH-FCHUYYIVSA-N 1 1 484.645 3.256 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305679308 1069036478 /nfs/dbraw/zinc/03/64/78/1069036478.db2.gz HTDUHMPSQPNZRH-FCHUYYIVSA-N 1 1 484.645 3.256 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001305679623 1069037473 /nfs/dbraw/zinc/03/74/73/1069037473.db2.gz YQPYASRPIBAMNT-ISKFKSNPSA-N 1 1 484.689 3.088 20 0 JGADMO CC[C@@H](c1nnc(N2CCO[C@@H](COC)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001305683542 1069043198 /nfs/dbraw/zinc/04/31/98/1069043198.db2.gz QAIHYXDGQBKQPD-GMKZXUHWSA-N 1 1 471.646 3.173 20 0 JGADMO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)OC ZINC001305689047 1069053486 /nfs/dbraw/zinc/05/34/86/1069053486.db2.gz YDCGYBXWJCFNEX-KRWDZBQOSA-N 1 1 497.482 3.408 20 0 JGADMO CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)SC ZINC001305697335 1069073447 /nfs/dbraw/zinc/07/34/47/1069073447.db2.gz YWHUNUDNIBYTFU-FQEVSTJZSA-N 1 1 459.660 3.320 20 0 JGADMO CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)SC ZINC001305697335 1069073450 /nfs/dbraw/zinc/07/34/50/1069073450.db2.gz YWHUNUDNIBYTFU-FQEVSTJZSA-N 1 1 459.660 3.320 20 0 JGADMO CCC(CC)(Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)SC ZINC001305697750 1069074312 /nfs/dbraw/zinc/07/43/12/1069074312.db2.gz ZSEMBUISGUQJBJ-CTNGQTDRSA-N 1 1 464.724 3.387 20 0 JGADMO CCC(CC)(Cn1c(CC(C)C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)SC ZINC001305697751 1069075056 /nfs/dbraw/zinc/07/50/56/1069075056.db2.gz ZSEMBUISGUQJBJ-FPOVZHCZSA-N 1 1 464.724 3.387 20 0 JGADMO CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001305702464 1069084647 /nfs/dbraw/zinc/08/46/47/1069084647.db2.gz MOYAGOVITAGBJZ-FOVJLYNBSA-N 1 1 474.694 3.376 20 0 JGADMO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001305704566 1069091467 /nfs/dbraw/zinc/09/14/67/1069091467.db2.gz FHLDQDPNZYFBSF-QPPBQGQZSA-N 1 1 471.694 3.199 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001305705878 1069094851 /nfs/dbraw/zinc/09/48/51/1069094851.db2.gz LQLLLVWNKUATNM-PMACEKPBSA-N 1 1 487.674 3.004 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](SC)C1)[NH+]1CCOCC1 ZINC001305708478 1069100543 /nfs/dbraw/zinc/10/05/43/1069100543.db2.gz WYZHFTMDKOIZQD-LEWJYISDSA-N 1 1 480.723 3.275 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)N1CCOCC1 ZINC001305715626 1069121072 /nfs/dbraw/zinc/12/10/72/1069121072.db2.gz NGGKDAQJIZIHKH-ACIOBRDBSA-N 1 1 462.683 3.187 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)N1CCOCC1 ZINC001305715626 1069121079 /nfs/dbraw/zinc/12/10/79/1069121079.db2.gz NGGKDAQJIZIHKH-ACIOBRDBSA-N 1 1 462.683 3.187 20 0 JGADMO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CC(C)C)CC1)N1CCOCC1 ZINC001305717112 1069124306 /nfs/dbraw/zinc/12/43/06/1069124306.db2.gz XMVNXCKATIASMM-XZOQPEGZSA-N 1 1 462.683 3.045 20 0 JGADMO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CC(C)C)CC1)N1CCOCC1 ZINC001305717109 1069124322 /nfs/dbraw/zinc/12/43/22/1069124322.db2.gz XMVNXCKATIASMM-DHIUTWEWSA-N 1 1 462.683 3.045 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305720198 1069128517 /nfs/dbraw/zinc/12/85/17/1069128517.db2.gz KVNGDHKKAFVWAE-LPOYBJAFSA-N 1 1 460.667 3.319 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001305720585 1069128978 /nfs/dbraw/zinc/12/89/78/1069128978.db2.gz BPQZNKYPOFCPFW-WOJBJXKFSA-N 1 1 458.607 3.242 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305722367 1069133868 /nfs/dbraw/zinc/13/38/68/1069133868.db2.gz KSUGHQCDBLVPCE-QFIPXVFZSA-N 1 1 470.662 3.294 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CCn1cc[nH+]c1C ZINC001305723190 1069135725 /nfs/dbraw/zinc/13/57/25/1069135725.db2.gz KAWKVLQZESFZLS-UHFFFAOYSA-N 1 1 463.508 3.455 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305724203 1069138738 /nfs/dbraw/zinc/13/87/38/1069138738.db2.gz IYRCERVEVVIFEC-GOSISDBHSA-N 1 1 494.644 3.214 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cscn2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305724874 1069139892 /nfs/dbraw/zinc/13/98/92/1069139892.db2.gz NFGFXKCFLOJIIF-UHFFFAOYSA-N 1 1 479.614 3.227 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305728220 1069148431 /nfs/dbraw/zinc/14/84/31/1069148431.db2.gz JDKSTGHEJOWJBY-WOJBJXKFSA-N 1 1 468.646 3.116 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305728535 1069148792 /nfs/dbraw/zinc/14/87/92/1069148792.db2.gz QRQRLSYRDJFJAV-ZJOUEHCJSA-N 1 1 478.682 3.090 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cc(F)ccc1F ZINC001305731959 1069151914 /nfs/dbraw/zinc/15/19/14/1069151914.db2.gz RRZIJVOHUAQGRO-CALCHBBNSA-N 1 1 478.588 3.068 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cc(F)ccc1F ZINC001305731959 1069151924 /nfs/dbraw/zinc/15/19/24/1069151924.db2.gz RRZIJVOHUAQGRO-CALCHBBNSA-N 1 1 478.588 3.068 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCc2cccnc21 ZINC001305733112 1069152421 /nfs/dbraw/zinc/15/24/21/1069152421.db2.gz XHQFEOMFPDYLJR-NRFANRHFSA-N 1 1 497.688 3.259 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCc2cccnc21 ZINC001305733112 1069152427 /nfs/dbraw/zinc/15/24/27/1069152427.db2.gz XHQFEOMFPDYLJR-NRFANRHFSA-N 1 1 497.688 3.259 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305735229 1069155228 /nfs/dbraw/zinc/15/52/28/1069155228.db2.gz DTYLIMZYOUWJII-HHHXNRCGSA-N 1 1 498.672 3.103 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCCc1ccccc1F ZINC001305735727 1069156515 /nfs/dbraw/zinc/15/65/15/1069156515.db2.gz KJZJZEZHXNNRJG-XXBNENTESA-N 1 1 486.636 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305736050 1069157862 /nfs/dbraw/zinc/15/78/62/1069157862.db2.gz MOARKQQNWCLWJM-RXFWQSSRSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737258 1069160458 /nfs/dbraw/zinc/16/04/58/1069160458.db2.gz GZWKUEAXVYDYPM-RTBURBONSA-N 1 1 467.662 3.438 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738102 1069163017 /nfs/dbraw/zinc/16/30/17/1069163017.db2.gz LCUCGOKOTLYKNV-ROUUACIJSA-N 1 1 466.634 3.234 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738890 1069165080 /nfs/dbraw/zinc/16/50/80/1069165080.db2.gz MZTXHEPBARCRHH-QZTJIDSGSA-N 1 1 496.660 3.059 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CC(C)(C)c1ccccn1 ZINC001305739104 1069166257 /nfs/dbraw/zinc/16/62/57/1069166257.db2.gz JEMMSYUBTMLYNI-UYAOXDASSA-N 1 1 453.635 3.242 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H](C)Oc1ccccc1OC ZINC001305739836 1069168787 /nfs/dbraw/zinc/16/87/87/1069168787.db2.gz LRRRREHKSIWPGN-DYXWJJEUSA-N 1 1 484.645 3.346 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@H](OC)c1ccccc1 ZINC001305740530 1069170962 /nfs/dbraw/zinc/17/09/62/1069170962.db2.gz OZQJJRJSOQIOBP-BVYCBKJFSA-N 1 1 454.619 3.257 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305743146 1069178691 /nfs/dbraw/zinc/17/86/91/1069178691.db2.gz QVYYZDJZHMVVJR-HBMCJLEFSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305743148 1069179409 /nfs/dbraw/zinc/17/94/09/1069179409.db2.gz QVYYZDJZHMVVJR-NJYVYQBISA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743733 1069180601 /nfs/dbraw/zinc/18/06/01/1069180601.db2.gz YEHUYIOBFLYMDM-OALUTQOASA-N 1 1 498.676 3.257 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1F ZINC001305744646 1069183204 /nfs/dbraw/zinc/18/32/04/1069183204.db2.gz XBYVEEBUQJAKFV-VGSWGCGISA-N 1 1 490.599 3.070 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC[NH+]1CCSCC1 ZINC001305745400 1069186117 /nfs/dbraw/zinc/18/61/17/1069186117.db2.gz SMPQKDVPKULVJS-XLIONFOSSA-N 1 1 492.715 3.273 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC(C)(C)O ZINC001305748338 1069192887 /nfs/dbraw/zinc/19/28/87/1069192887.db2.gz GQLGTYUKVFMHQB-LJQANCHMSA-N 1 1 456.635 3.068 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305754413 1069204629 /nfs/dbraw/zinc/20/46/29/1069204629.db2.gz DJIOAXHFZFMRKS-PXNSSMCTSA-N 1 1 491.681 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305755182 1069206428 /nfs/dbraw/zinc/20/64/28/1069206428.db2.gz YFQHWVXXNXECRE-KRWDZBQOSA-N 1 1 488.599 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cccc(O)c1 ZINC001305755980 1069208970 /nfs/dbraw/zinc/20/89/70/1069208970.db2.gz QFEFXNUBAFPINH-BGYRXZFFSA-N 1 1 498.672 3.276 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1Cc1nnc(C)s1 ZINC001305756486 1069210498 /nfs/dbraw/zinc/21/04/98/1069210498.db2.gz XIDFMMZBCVGDCQ-HXUWFJFHSA-N 1 1 482.658 3.115 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001305757029 1069212966 /nfs/dbraw/zinc/21/29/66/1069212966.db2.gz PZGGSLZPLNGKMF-MEMLXQNLSA-N 1 1 491.700 3.330 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(OC3CCCC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001305757508 1069214327 /nfs/dbraw/zinc/21/43/27/1069214327.db2.gz BZEASTTVGZFJKK-UHFFFAOYSA-N 1 1 458.651 3.386 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305761503 1069228475 /nfs/dbraw/zinc/22/84/75/1069228475.db2.gz KVSPIKCCOUPXSO-MOPGFXCFSA-N 1 1 486.636 3.428 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3[C@@H]2C)n1CC[NH+]1CCSCC1 ZINC001305761897 1069228869 /nfs/dbraw/zinc/22/88/69/1069228869.db2.gz CNYWTKVUGWWTMH-SFHVURJKSA-N 1 1 456.660 3.369 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CC[N@@H+](CC)C1CC1 ZINC001305765214 1069235829 /nfs/dbraw/zinc/23/58/29/1069235829.db2.gz SKSPNQCMFGDBBU-UHFFFAOYSA-N 1 1 453.429 3.170 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305767859 1069239629 /nfs/dbraw/zinc/23/96/29/1069239629.db2.gz JAYUSTFCXLIOLF-UYAOXDASSA-N 1 1 486.665 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1noc2c1CCCC2 ZINC001305774812 1069256164 /nfs/dbraw/zinc/25/61/64/1069256164.db2.gz YPZGURQCLXOSTB-UHFFFAOYSA-N 1 1 471.650 3.422 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1Cc1ccc(F)cn1 ZINC001305776664 1069260948 /nfs/dbraw/zinc/26/09/48/1069260948.db2.gz PQSBUVMNXICWDP-UHFFFAOYSA-N 1 1 479.604 3.491 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001305777170 1069261728 /nfs/dbraw/zinc/26/17/28/1069261728.db2.gz UUCBAJGMZIDCQF-QHCPKHFHSA-N 1 1 466.630 3.254 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001305777203 1069262170 /nfs/dbraw/zinc/26/21/70/1069262170.db2.gz WAQXOADGGPCVKX-HHHXNRCGSA-N 1 1 494.640 3.410 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3)CC2)n1CCn1cc[nH+]c1C ZINC001305777378 1069262588 /nfs/dbraw/zinc/26/25/88/1069262588.db2.gz YCSRSEKEJJPXEQ-UHFFFAOYSA-N 1 1 464.618 3.118 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1Cc2ccccc2O1 ZINC001305777387 1069262679 /nfs/dbraw/zinc/26/26/79/1069262679.db2.gz YJQPPNDMJIGWIT-NRFANRHFSA-N 1 1 454.619 3.121 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305777531 1069263067 /nfs/dbraw/zinc/26/30/67/1069263067.db2.gz KQPCAQYPBIXVCQ-VWPQPMDRSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001305777671 1069263624 /nfs/dbraw/zinc/26/36/24/1069263624.db2.gz OGQKQCPRIMANAX-QHCPKHFHSA-N 1 1 466.630 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305778280 1069265751 /nfs/dbraw/zinc/26/57/51/1069265751.db2.gz ANKLXJGBUJQXGR-QHCPKHFHSA-N 1 1 499.704 3.429 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cc(C)cc(OC)c1 ZINC001305781613 1069273152 /nfs/dbraw/zinc/27/31/52/1069273152.db2.gz TXPFAELUGQDLRI-OAQYLSRUSA-N 1 1 498.672 3.110 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC1(COC)CCC1 ZINC001305785017 1069283398 /nfs/dbraw/zinc/28/33/98/1069283398.db2.gz DZIOKGSZEDGNOT-LJQANCHMSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCN(C)CC(F)(F)F ZINC001305785100 1069283815 /nfs/dbraw/zinc/28/38/15/1069283815.db2.gz HOWSDQNKUUCEKD-KRWDZBQOSA-N 1 1 487.615 3.001 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCN(C)CC(F)(F)F ZINC001305785101 1069283940 /nfs/dbraw/zinc/28/39/40/1069283940.db2.gz HOWSDQNKUUCEKD-QGZVFWFLSA-N 1 1 487.615 3.001 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCNC(=O)OC(C)(C)C ZINC001305785636 1069286312 /nfs/dbraw/zinc/28/63/12/1069286312.db2.gz NTQJTCFSGOYTSU-SFHVURJKSA-N 1 1 491.681 3.032 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001305785740 1069287159 /nfs/dbraw/zinc/28/71/59/1069287159.db2.gz KIHFTBNKEWHDFY-GOSISDBHSA-N 1 1 491.681 3.126 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1c(C)oc2ccccc21 ZINC001305786198 1069289524 /nfs/dbraw/zinc/28/95/24/1069289524.db2.gz CGFQCIMKSJYXMN-SFHVURJKSA-N 1 1 482.629 3.456 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305786419 1069290137 /nfs/dbraw/zinc/29/01/37/1069290137.db2.gz TWNOQJXTJRCWJD-OAHLLOKOSA-N 1 1 467.540 3.189 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCCn1cnc2ccccc21 ZINC001305786744 1069291187 /nfs/dbraw/zinc/29/11/87/1069291187.db2.gz YAZWAPUFTCTQAJ-IBGZPJMESA-N 1 1 466.634 3.167 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCCn1cnc2ccccc21 ZINC001305786745 1069291264 /nfs/dbraw/zinc/29/12/64/1069291264.db2.gz YAZWAPUFTCTQAJ-LJQANCHMSA-N 1 1 466.634 3.167 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccsc1 ZINC001305786629 1069291353 /nfs/dbraw/zinc/29/13/53/1069291353.db2.gz WFESYEFVBPSHKT-GOSISDBHSA-N 1 1 474.675 3.190 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1c(C)nn(C)c1C ZINC001305787112 1069293000 /nfs/dbraw/zinc/29/30/00/1069293000.db2.gz GBIMXZGJVIMHGE-LJQANCHMSA-N 1 1 492.672 3.306 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1cccc(Cl)c1C ZINC001305787423 1069293610 /nfs/dbraw/zinc/29/36/10/1069293610.db2.gz PIECFGPSKTVKHR-KRWDZBQOSA-N 1 1 477.053 3.364 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1C[C@H]1C[C@H]1C ZINC001305787937 1069295751 /nfs/dbraw/zinc/29/57/51/1069295751.db2.gz QILNSMLAWRJGOC-UYAOXDASSA-N 1 1 454.619 3.183 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1ccc(F)cc1C ZINC001305788642 1069297381 /nfs/dbraw/zinc/29/73/81/1069297381.db2.gz XVYIDUTUHACTBD-HSZRJFAPSA-N 1 1 486.636 3.188 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001305788597 1069297645 /nfs/dbraw/zinc/29/76/45/1069297645.db2.gz YGRVCZGPVXLQNV-IFMALSPDSA-N 1 1 490.693 3.235 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001305788885 1069298260 /nfs/dbraw/zinc/29/82/60/1069298260.db2.gz MJPJRWPZHRYPMG-PXDATVDWSA-N 1 1 460.667 3.202 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305789951 1069300978 /nfs/dbraw/zinc/30/09/78/1069300978.db2.gz GORCAJPNEBWDER-IAGOWNOFSA-N 1 1 474.572 3.084 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1c(F)cc(F)c(F)c1F ZINC001305790726 1069302485 /nfs/dbraw/zinc/30/24/85/1069302485.db2.gz WVGJLSRBPTZHKY-HNNXBMFYSA-N 1 1 482.526 3.476 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305793126 1069307844 /nfs/dbraw/zinc/30/78/44/1069307844.db2.gz WSMCASAJPLDBCN-LJQANCHMSA-N 1 1 468.646 3.259 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1CN1CC[C@H](CO)C1 ZINC001164417986 718892559 /nfs/dbraw/zinc/89/25/59/718892559.db2.gz MJVHEYIMVOPXBD-WMZHIEFXSA-N 1 1 457.663 3.239 20 0 JGADMO CCOC(=O)c1nc2n(n1)CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164617301 719005794 /nfs/dbraw/zinc/00/57/94/719005794.db2.gz RMXXXNWDLIRENE-HNNXBMFYSA-N 1 1 481.626 3.200 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618942 719085166 /nfs/dbraw/zinc/08/51/66/719085166.db2.gz BQOJVNCBIXWYRL-ROUUACIJSA-N 1 1 454.962 3.144 20 0 JGADMO CN(C)C(=O)CN1CC[C@@]2(CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001164634486 719143181 /nfs/dbraw/zinc/14/31/81/719143181.db2.gz VJIOEKVKNNXPOZ-AMGIVPHBSA-N 1 1 496.055 3.242 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4scc(-c5cccs5)c43)CC2)C1=O ZINC001164633930 719270955 /nfs/dbraw/zinc/27/09/55/719270955.db2.gz JVPIQHHGKLJQAE-UHFFFAOYSA-N 1 1 457.625 3.179 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4scc(-c5cccs5)c43)CC2)C1=O ZINC001164633930 719270956 /nfs/dbraw/zinc/27/09/56/719270956.db2.gz JVPIQHHGKLJQAE-UHFFFAOYSA-N 1 1 457.625 3.179 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cnoc3C)C2)nc1 ZINC001164649299 719320915 /nfs/dbraw/zinc/32/09/15/719320915.db2.gz BZLCGWLRYZNSQO-KZDDHRSZSA-N 1 1 453.587 3.339 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164665421 719356747 /nfs/dbraw/zinc/35/67/47/719356747.db2.gz WVBRRTYCDSTMDU-HXUWFJFHSA-N 1 1 452.937 3.259 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4nc(Cl)ccc4F)C3)C2)cc[nH+]1 ZINC001164663388 719356946 /nfs/dbraw/zinc/35/69/46/719356946.db2.gz DPSOUOIZKIZCEM-FQEVSTJZSA-N 1 1 470.927 3.398 20 0 JGADMO COc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)c(Cl)n1 ZINC001164665413 719356959 /nfs/dbraw/zinc/35/69/59/719356959.db2.gz WSVWNJZFIYOYGN-OAQYLSRUSA-N 1 1 482.963 3.268 20 0 JGADMO C[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc43)C[C@H]21 ZINC001164674331 719428353 /nfs/dbraw/zinc/42/83/53/719428353.db2.gz WHCDYXKMNUYMSD-XLIONFOSSA-N 1 1 470.570 3.052 20 0 JGADMO CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164670353 719443462 /nfs/dbraw/zinc/44/34/62/719443462.db2.gz NWSJXBCGZUJLCZ-HKUYNNGSSA-N 1 1 482.606 3.295 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@H](OCC(=O)NC)CO3)CC2)n1 ZINC001164676924 719554139 /nfs/dbraw/zinc/55/41/39/719554139.db2.gz INTAFJMWUBKGAI-SFHVURJKSA-N 1 1 475.659 3.040 20 0 JGADMO O=C([C@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC12CCOCC2)N1CC=CC1 ZINC001164678584 719557291 /nfs/dbraw/zinc/55/72/91/719557291.db2.gz ZZNTUKGFOGTHAD-XMMPIXPASA-N 1 1 458.606 3.271 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3cc(OCc4ccccc4)c(OC)cc31)CC2 ZINC001164681794 719704927 /nfs/dbraw/zinc/70/49/27/719704927.db2.gz AQCBBJFYFUOHQO-UHFFFAOYSA-N 1 1 475.593 3.398 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)CC2 ZINC001164686783 719719429 /nfs/dbraw/zinc/71/94/29/719719429.db2.gz SJJOGMYDNQOBQD-UHFFFAOYSA-N 1 1 459.953 3.307 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)nc1 ZINC001164691431 719800414 /nfs/dbraw/zinc/80/04/14/719800414.db2.gz GRTYETDHDMBRFV-PMACEKPBSA-N 1 1 491.665 3.440 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3OCCN(c4ncccn4)[C@H]3C2)n1 ZINC001164691781 719801398 /nfs/dbraw/zinc/80/13/98/719801398.db2.gz JYLNDESDDHJPLR-PMACEKPBSA-N 1 1 473.606 3.304 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1C(=O)OCC ZINC001164692597 719806662 /nfs/dbraw/zinc/80/66/62/719806662.db2.gz KOTVCTKAZPVMJL-UHFFFAOYSA-N 1 1 473.599 3.230 20 0 JGADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(S(=O)(=O)N4CCCC4)ccn2)CC3)cs1 ZINC001164692228 719815028 /nfs/dbraw/zinc/81/50/28/719815028.db2.gz OUCVRVCSYKOEOP-UHFFFAOYSA-N 1 1 461.657 3.266 20 0 JGADMO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2O1 ZINC001164698633 719819379 /nfs/dbraw/zinc/81/93/79/719819379.db2.gz FMXRURGXMDXYER-COPCDDAFSA-N 1 1 470.017 3.069 20 0 JGADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OCc3ccccc3)ccc21 ZINC001164707438 719877091 /nfs/dbraw/zinc/87/70/91/719877091.db2.gz SPBGQRWJKUGXMG-ZBLYBZFDSA-N 1 1 476.577 3.442 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@@H]4C3)c2c1C ZINC001164704950 719884173 /nfs/dbraw/zinc/88/41/73/719884173.db2.gz XXIBRLMIDHDBDC-GUDVDZBRSA-N 1 1 493.637 3.031 20 0 JGADMO CCOC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C(=O)OCC ZINC001164707762 719908919 /nfs/dbraw/zinc/90/89/19/719908919.db2.gz XNOYZTLTFJGCMB-UHFFFAOYSA-N 1 1 473.595 3.368 20 0 JGADMO CCOC(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1C(=O)OCC ZINC001164707762 719908929 /nfs/dbraw/zinc/90/89/29/719908929.db2.gz XNOYZTLTFJGCMB-UHFFFAOYSA-N 1 1 473.595 3.368 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c12 ZINC001164811439 720070756 /nfs/dbraw/zinc/07/07/56/720070756.db2.gz OJARQLHIJWIPHH-SIBVEZHUSA-N 1 1 463.582 3.244 20 0 JGADMO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cn1 ZINC001164709304 720073519 /nfs/dbraw/zinc/07/35/19/720073519.db2.gz DEOAFQIRGKGGIY-RBUKOAKNSA-N 1 1 477.638 3.284 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164812193 720073794 /nfs/dbraw/zinc/07/37/94/720073794.db2.gz PVCTZTFXPSNRAY-QRWLVFNGSA-N 1 1 458.937 3.036 20 0 JGADMO Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cn1 ZINC001164709302 720073862 /nfs/dbraw/zinc/07/38/62/720073862.db2.gz DEOAFQIRGKGGIY-OALUTQOASA-N 1 1 477.638 3.284 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1Cl ZINC001164809298 720074246 /nfs/dbraw/zinc/07/42/46/720074246.db2.gz JGRBUYSZPNRJIB-QRWLVFNGSA-N 1 1 458.937 3.036 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)n1 ZINC001164711923 720074316 /nfs/dbraw/zinc/07/43/16/720074316.db2.gz NZMYCIADYHSXGD-ZWKOTPCHSA-N 1 1 453.616 3.268 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164812191 720074783 /nfs/dbraw/zinc/07/47/83/720074783.db2.gz PVCTZTFXPSNRAY-MGPUTAFESA-N 1 1 458.937 3.036 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164710772 720095774 /nfs/dbraw/zinc/09/57/74/720095774.db2.gz MIOLZOGCQHGGTK-SFHVURJKSA-N 1 1 459.978 3.209 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164710272 720096599 /nfs/dbraw/zinc/09/65/99/720096599.db2.gz IDGQVVJUXLULPA-KRWDZBQOSA-N 1 1 479.959 3.281 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)C2 ZINC001164814956 720117751 /nfs/dbraw/zinc/11/77/51/720117751.db2.gz USNSBCZLXIUNKA-UQBPGWFLSA-N 1 1 455.603 3.163 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164719468 720123232 /nfs/dbraw/zinc/12/32/32/720123232.db2.gz XKEFXCIKRJBTCH-INIZCTEOSA-N 1 1 459.953 3.020 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cnccc3cc1C(=O)OC)CC2 ZINC001164719081 720123621 /nfs/dbraw/zinc/12/36/21/720123621.db2.gz VLZCUJYEWQJHMO-OAQYLSRUSA-N 1 1 461.566 3.319 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cc(C)sc3c(N3CCOCC3)n1)C2 ZINC001164814271 720135049 /nfs/dbraw/zinc/13/50/49/720135049.db2.gz RRQOVMOMTJYAKV-DVECYGJZSA-N 1 1 457.644 3.021 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(SCC(=O)OC)n1)CC2 ZINC001164710827 720135139 /nfs/dbraw/zinc/13/51/39/720135139.db2.gz DJMJBDKGUWZMJX-HXUWFJFHSA-N 1 1 456.612 3.249 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cc(C)sc3c(N3CCOCC3)n1)C2 ZINC001164814251 720135727 /nfs/dbraw/zinc/13/57/27/720135727.db2.gz RRQOVMOMTJYAKV-CYFREDJKSA-N 1 1 457.644 3.021 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164713533 720141298 /nfs/dbraw/zinc/14/12/98/720141298.db2.gz RLSPDGIIHOWLOU-GOSISDBHSA-N 1 1 467.948 3.500 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815022 720147738 /nfs/dbraw/zinc/14/77/38/720147738.db2.gz GVTFJWVBAGFRNI-BVZFJXPGSA-N 1 1 458.603 3.038 20 0 JGADMO CCOC(=O)c1cnc(CC)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164713964 720151485 /nfs/dbraw/zinc/15/14/85/720151485.db2.gz UMHPDMBGJFZBGC-HXUWFJFHSA-N 1 1 453.587 3.118 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164716332 720156021 /nfs/dbraw/zinc/15/60/21/720156021.db2.gz ZKOFNNUDZKSMTA-PMACEKPBSA-N 1 1 474.005 3.200 20 0 JGADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164715118 720157647 /nfs/dbraw/zinc/15/76/47/720157647.db2.gz STIFOAVDGUQDAA-NZQKXSOJSA-N 1 1 479.625 3.047 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164711903 720157866 /nfs/dbraw/zinc/15/78/66/720157866.db2.gz DJKDBOZVURPOTH-LJQANCHMSA-N 1 1 452.933 3.421 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164815597 720178216 /nfs/dbraw/zinc/17/82/16/720178216.db2.gz IKYSIIYHIHIYCI-KKSFZXQISA-N 1 1 463.007 3.024 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 ZINC001164815971 720180694 /nfs/dbraw/zinc/18/06/94/720180694.db2.gz JEFFEAVDJUEBGK-QFQXNSOFSA-N 1 1 450.583 3.490 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 ZINC001164815969 720181396 /nfs/dbraw/zinc/18/13/96/720181396.db2.gz JEFFEAVDJUEBGK-HFZDXXHNSA-N 1 1 450.583 3.490 20 0 JGADMO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)C2 ZINC001164820144 720184124 /nfs/dbraw/zinc/18/41/24/720184124.db2.gz ZRZYZFQBOAFWOL-DVECYGJZSA-N 1 1 474.602 3.206 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)C2 ZINC001164820144 720184128 /nfs/dbraw/zinc/18/41/28/720184128.db2.gz ZRZYZFQBOAFWOL-DVECYGJZSA-N 1 1 474.602 3.206 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001164817738 720188844 /nfs/dbraw/zinc/18/88/44/720188844.db2.gz QCQMEOOQVWJBQA-YIXXDRMTSA-N 1 1 463.626 3.165 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CCC2 ZINC001164814114 720226700 /nfs/dbraw/zinc/22/67/00/720226700.db2.gz UQFCKGWSNNDGDU-UHFFFAOYSA-N 1 1 461.994 3.498 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)C2)C1 ZINC001164718448 720231802 /nfs/dbraw/zinc/23/18/02/720231802.db2.gz MCIJGRPFIOQYNM-AREMUKBSSA-N 1 1 481.547 3.240 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)C2)C1 ZINC001164718448 720231810 /nfs/dbraw/zinc/23/18/10/720231810.db2.gz MCIJGRPFIOQYNM-AREMUKBSSA-N 1 1 481.547 3.240 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)OCc3ccccc3)cn1)CCC2 ZINC001164814551 720240242 /nfs/dbraw/zinc/24/02/42/720240242.db2.gz YCMBZKOGICEUIW-UHFFFAOYSA-N 1 1 461.566 3.246 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C2)C1 ZINC001164718187 720243495 /nfs/dbraw/zinc/24/34/95/720243495.db2.gz CQSMWZVMXAXHIJ-MUUNZHRXSA-N 1 1 471.605 3.475 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C2)C1 ZINC001164718187 720243501 /nfs/dbraw/zinc/24/35/01/720243501.db2.gz CQSMWZVMXAXHIJ-MUUNZHRXSA-N 1 1 471.605 3.475 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)C2)C1 ZINC001164721305 720284738 /nfs/dbraw/zinc/28/47/38/720284738.db2.gz JJHDOAJXPSGLSQ-SANMLTNESA-N 1 1 481.547 3.240 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)C2)C1 ZINC001164721305 720284752 /nfs/dbraw/zinc/28/47/52/720284752.db2.gz JJHDOAJXPSGLSQ-SANMLTNESA-N 1 1 481.547 3.240 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)C2)C1 ZINC001164721392 720305602 /nfs/dbraw/zinc/30/56/02/720305602.db2.gz GUZVUZIBKTVCRC-QFIPXVFZSA-N 1 1 452.933 3.140 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)C2)C1 ZINC001164721392 720305606 /nfs/dbraw/zinc/30/56/06/720305606.db2.gz GUZVUZIBKTVCRC-QFIPXVFZSA-N 1 1 452.933 3.140 20 0 JGADMO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164722354 720313407 /nfs/dbraw/zinc/31/34/07/720313407.db2.gz KPKWOQNJPVKZAC-XMMPIXPASA-N 1 1 459.598 3.052 20 0 JGADMO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164722354 720313415 /nfs/dbraw/zinc/31/34/15/720313415.db2.gz KPKWOQNJPVKZAC-XMMPIXPASA-N 1 1 459.598 3.052 20 0 JGADMO Cc1nc(CN2CCN(C)C3(CCN(c4[nH+]cnc5c4ccn5C(C)C)CC3)C2=O)cs1 ZINC001164819782 720378227 /nfs/dbraw/zinc/37/82/27/720378227.db2.gz IKKVPSXJHUTPIA-UHFFFAOYSA-N 1 1 453.616 3.090 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2N1C1CCCC1 ZINC001164724283 720382558 /nfs/dbraw/zinc/38/25/58/720382558.db2.gz IYVPLWSURUDBRC-FSSWDIPSSA-N 1 1 461.614 3.229 20 0 JGADMO O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731373 720406559 /nfs/dbraw/zinc/40/65/59/720406559.db2.gz ZHJGQGFYUHLLLA-SXOMAYOGSA-N 1 1 482.632 3.288 20 0 JGADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@H](CO)C3)O2)n1 ZINC001164830444 720406705 /nfs/dbraw/zinc/40/67/05/720406705.db2.gz QURQEFZJMKHYAP-UPZYVNNASA-N 1 1 498.628 3.071 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1CN1CC[C@@H](CO)C1 ZINC001164729291 720415933 /nfs/dbraw/zinc/41/59/33/720415933.db2.gz GQPCXUIEVLGNNV-SDUSCBPUSA-N 1 1 492.668 3.129 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1CN1CC[C@@H](CO)C1 ZINC001164729291 720415937 /nfs/dbraw/zinc/41/59/37/720415937.db2.gz GQPCXUIEVLGNNV-SDUSCBPUSA-N 1 1 492.668 3.129 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164731495 720439845 /nfs/dbraw/zinc/43/98/45/720439845.db2.gz KYEOGKZQKODANC-LEWJYISDSA-N 1 1 464.639 3.389 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834299 720517654 /nfs/dbraw/zinc/51/76/54/720517654.db2.gz FGSQFVDLVSQVPO-IRFCIJBXSA-N 1 1 467.643 3.102 20 0 JGADMO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc2F)C1 ZINC001164732482 720528951 /nfs/dbraw/zinc/52/89/51/720528951.db2.gz DADDFZSAWUBWPX-HNNXBMFYSA-N 1 1 478.981 3.069 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2s1 ZINC001164839546 720572897 /nfs/dbraw/zinc/57/28/97/720572897.db2.gz QMJBSQIBVMGBNT-YQVWRLOYSA-N 1 1 454.600 3.442 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835974 720578573 /nfs/dbraw/zinc/57/85/73/720578573.db2.gz DGGXEPMMBIDHIL-XQBPLPMBSA-N 1 1 482.629 3.427 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)CC[C@@H]21 ZINC001164842238 720624784 /nfs/dbraw/zinc/62/47/84/720624784.db2.gz UVCNLGBSAHJRQO-AFESJLNVSA-N 1 1 486.668 3.378 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)CC[C@@H]21 ZINC001164842241 720624976 /nfs/dbraw/zinc/62/49/76/720624976.db2.gz UVCNLGBSAHJRQO-RNXOBYDBSA-N 1 1 486.668 3.378 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)CC[C@@H]21 ZINC001164841973 720652098 /nfs/dbraw/zinc/65/20/98/720652098.db2.gz RJGPIOLAJQFSRS-NJAFHUGGSA-N 1 1 488.004 3.258 20 0 JGADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736908 720689733 /nfs/dbraw/zinc/68/97/33/720689733.db2.gz CFPGEZRCCULAMY-JSGCOSHPSA-N 1 1 483.306 3.493 20 0 JGADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736908 720689742 /nfs/dbraw/zinc/68/97/42/720689742.db2.gz CFPGEZRCCULAMY-JSGCOSHPSA-N 1 1 483.306 3.493 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164843371 720692074 /nfs/dbraw/zinc/69/20/74/720692074.db2.gz OWIDWAJMBPIYRV-HXUWFJFHSA-N 1 1 458.006 3.227 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740377 720725523 /nfs/dbraw/zinc/72/55/23/720725523.db2.gz KJWYFAUNPRHNHZ-SJORKVTESA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740377 720725528 /nfs/dbraw/zinc/72/55/28/720725528.db2.gz KJWYFAUNPRHNHZ-SJORKVTESA-N 1 1 458.900 3.474 20 0 JGADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745279 720757754 /nfs/dbraw/zinc/75/77/54/720757754.db2.gz UVCIWAMMSANEGT-HZPDHXFCSA-N 1 1 453.930 3.197 20 0 JGADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164741060 720764383 /nfs/dbraw/zinc/76/43/83/720764383.db2.gz LYNHOGSCMXHTOB-WOJBJXKFSA-N 1 1 450.930 3.119 20 0 JGADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744218 720783047 /nfs/dbraw/zinc/78/30/47/720783047.db2.gz RPERBOFTPSCWJM-ZWKOTPCHSA-N 1 1 458.900 3.474 20 0 JGADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748701 720803651 /nfs/dbraw/zinc/80/36/51/720803651.db2.gz RATNGUCPXJFXFG-JKSUJKDBSA-N 1 1 454.918 3.063 20 0 JGADMO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752143 720811573 /nfs/dbraw/zinc/81/15/73/720811573.db2.gz YWGZZKHJOHHNGC-SQWLQELKSA-N 1 1 458.344 3.299 20 0 JGADMO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752135 720811773 /nfs/dbraw/zinc/81/17/73/720811773.db2.gz YWGZZKHJOHHNGC-IIAWOOMASA-N 1 1 458.344 3.299 20 0 JGADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744823 720812105 /nfs/dbraw/zinc/81/21/05/720812105.db2.gz IRRYKKUAFKJGRS-RRFJBIMHSA-N 1 1 458.344 3.299 20 0 JGADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744824 720812146 /nfs/dbraw/zinc/81/21/46/720812146.db2.gz IRRYKKUAFKJGRS-SOUVJXGZSA-N 1 1 458.344 3.299 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)c2c1C ZINC001164848616 720813109 /nfs/dbraw/zinc/81/31/09/720813109.db2.gz DFMJZKUWBDJYHR-VQTJNVASSA-N 1 1 462.623 3.394 20 0 JGADMO COCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccccc2)n1 ZINC001164744207 720813526 /nfs/dbraw/zinc/81/35/26/720813526.db2.gz HYWJLZPEJDTTCJ-YFNKSVMNSA-N 1 1 459.598 3.261 20 0 JGADMO O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752780 720813975 /nfs/dbraw/zinc/81/39/75/720813975.db2.gz ZVEPHOOPJSPWET-ODGPQVTHSA-N 1 1 463.630 3.115 20 0 JGADMO Clc1cc(-c2ccncc2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164743798 720815631 /nfs/dbraw/zinc/81/56/31/720815631.db2.gz SKBBLSWFJPDGTB-SVFBPWRDSA-N 1 1 450.978 3.163 20 0 JGADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164740682 720818991 /nfs/dbraw/zinc/81/89/91/720818991.db2.gz KPZDVVPSCQEWIZ-BFHYXJOUSA-N 1 1 494.818 3.351 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164738397 720822600 /nfs/dbraw/zinc/82/26/00/720822600.db2.gz FOBDFWRAALVMKE-ABSDTBQOSA-N 1 1 484.004 3.271 20 0 JGADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739770 720824840 /nfs/dbraw/zinc/82/48/40/720824840.db2.gz IKJZAPIYOVXLOC-FKCDAAJZSA-N 1 1 484.652 3.006 20 0 JGADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739774 720825027 /nfs/dbraw/zinc/82/50/27/720825027.db2.gz IKJZAPIYOVXLOC-ONBPZOJHSA-N 1 1 484.652 3.006 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164743222 720825959 /nfs/dbraw/zinc/82/59/59/720825959.db2.gz REKCYSSDKHHPPP-TXPKVOOTSA-N 1 1 480.947 3.037 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164743217 720826030 /nfs/dbraw/zinc/82/60/30/720826030.db2.gz REKCYSSDKHHPPP-FRQCXROJSA-N 1 1 480.947 3.037 20 0 JGADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164745044 720826767 /nfs/dbraw/zinc/82/67/67/720826767.db2.gz VYVNWVSSNBXTEN-XYJFISCASA-N 1 1 452.937 3.259 20 0 JGADMO FC(F)(COc1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742162 720826907 /nfs/dbraw/zinc/82/69/07/720826907.db2.gz QAQMZFPZMFDXIW-ZIFCJYIRSA-N 1 1 452.937 3.173 20 0 JGADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164743300 720827388 /nfs/dbraw/zinc/82/73/88/720827388.db2.gz RYKLEMKSYZACIV-MZLICYQSSA-N 1 1 460.582 3.382 20 0 JGADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741942 720833569 /nfs/dbraw/zinc/83/35/69/720833569.db2.gz GDPILANXXMUWAU-CMKODMSKSA-N 1 1 472.037 3.234 20 0 JGADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741945 720833579 /nfs/dbraw/zinc/83/35/79/720833579.db2.gz GDPILANXXMUWAU-WSTZPKSXSA-N 1 1 472.037 3.234 20 0 JGADMO FC(F)(COc1cccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751796 720836288 /nfs/dbraw/zinc/83/62/88/720836288.db2.gz YRDFGFIISSQLMA-OKZBNKHCSA-N 1 1 452.937 3.173 20 0 JGADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739362 720836349 /nfs/dbraw/zinc/83/63/49/720836349.db2.gz AAVLAZKFHPNILR-SOLBZPMBSA-N 1 1 474.947 3.194 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164750320 720843292 /nfs/dbraw/zinc/84/32/92/720843292.db2.gz XGBAIBQGMSEMMC-ZHALLVOQSA-N 1 1 480.947 3.037 20 0 JGADMO Clc1nc2c(Cl)nccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745208 720845040 /nfs/dbraw/zinc/84/50/40/720845040.db2.gz MRNYXRMNQYNVBV-YQQAZPJKSA-N 1 1 459.385 3.303 20 0 JGADMO O=C(c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1)N1CCCCC1 ZINC001164751831 720848937 /nfs/dbraw/zinc/84/89/37/720848937.db2.gz ZAWXDSKORXFZIR-MQSCRBSSSA-N 1 1 484.048 3.332 20 0 JGADMO O=C(c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1)N1CCCCC1 ZINC001164751833 720849137 /nfs/dbraw/zinc/84/91/37/720849137.db2.gz ZAWXDSKORXFZIR-QZNHQXDQSA-N 1 1 484.048 3.332 20 0 JGADMO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751972 720850467 /nfs/dbraw/zinc/85/04/67/720850467.db2.gz ZYHPOTVUYYHCQR-ZMSDIMECSA-N 1 1 462.936 3.127 20 0 JGADMO CCN(C)c1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747228 720867267 /nfs/dbraw/zinc/86/72/67/720867267.db2.gz ATIPPAMBYQUZHV-BVAGGSTKSA-N 1 1 450.631 3.391 20 0 JGADMO CCN(C)c1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747228 720867268 /nfs/dbraw/zinc/86/72/68/720867268.db2.gz ATIPPAMBYQUZHV-BVAGGSTKSA-N 1 1 450.631 3.391 20 0 JGADMO COC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755299 720870995 /nfs/dbraw/zinc/87/09/95/720870995.db2.gz VWNXOEBPVKCODP-DVECYGJZSA-N 1 1 471.989 3.067 20 0 JGADMO COC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750116 720871663 /nfs/dbraw/zinc/87/16/63/720871663.db2.gz ITQUIVLQGIIJPI-YADARESESA-N 1 1 471.989 3.067 20 0 JGADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(CN4CCOCC4)cn2)C3)c1 ZINC001164754890 720873201 /nfs/dbraw/zinc/87/32/01/720873201.db2.gz UKFPGWBZBYDGOM-XTEPFMGCSA-N 1 1 477.653 3.064 20 0 JGADMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752908 720873715 /nfs/dbraw/zinc/87/37/15/720873715.db2.gz NJNFMFHJHJWNHS-ZEQKJWHPSA-N 1 1 450.583 3.408 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(OC)ccc4n3)CC[C@H]2C1 ZINC001164861171 720878960 /nfs/dbraw/zinc/87/89/60/720878960.db2.gz PFZDFOJTHBSMKN-KBXCAEBGSA-N 1 1 456.921 3.010 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752919 720879998 /nfs/dbraw/zinc/87/99/98/720879998.db2.gz NMBIQPQYXCWRSR-CJFMBICVSA-N 1 1 486.016 3.457 20 0 JGADMO COC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c1 ZINC001164749019 720881289 /nfs/dbraw/zinc/88/12/89/720881289.db2.gz GCTMZCPXEYLLDP-JYFHCDHNSA-N 1 1 450.583 3.327 20 0 JGADMO CSc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748458 720881607 /nfs/dbraw/zinc/88/16/07/720881607.db2.gz DXYRTQRFEIIFPV-GCJKJVERSA-N 1 1 461.035 3.397 20 0 JGADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)COC2 ZINC001164753877 720881660 /nfs/dbraw/zinc/88/16/60/720881660.db2.gz QGKWJHQZNGZJBJ-CYFREDJKSA-N 1 1 455.990 3.310 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]2C1 ZINC001164857512 720882175 /nfs/dbraw/zinc/88/21/75/720882175.db2.gz JUKRFQMDVSXTCS-UCNVEGJOSA-N 1 1 450.942 3.098 20 0 JGADMO COC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164754996 720885709 /nfs/dbraw/zinc/88/57/09/720885709.db2.gz KCINBLBUUCPDCT-BKMJKUGQSA-N 1 1 450.583 3.327 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)Oc3cccc(COc4cncc(Cl)n4)c3)CC[C@@H]2C1 ZINC001164853307 720888045 /nfs/dbraw/zinc/88/80/45/720888045.db2.gz BRZKPOYDKTUPOZ-QUCCMNQESA-N 1 1 498.958 3.307 20 0 JGADMO COCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(SC)n1 ZINC001164758867 720888220 /nfs/dbraw/zinc/88/82/20/720888220.db2.gz ZYIFXRHTXZHSAI-PXDATVDWSA-N 1 1 469.655 3.495 20 0 JGADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756860 720890357 /nfs/dbraw/zinc/89/03/57/720890357.db2.gz RSDNOUHVTJNNSQ-QFQXNSOFSA-N 1 1 468.573 3.466 20 0 JGADMO CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755342 720890992 /nfs/dbraw/zinc/89/09/92/720890992.db2.gz LAVKXARFIVUALQ-SQHAQQRYSA-N 1 1 464.610 3.337 20 0 JGADMO Clc1ncc(N2CCOCC2)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758161 720891012 /nfs/dbraw/zinc/89/10/12/720891012.db2.gz XHMRSOTUHXTYTL-GJZUVCINSA-N 1 1 499.059 3.117 20 0 JGADMO CCOC(=O)c1c(C)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755378 720891849 /nfs/dbraw/zinc/89/18/49/720891849.db2.gz LNQLUORYKYCMKL-NVQXNPDNSA-N 1 1 465.598 3.112 20 0 JGADMO CCOC(=O)c1c(C)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755377 720891996 /nfs/dbraw/zinc/89/19/96/720891996.db2.gz LNQLUORYKYCMKL-GJZUVCINSA-N 1 1 465.598 3.112 20 0 JGADMO CN(C)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756592 720892586 /nfs/dbraw/zinc/89/25/86/720892586.db2.gz QSMDHVMEUKLFDO-HYBUGGRVSA-N 1 1 457.022 3.346 20 0 JGADMO COCCn1ccc2c1ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757905 720893176 /nfs/dbraw/zinc/89/31/76/720893176.db2.gz WHRZWWAURURJCK-WNCULLNHSA-N 1 1 476.625 3.228 20 0 JGADMO CNC(=O)c1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164756221 720895658 /nfs/dbraw/zinc/89/56/58/720895658.db2.gz OKFWAOVSQWVCBU-NBGIEHNGSA-N 1 1 470.017 3.245 20 0 JGADMO CNC(=O)c1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164756219 720895665 /nfs/dbraw/zinc/89/56/65/720895665.db2.gz OKFWAOVSQWVCBU-CJFMBICVSA-N 1 1 470.017 3.245 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(OC)c1 ZINC001164758774 720896451 /nfs/dbraw/zinc/89/64/51/720896451.db2.gz ZDBAZIUGUSUCDK-WNCULLNHSA-N 1 1 480.609 3.417 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(OC)c1 ZINC001164758771 720896880 /nfs/dbraw/zinc/89/68/80/720896880.db2.gz ZDBAZIUGUSUCDK-HOFKKMOUSA-N 1 1 480.609 3.417 20 0 JGADMO CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(N2CCOCC2)n1 ZINC001164755696 720897976 /nfs/dbraw/zinc/89/79/76/720897976.db2.gz MQOFTGZHEAIJST-RBJSKKJNSA-N 1 1 492.668 3.026 20 0 JGADMO CCN(CC)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164758456 720898554 /nfs/dbraw/zinc/89/85/54/720898554.db2.gz YEVLXJWSKXMZDP-JYFHCDHNSA-N 1 1 450.631 3.473 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747368 720905640 /nfs/dbraw/zinc/90/56/40/720905640.db2.gz CYBRVBFOTMMOBP-CJFMBICVSA-N 1 1 486.016 3.457 20 0 JGADMO CCCNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750825 720911405 /nfs/dbraw/zinc/91/14/05/720911405.db2.gz KNFYURGPIJHOBJ-YIXXDRMTSA-N 1 1 463.626 3.372 20 0 JGADMO c1nc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1C1CC1 ZINC001164755191 720913825 /nfs/dbraw/zinc/91/38/25/720913825.db2.gz ZPFADBNCJLJFFW-HFZDXXHNSA-N 1 1 459.598 3.311 20 0 JGADMO NC(=O)c1cc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752134 720917783 /nfs/dbraw/zinc/91/77/83/720917783.db2.gz NEPXEYHLXYMHTA-NEKDWFFYSA-N 1 1 471.605 3.484 20 0 JGADMO CN1CCc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2C1 ZINC001164753150 720932305 /nfs/dbraw/zinc/93/23/05/720932305.db2.gz QMZTYNWXRUNPLM-QFQXNSOFSA-N 1 1 483.060 3.268 20 0 JGADMO CN1CCc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2C1 ZINC001164753151 720933084 /nfs/dbraw/zinc/93/30/84/720933084.db2.gz QMZTYNWXRUNPLM-RLWLMLJZSA-N 1 1 483.060 3.268 20 0 JGADMO COc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2c1ccn2C ZINC001164746556 720934514 /nfs/dbraw/zinc/93/45/14/720934514.db2.gz BRUMGIHZYMGLBN-LVXARBLLSA-N 1 1 462.598 3.127 20 0 JGADMO COCCOc1cc2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2cc1OCCOC ZINC001164856145 720935861 /nfs/dbraw/zinc/93/58/61/720935861.db2.gz BFYBVLDZAYDPEB-LJQANCHMSA-N 1 1 498.628 3.298 20 0 JGADMO CCOC(=O)Cc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752191 720936885 /nfs/dbraw/zinc/93/68/85/720936885.db2.gz NNMGJLNGNAIUKF-IGKIAQTJSA-N 1 1 464.610 3.337 20 0 JGADMO CCNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754619 720937368 /nfs/dbraw/zinc/93/73/68/720937368.db2.gz WHDYCZZEGYZBMU-NBGIEHNGSA-N 1 1 485.032 3.030 20 0 JGADMO F[C@H](Oc1ccc(Cl)nn1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750864 720938366 /nfs/dbraw/zinc/93/83/66/720938366.db2.gz KZBKENJHWDBBHH-VJBMBRPKSA-N 1 1 461.969 3.408 20 0 JGADMO CCS(=O)(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755199 720939831 /nfs/dbraw/zinc/93/98/31/720939831.db2.gz ZTFKGPSHDUSYIL-DHLKQENFSA-N 1 1 470.639 3.025 20 0 JGADMO Cc1cc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nc(N3CCOCC3)c2s1 ZINC001164860515 720975086 /nfs/dbraw/zinc/97/50/86/720975086.db2.gz OLPOXQHJEINQLD-QGZVFWFLSA-N 1 1 455.632 3.454 20 0 JGADMO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]12 ZINC001164756383 720997715 /nfs/dbraw/zinc/99/77/15/720997715.db2.gz HOCZZDKSJXOQKK-RLLQIKCJSA-N 1 1 498.697 3.278 20 0 JGADMO Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cn1 ZINC001164762983 721037964 /nfs/dbraw/zinc/03/79/64/721037964.db2.gz JJWWRMYYAGFWNI-WOJBJXKFSA-N 1 1 491.665 3.393 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164866088 721044215 /nfs/dbraw/zinc/04/42/15/721044215.db2.gz CNFLHMSIYKROFA-ZWKOTPCHSA-N 1 1 453.568 3.051 20 0 JGADMO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164774611 721051839 /nfs/dbraw/zinc/05/18/39/721051839.db2.gz XHHUQBJAWDHBJD-JWQCQUIFSA-N 1 1 454.578 3.118 20 0 JGADMO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164774611 721051848 /nfs/dbraw/zinc/05/18/48/721051848.db2.gz XHHUQBJAWDHBJD-JWQCQUIFSA-N 1 1 454.578 3.118 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866902 721061291 /nfs/dbraw/zinc/06/12/91/721061291.db2.gz GXEQOGOQGAIFLA-MSOLQXFVSA-N 1 1 464.948 3.150 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1Cl ZINC001164867395 721065679 /nfs/dbraw/zinc/06/56/79/721065679.db2.gz ISOFVKITWBYQAF-HOTGVXAUSA-N 1 1 451.354 3.440 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1Cl ZINC001164867395 721065683 /nfs/dbraw/zinc/06/56/83/721065683.db2.gz ISOFVKITWBYQAF-HOTGVXAUSA-N 1 1 451.354 3.440 20 0 JGADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164870465 721066301 /nfs/dbraw/zinc/06/63/01/721066301.db2.gz VYBXCNRYIFJSQC-QWHCGFSZSA-N 1 1 466.760 3.255 20 0 JGADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866533 721068276 /nfs/dbraw/zinc/06/82/76/721068276.db2.gz FCMLZWKKADJRIH-SFTDATJTSA-N 1 1 475.984 3.403 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865729 721077295 /nfs/dbraw/zinc/07/72/95/721077295.db2.gz OVYFJHQIHKWKBT-ZWKOTPCHSA-N 1 1 493.942 3.116 20 0 JGADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865539 721097620 /nfs/dbraw/zinc/09/76/20/721097620.db2.gz MMMDMNDMMGBNRZ-GOTSBHOMSA-N 1 1 458.541 3.493 20 0 JGADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164864914 721098796 /nfs/dbraw/zinc/09/87/96/721098796.db2.gz HJDKBMLFWOQGTB-DHIUTWEWSA-N 1 1 458.541 3.493 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164773639 721100545 /nfs/dbraw/zinc/10/05/45/721100545.db2.gz XWZBEMDHUVKGJT-UXHICEINSA-N 1 1 462.989 3.220 20 0 JGADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865374 721110349 /nfs/dbraw/zinc/11/03/49/721110349.db2.gz KNAGHHRDQQYHBM-FYYLOGMGSA-N 1 1 493.633 3.213 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866928 721121264 /nfs/dbraw/zinc/12/12/64/721121264.db2.gz VFOYCEVGTFAGGC-VQTJNVASSA-N 1 1 483.613 3.232 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766388 721122469 /nfs/dbraw/zinc/12/24/69/721122469.db2.gz KXUQKBZFSGAYCM-DLBZAZTESA-N 1 1 454.962 3.152 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2[nH]cnc21 ZINC001164881213 721133856 /nfs/dbraw/zinc/13/38/56/721133856.db2.gz ZZEYODZHLSHKLV-ROUUACIJSA-N 1 1 465.558 3.180 20 0 JGADMO O=C(c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164870964 721152898 /nfs/dbraw/zinc/15/28/98/721152898.db2.gz CTRLJVAJGAQINZ-NHCUHLMSSA-N 1 1 455.990 3.236 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164767530 721174482 /nfs/dbraw/zinc/17/44/82/721174482.db2.gz JZEWALRJPITIFY-MOPGFXCFSA-N 1 1 470.618 3.049 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164773364 721194146 /nfs/dbraw/zinc/19/41/46/721194146.db2.gz WPVSESIEEGEPIL-ROUUACIJSA-N 1 1 454.600 3.177 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C[C@@H]3C2)cn1 ZINC001164761143 721248585 /nfs/dbraw/zinc/24/85/85/721248585.db2.gz HOZHDYVYBHHYHP-KGLIPLIRSA-N 1 1 453.950 3.062 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)cn1 ZINC001164764415 721264470 /nfs/dbraw/zinc/26/44/70/721264470.db2.gz GNAIANXWKXHITF-WOJBJXKFSA-N 1 1 491.665 3.440 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)cn1 ZINC001164769362 721264526 /nfs/dbraw/zinc/26/45/26/721264526.db2.gz YAQWUGIFLNOEDV-OALUTQOASA-N 1 1 477.638 3.050 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)n1 ZINC001164767778 721264548 /nfs/dbraw/zinc/26/45/48/721264548.db2.gz SRXKIOQLDVGTQY-ROUUACIJSA-N 1 1 453.616 3.034 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc4ccccc4nc3Cl)CC2)C1 ZINC001164873311 721279301 /nfs/dbraw/zinc/27/93/01/721279301.db2.gz LEQYWEDEXQOAIQ-UHFFFAOYSA-N 1 1 466.960 3.440 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cccc4c(Cl)nccc43)CC2)C1 ZINC001164872972 721281421 /nfs/dbraw/zinc/28/14/21/721281421.db2.gz KGXLCODEYIKABP-UHFFFAOYSA-N 1 1 466.960 3.440 20 0 JGADMO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164873396 721282127 /nfs/dbraw/zinc/28/21/27/721282127.db2.gz LUOANZDQGPUVBA-UHFFFAOYSA-N 1 1 462.994 3.009 20 0 JGADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872817 721284810 /nfs/dbraw/zinc/28/48/10/721284810.db2.gz FYEXEFLUTQMLOJ-OAQYLSRUSA-N 1 1 480.657 3.016 20 0 JGADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164879142 721286187 /nfs/dbraw/zinc/28/61/87/721286187.db2.gz VIUIHSUWXPCIJR-UHFFFAOYSA-N 1 1 458.006 3.112 20 0 JGADMO COc1cccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)n2)c1 ZINC001164877215 721288495 /nfs/dbraw/zinc/28/84/95/721288495.db2.gz MFVWLADVHQZTGI-UHFFFAOYSA-N 1 1 489.620 3.312 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4OCCN(c5ccc(C)nn5)[C@H]4C3)c2c1C ZINC001164775816 721312345 /nfs/dbraw/zinc/31/23/45/721312345.db2.gz KAMUSGNUPMURBY-OALUTQOASA-N 1 1 465.627 3.096 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4OCCN(c5ccc(C)nn5)[C@H]4C3)c2c1C ZINC001164776429 721312593 /nfs/dbraw/zinc/31/25/93/721312593.db2.gz NUKPVSWYKHHOOC-PMACEKPBSA-N 1 1 479.654 3.486 20 0 JGADMO CCOC(=O)c1cnc(SC)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776648 721332847 /nfs/dbraw/zinc/33/28/47/721332847.db2.gz HLHOCHCCYADLBG-HSZRJFAPSA-N 1 1 475.615 3.099 20 0 JGADMO CCOC(=O)c1cnc(SC)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776648 721332850 /nfs/dbraw/zinc/33/28/50/721332850.db2.gz HLHOCHCCYADLBG-HSZRJFAPSA-N 1 1 475.615 3.099 20 0 JGADMO CCOC(=O)/C=C\c1cccnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778866 721333944 /nfs/dbraw/zinc/33/39/44/721333944.db2.gz ZMZBTIHJJGAFDJ-RRFNBQSRSA-N 1 1 454.571 3.382 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCCCC3)C2)C1 ZINC001164778765 721336299 /nfs/dbraw/zinc/33/62/99/721336299.db2.gz YGLSMQYKCMEBTO-AREMUKBSSA-N 1 1 467.614 3.432 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCCCC3)C2)C1 ZINC001164778765 721336302 /nfs/dbraw/zinc/33/63/02/721336302.db2.gz YGLSMQYKCMEBTO-AREMUKBSSA-N 1 1 467.614 3.432 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1 ZINC001164881784 721338941 /nfs/dbraw/zinc/33/89/41/721338941.db2.gz AVKSRLOBHAOEOF-PLXFJCCSSA-N 1 1 456.631 3.110 20 0 JGADMO COC(=O)c1cccc2nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncc21 ZINC001164780098 721343954 /nfs/dbraw/zinc/34/39/54/721343954.db2.gz ZQWVTDMKNFMLJG-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1cccc2nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncc21 ZINC001164780098 721343957 /nfs/dbraw/zinc/34/39/57/721343957.db2.gz ZQWVTDMKNFMLJG-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)c2c1C ZINC001164884197 721344224 /nfs/dbraw/zinc/34/42/24/721344224.db2.gz NDTUTBMCSPVJIB-KBMIEXCESA-N 1 1 469.655 3.416 20 0 JGADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc-2n1 ZINC001164779088 721348166 /nfs/dbraw/zinc/34/81/66/721348166.db2.gz QOKAAGULMJHVGR-RUZDIDTESA-N 1 1 483.569 3.082 20 0 JGADMO COc1cc2ncc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2cc1OC ZINC001164779748 721348638 /nfs/dbraw/zinc/34/86/38/721348638.db2.gz VKWJDUIETXOIHK-VWLOTQADSA-N 1 1 467.570 3.371 20 0 JGADMO COc1cc2ncc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2cc1OC ZINC001164779748 721348640 /nfs/dbraw/zinc/34/86/40/721348640.db2.gz VKWJDUIETXOIHK-VWLOTQADSA-N 1 1 467.570 3.371 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC(C)(C)C)cn3)C2)C1 ZINC001164778637 721350653 /nfs/dbraw/zinc/35/06/53/721350653.db2.gz NLVCVFOMSIKSIF-VWLOTQADSA-N 1 1 455.603 3.334 20 0 JGADMO COC(=O)c1cc2ccncc2nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779465 721353237 /nfs/dbraw/zinc/35/32/37/721353237.db2.gz UAVIRXHFKVBMDC-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1cc2ccncc2nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779465 721353238 /nfs/dbraw/zinc/35/32/38/721353238.db2.gz UAVIRXHFKVBMDC-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1cc2ccncc2nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779466 721353421 /nfs/dbraw/zinc/35/34/21/721353421.db2.gz UAVIRXHFKVBMDC-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1cc2ccncc2nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779466 721353423 /nfs/dbraw/zinc/35/34/23/721353423.db2.gz UAVIRXHFKVBMDC-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780253 721362207 /nfs/dbraw/zinc/36/22/07/721362207.db2.gz DUCIKYLJMSOLNX-FTDLSCCJSA-N 1 1 479.581 3.473 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3ccc(Cl)nn3)C2)C1 ZINC001164782984 721366706 /nfs/dbraw/zinc/36/67/06/721366706.db2.gz OQPWAKIIPDELFP-HXUWFJFHSA-N 1 1 471.936 3.321 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)COc3ccc(Cl)nn3)C2)C1 ZINC001164782984 721366710 /nfs/dbraw/zinc/36/67/10/721366710.db2.gz OQPWAKIIPDELFP-HXUWFJFHSA-N 1 1 471.936 3.321 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c(Cl)ncnc43)C2)C1 ZINC001164784152 721371688 /nfs/dbraw/zinc/37/16/88/721371688.db2.gz QNJYTAKERUESQY-OAQYLSRUSA-N 1 1 478.384 3.450 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c(Cl)ncnc43)C2)C1 ZINC001164784140 721372281 /nfs/dbraw/zinc/37/22/81/721372281.db2.gz QNJYTAKERUESQY-NRFANRHFSA-N 1 1 478.384 3.450 20 0 JGADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21)c1cccnc1 ZINC001164783053 721378972 /nfs/dbraw/zinc/37/89/72/721378972.db2.gz NFXLXAXZYRCBNA-OROMBRFGSA-N 1 1 483.616 3.449 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C3)O2)CC1 ZINC001164884352 721383910 /nfs/dbraw/zinc/38/39/10/721383910.db2.gz AJRJYRLSFDHSSD-KDOFPFPSSA-N 1 1 450.361 3.094 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164889417 721402301 /nfs/dbraw/zinc/40/23/01/721402301.db2.gz QGKNMUHLESPEGH-MZNJEOGPSA-N 1 1 476.021 3.066 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4OCc4ccccc4)C3)O2)CC1 ZINC001164887303 721414661 /nfs/dbraw/zinc/41/46/61/721414661.db2.gz LWONRLMNVDHAKJ-BWKNWUBXSA-N 1 1 472.033 3.474 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C3)O2)CC1 ZINC001164885887 721418105 /nfs/dbraw/zinc/41/81/05/721418105.db2.gz HTKHQENSAMIPQA-UUOWRZLLSA-N 1 1 464.054 3.029 20 0 JGADMO COc1cccc(Oc2cncc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)c1 ZINC001164893113 721424483 /nfs/dbraw/zinc/42/44/83/721424483.db2.gz JALKFZWVUNUHNJ-RCZVLFRGSA-N 1 1 453.587 3.043 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1C ZINC001164780833 721426810 /nfs/dbraw/zinc/42/68/10/721426810.db2.gz AIKLKGIKYJAGIX-ROUUACIJSA-N 1 1 470.668 3.165 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164888663 721430856 /nfs/dbraw/zinc/43/08/56/721430856.db2.gz AAGVACKQTYRSIH-DFBJGRDBSA-N 1 1 488.032 3.225 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5ccccc5nc4N4CCCCC4)C3)O2)CC1 ZINC001164899342 721431422 /nfs/dbraw/zinc/43/14/22/721431422.db2.gz YHVXHIVMQCGTSM-AMGIVPHBSA-N 1 1 464.658 3.386 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(Cl)nccc54)C3)O2)CC1 ZINC001164893751 721431485 /nfs/dbraw/zinc/43/14/85/721431485.db2.gz KISDQPMATQSXFB-BTYIYWSLSA-N 1 1 451.402 3.097 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4N4CCCCC4)C3)O2)CC1 ZINC001164899339 721431732 /nfs/dbraw/zinc/43/17/32/721431732.db2.gz YHVXHIVMQCGTSM-AJTFRIOCSA-N 1 1 464.658 3.386 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)O2)CC1 ZINC001164898318 721436576 /nfs/dbraw/zinc/43/65/76/721436576.db2.gz VQOFZPKNOKWORI-LAUBAEHRSA-N 1 1 455.981 3.318 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(C(=O)N5CCCCC5)cc4Cl)C3)O2)CC1 ZINC001164889551 721437354 /nfs/dbraw/zinc/43/73/54/721437354.db2.gz BNUUFRZIVBWXNV-SQJMNOBHSA-N 1 1 476.065 3.127 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)C3)O2)CC1 ZINC001164894914 721444218 /nfs/dbraw/zinc/44/42/18/721444218.db2.gz NFJOXUCFBKGRKI-UTKZUKDTSA-N 1 1 482.963 3.095 20 0 JGADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164895423 721444762 /nfs/dbraw/zinc/44/47/62/721444762.db2.gz OWGHTEQLNISRQQ-ZEQKJWHPSA-N 1 1 451.615 3.129 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(C(=O)OC(C)(C)C)cc4Cl)C3)O2)CC1 ZINC001164898802 721446782 /nfs/dbraw/zinc/44/67/82/721446782.db2.gz XOIKGLCTMKKMJL-NTKDMRAZSA-N 1 1 465.038 3.456 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164790434 721452074 /nfs/dbraw/zinc/45/20/74/721452074.db2.gz ZAGKLINUUBUUJM-IBGZPJMESA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(C(=O)OC)ccc31)CC2 ZINC001164790233 721452689 /nfs/dbraw/zinc/45/26/89/721452689.db2.gz XMCMGBINECLTRT-OAQYLSRUSA-N 1 1 468.598 3.150 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C3)O2)CC1 ZINC001164885997 721453766 /nfs/dbraw/zinc/45/37/66/721453766.db2.gz GBWYNZJDFQCWAO-YWZLYKJASA-N 1 1 487.020 3.136 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164782782 721458308 /nfs/dbraw/zinc/45/83/08/721458308.db2.gz BTIMLVWUABPXBG-SFHVURJKSA-N 1 1 467.010 3.041 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@H]43)c2c1C ZINC001164884922 721458473 /nfs/dbraw/zinc/45/84/73/721458473.db2.gz CMVYNIKRKQTUPR-QYZOEREBSA-N 1 1 455.628 3.166 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@H]32)n1 ZINC001164886668 721459168 /nfs/dbraw/zinc/45/91/68/721459168.db2.gz IFNUUSXCXKGHHF-CEXWTWQISA-N 1 1 457.644 3.412 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164783975 721459320 /nfs/dbraw/zinc/45/93/20/721459320.db2.gz GPSTZWWKOQMSRE-FQEVSTJZSA-N 1 1 459.635 3.195 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164787541 721459540 /nfs/dbraw/zinc/45/95/40/721459540.db2.gz RGENEWBKNVCCIW-QHCPKHFHSA-N 1 1 495.668 3.200 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)CC2 ZINC001164783699 721461030 /nfs/dbraw/zinc/46/10/30/721461030.db2.gz FUGPRQHGHMCSOJ-HXUWFJFHSA-N 1 1 481.037 3.102 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1/C=C/C(=O)OC)CC2 ZINC001164784660 721464130 /nfs/dbraw/zinc/46/41/30/721464130.db2.gz JHCYRWFJMHMCBX-BMOUEYTDSA-N 1 1 457.615 3.310 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788514 721464376 /nfs/dbraw/zinc/46/43/76/721464376.db2.gz TVHQCUILIGTDIH-GOSISDBHSA-N 1 1 467.010 3.041 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164786629 721467009 /nfs/dbraw/zinc/46/70/09/721467009.db2.gz BTUAVGZGGXYZTL-OAQYLSRUSA-N 1 1 483.613 3.364 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164791858 721467427 /nfs/dbraw/zinc/46/74/27/721467427.db2.gz ZZMSFPJPBMOJBO-SFHVURJKSA-N 1 1 474.980 3.331 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164788806 721468637 /nfs/dbraw/zinc/46/86/37/721468637.db2.gz LGRNCWJAYQGJDT-QFIPXVFZSA-N 1 1 455.578 3.412 20 0 JGADMO c1cn2c(n1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C[C@H](COCc1ccccn1)C2 ZINC001164888986 721469372 /nfs/dbraw/zinc/46/93/72/721469372.db2.gz GXTZLMZAWPFJFZ-HSZRJFAPSA-N 1 1 481.604 3.480 20 0 JGADMO c1cn2c(n1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C[C@H](COCc1ccccn1)C2 ZINC001164888986 721469373 /nfs/dbraw/zinc/46/93/73/721469373.db2.gz GXTZLMZAWPFJFZ-HSZRJFAPSA-N 1 1 481.604 3.480 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164791223 721473864 /nfs/dbraw/zinc/47/38/64/721473864.db2.gz VLUUAGSOVALTLO-IBGZPJMESA-N 1 1 459.965 3.252 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164788784 721473893 /nfs/dbraw/zinc/47/38/93/721473893.db2.gz KQYAOQIVNUQLGB-QGZVFWFLSA-N 1 1 460.953 3.289 20 0 JGADMO O=C(C[C@@H]1COC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21)N1CCC(F)CC1 ZINC001164892439 721477952 /nfs/dbraw/zinc/47/79/52/721477952.db2.gz GCMQUZJYBKRWFT-DYXWJJEUSA-N 1 1 465.013 3.380 20 0 JGADMO O=C(C[C@@H]1COC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21)N1CCC(F)CC1 ZINC001164892448 721478353 /nfs/dbraw/zinc/47/83/53/721478353.db2.gz GCMQUZJYBKRWFT-SFHLNBCPSA-N 1 1 465.013 3.380 20 0 JGADMO O=C([C@@H]1CCO[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCO1 ZINC001164792702 721480041 /nfs/dbraw/zinc/48/00/41/721480041.db2.gz OSPNOYBQJUNBIG-VDKIKQQVSA-N 1 1 462.594 3.035 20 0 JGADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3scnc3c(N3CCOCC3)n1)CC2 ZINC001164792242 721493231 /nfs/dbraw/zinc/49/32/31/721493231.db2.gz LIAUXGJIICGKNS-UHFFFAOYSA-N 1 1 465.627 3.199 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164800663 721528764 /nfs/dbraw/zinc/52/87/64/721528764.db2.gz DAUFSHBPVWIEDB-FGTMMUONSA-N 1 1 481.931 3.115 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164800663 721528768 /nfs/dbraw/zinc/52/87/68/721528768.db2.gz DAUFSHBPVWIEDB-FGTMMUONSA-N 1 1 481.931 3.115 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912469 721546040 /nfs/dbraw/zinc/54/60/40/721546040.db2.gz ZWWZDEQVOKBNSP-RBBKRZOGSA-N 1 1 463.557 3.497 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3COC(=O)C(C)(C)C)[C@H]2CCCO[C@H]12 ZINC001164802441 721554948 /nfs/dbraw/zinc/55/49/48/721554948.db2.gz IQNVFSYQHPMOFQ-BDTNDASRSA-N 1 1 478.597 3.241 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801443 721555596 /nfs/dbraw/zinc/55/55/96/721555596.db2.gz GPSZIEKKRFVSSM-PCCBWWKXSA-N 1 1 467.957 3.333 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801443 721555597 /nfs/dbraw/zinc/55/55/97/721555597.db2.gz GPSZIEKKRFVSSM-PCCBWWKXSA-N 1 1 467.957 3.333 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164904183 721556316 /nfs/dbraw/zinc/55/63/16/721556316.db2.gz DGHCATDFOXCCCD-CUWPLCDZSA-N 1 1 462.591 3.030 20 0 JGADMO O=C(Nc1nncs1)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164911446 721557893 /nfs/dbraw/zinc/55/78/93/721557893.db2.gz ZETZLMZTAZVHSI-DOTOQJQBSA-N 1 1 474.949 3.320 20 0 JGADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164909157 721562184 /nfs/dbraw/zinc/56/21/84/721562184.db2.gz SCWSFAZWFJDXMM-NOZRDPDXSA-N 1 1 475.568 3.461 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800766 721563117 /nfs/dbraw/zinc/56/31/17/721563117.db2.gz FOKOCWKUCHNKIK-ISJGIBHGSA-N 1 1 486.624 3.187 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800766 721563121 /nfs/dbraw/zinc/56/31/21/721563121.db2.gz FOKOCWKUCHNKIK-ISJGIBHGSA-N 1 1 486.624 3.187 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)[C@H]2CCCO[C@H]12 ZINC001164800758 721563548 /nfs/dbraw/zinc/56/35/48/721563548.db2.gz FOKOCWKUCHNKIK-GVAUOCQISA-N 1 1 486.624 3.187 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)[C@H]2CCCO[C@H]12 ZINC001164800758 721563551 /nfs/dbraw/zinc/56/35/51/721563551.db2.gz FOKOCWKUCHNKIK-GVAUOCQISA-N 1 1 486.624 3.187 20 0 JGADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)CC[N@H+]3C2)c1 ZINC001164904296 721568752 /nfs/dbraw/zinc/56/87/52/721568752.db2.gz DUQRAJLORGWJFC-RDJZCZTQSA-N 1 1 468.360 3.101 20 0 JGADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@H](C)C5)C[C@@H]2C1=O ZINC001164901157 721575097 /nfs/dbraw/zinc/57/50/97/721575097.db2.gz CQTHLSVSWGNLNW-NSHGMRRFSA-N 1 1 483.682 3.343 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164798225 721576628 /nfs/dbraw/zinc/57/66/28/721576628.db2.gz BAEHAGQKEXMHNI-CMKODMSKSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164798225 721576630 /nfs/dbraw/zinc/57/66/30/721576630.db2.gz BAEHAGQKEXMHNI-CMKODMSKSA-N 1 1 466.916 3.330 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799290 721582055 /nfs/dbraw/zinc/58/20/55/721582055.db2.gz AQDXCLZCDGXAMT-OTWHNJEPSA-N 1 1 486.001 3.102 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799290 721582056 /nfs/dbraw/zinc/58/20/56/721582056.db2.gz AQDXCLZCDGXAMT-OTWHNJEPSA-N 1 1 486.001 3.102 20 0 JGADMO COC(=O)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c2ccccc2c1OC ZINC001164807673 721584908 /nfs/dbraw/zinc/58/49/08/721584908.db2.gz PHFBJPSHMDIELV-DPLHUUCSSA-N 1 1 462.550 3.293 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)cc1 ZINC001164809457 721587901 /nfs/dbraw/zinc/58/79/01/721587901.db2.gz SEEILWZRWUUBAZ-RMTZWNOUSA-N 1 1 474.609 3.385 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)cc1 ZINC001164809457 721587904 /nfs/dbraw/zinc/58/79/04/721587904.db2.gz SEEILWZRWUUBAZ-RMTZWNOUSA-N 1 1 474.609 3.385 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)nc1 ZINC001164797348 721594527 /nfs/dbraw/zinc/59/45/27/721594527.db2.gz GIXJCICRKAVXIE-QPPBQGQZSA-N 1 1 456.612 3.329 20 0 JGADMO Cc1cccc(CN2CCO[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[C@H]3C2=O)n1 ZINC001164798288 721602583 /nfs/dbraw/zinc/60/25/83/721602583.db2.gz FKSWVQTYLREWHJ-YADHBBJMSA-N 1 1 470.017 3.288 20 0 JGADMO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164803219 721606150 /nfs/dbraw/zinc/60/61/50/721606150.db2.gz URAGIKGHGBRQDJ-MUUNZHRXSA-N 1 1 470.621 3.483 20 0 JGADMO c1cnn(C[C@@H]2CC[C@]3(COCCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164808211 721607404 /nfs/dbraw/zinc/60/74/04/721607404.db2.gz XFBVMZWOEGVLMQ-IGKIAQTJSA-N 1 1 459.594 3.291 20 0 JGADMO c1cnn(C[C@H]2CC[C@]3(COCCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164808227 721607459 /nfs/dbraw/zinc/60/74/59/721607459.db2.gz XFBVMZWOEGVLMQ-SQHAQQRYSA-N 1 1 459.594 3.291 20 0 JGADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904796 721705630 /nfs/dbraw/zinc/70/56/30/721705630.db2.gz DELPHNNUXFXFED-NRFANRHFSA-N 1 1 465.932 3.368 20 0 JGADMO CCc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(N2CCOCC2)n1 ZINC001164905577 721713651 /nfs/dbraw/zinc/71/36/51/721713651.db2.gz HROQZKPRYCNISZ-QHCPKHFHSA-N 1 1 458.557 3.008 20 0 JGADMO CCc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(N2CCOCC2)n1 ZINC001164905577 721713654 /nfs/dbraw/zinc/71/36/54/721713654.db2.gz HROQZKPRYCNISZ-QHCPKHFHSA-N 1 1 458.557 3.008 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908065 721718288 /nfs/dbraw/zinc/71/82/88/721718288.db2.gz UYIMSWINIJFMOW-QHCPKHFHSA-N 1 1 470.524 3.278 20 0 JGADMO O=S(=O)(c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)N1CCCCC1 ZINC001164912266 721724383 /nfs/dbraw/zinc/72/43/83/721724383.db2.gz NLGBBGDNBSBECB-QHCPKHFHSA-N 1 1 491.608 3.389 20 0 JGADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2C1 ZINC001164913158 721738008 /nfs/dbraw/zinc/73/80/08/721738008.db2.gz UQKRCGPJRLXJSI-HOYKHHGWSA-N 1 1 471.552 3.277 20 0 JGADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)cc2C1 ZINC001164912305 721766610 /nfs/dbraw/zinc/76/66/10/721766610.db2.gz XXTARTDYEKGOBJ-GOSISDBHSA-N 1 1 461.566 3.327 20 0 JGADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)cc2C1 ZINC001164912305 721766615 /nfs/dbraw/zinc/76/66/15/721766615.db2.gz XXTARTDYEKGOBJ-GOSISDBHSA-N 1 1 461.566 3.327 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165019400 721778330 /nfs/dbraw/zinc/77/83/30/721778330.db2.gz KYNUITCLMYPRFU-JQYIIUTOSA-N 1 1 456.631 3.253 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165019403 721778365 /nfs/dbraw/zinc/77/83/65/721778365.db2.gz KYNUITCLMYPRFU-UMFSSWHCSA-N 1 1 456.631 3.253 20 0 JGADMO O=C1N(c2cncnc2)CC[C@@]12CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001165023688 721784153 /nfs/dbraw/zinc/78/41/53/721784153.db2.gz TWWJSBGUFJYORF-HHHXNRCGSA-N 1 1 454.578 3.453 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCOC[C@]3(CN(C(=O)C(C)C)CCO3)C2)n1 ZINC001165024726 721787671 /nfs/dbraw/zinc/78/76/71/721787671.db2.gz SPWBXDMPEFNMQW-RUZDIDTESA-N 1 1 489.686 3.240 20 0 JGADMO CCc1nc2sc3c(c2c(N2CCO[C@]4(C2)COCC[N@H+](Cc2cccnc2)C4)n1)CCC3 ZINC001164914660 721794202 /nfs/dbraw/zinc/79/42/02/721794202.db2.gz PGBNOKPBMDCFGY-RUZDIDTESA-N 1 1 465.623 3.245 20 0 JGADMO CCc1nc2sc3c(c2c(N2CCO[C@]4(C2)COCC[N@@H+](Cc2cccnc2)C4)n1)CCC3 ZINC001164914660 721794203 /nfs/dbraw/zinc/79/42/03/721794203.db2.gz PGBNOKPBMDCFGY-RUZDIDTESA-N 1 1 465.623 3.245 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@@H]3C2)nc1 ZINC001165027247 721797024 /nfs/dbraw/zinc/79/70/24/721797024.db2.gz UVRTXDXZEOLVLZ-WXFUMESZSA-N 1 1 450.583 3.253 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018773 721816654 /nfs/dbraw/zinc/81/66/54/721816654.db2.gz AAFHBZRDXVJIKE-YTQUADARSA-N 1 1 484.004 3.175 20 0 JGADMO COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001165020790 721823165 /nfs/dbraw/zinc/82/31/65/721823165.db2.gz DUFVIYRRWGMEOU-KSEOMHKRSA-N 1 1 451.619 3.393 20 0 JGADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)C1 ZINC001165025158 721824219 /nfs/dbraw/zinc/82/42/19/721824219.db2.gz MCAWUFDSIKXTCT-SCDRESIJSA-N 1 1 478.641 3.388 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@H]21 ZINC001165018857 721825586 /nfs/dbraw/zinc/82/55/86/721825586.db2.gz AKRWKEMWZWDERB-CEMLEFRQSA-N 1 1 462.598 3.044 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC001165029567 721827140 /nfs/dbraw/zinc/82/71/40/721827140.db2.gz XFQPYWPUZKMGQC-ACIOBRDBSA-N 1 1 469.655 3.388 20 0 JGADMO COc1cc2c[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3csc(C)n3)C4)cc2cc1OC ZINC001164923007 721832799 /nfs/dbraw/zinc/83/27/99/721832799.db2.gz QFYWIELCIQTASU-DEOSSOPVSA-N 1 1 470.595 3.125 20 0 JGADMO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164926261 721835778 /nfs/dbraw/zinc/83/57/78/721835778.db2.gz RGVLEJTWFIAXRP-CUNXSJBXSA-N 1 1 471.609 3.089 20 0 JGADMO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164926261 721835783 /nfs/dbraw/zinc/83/57/83/721835783.db2.gz RGVLEJTWFIAXRP-CUNXSJBXSA-N 1 1 471.609 3.089 20 0 JGADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC001165021435 721838165 /nfs/dbraw/zinc/83/81/65/721838165.db2.gz MWHHHYAABXOUQP-UHFFFAOYSA-N 1 1 468.932 3.497 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CCC(c4nc(-c5ccc(S(C)(=O)=O)cc5)no4)CC3)c2)CC1 ZINC001165033233 721876884 /nfs/dbraw/zinc/87/68/84/721876884.db2.gz NUGQHZOXDOPQOH-UHFFFAOYSA-N 1 1 497.621 3.392 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933918 721879967 /nfs/dbraw/zinc/87/99/67/721879967.db2.gz OSTFUGBGNZBYRB-UXHICEINSA-N 1 1 454.688 3.381 20 0 JGADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933918 721879968 /nfs/dbraw/zinc/87/99/68/721879968.db2.gz OSTFUGBGNZBYRB-UXHICEINSA-N 1 1 454.688 3.381 20 0 JGADMO Cn1ccc(CN2CCOCC23CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)n1 ZINC001164934114 721903964 /nfs/dbraw/zinc/90/39/64/721903964.db2.gz WAPYUOPXTRNWPM-UHFFFAOYSA-N 1 1 472.637 3.245 20 0 JGADMO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165042691 721924734 /nfs/dbraw/zinc/92/47/34/721924734.db2.gz FTZCXJYLIPMOSY-GOSISDBHSA-N 1 1 454.905 3.435 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)cc2C1 ZINC001164938601 721931279 /nfs/dbraw/zinc/93/12/79/721931279.db2.gz AHQOOMGHZDKLOQ-UHFFFAOYSA-N 1 1 465.598 3.171 20 0 JGADMO Cc1ccc(CN2CCOC3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC3)C2)cc1 ZINC001164939048 721932479 /nfs/dbraw/zinc/93/24/79/721932479.db2.gz HXCJOVANPVBCEB-UHFFFAOYSA-N 1 1 451.615 3.035 20 0 JGADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164945203 721941477 /nfs/dbraw/zinc/94/14/77/721941477.db2.gz TWWJDQWMXCGKSR-CLJLJLNGSA-N 1 1 459.594 3.334 20 0 JGADMO COc1cc2c(cc1Cl)ncnc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945914 721974225 /nfs/dbraw/zinc/97/42/25/721974225.db2.gz HBJKHFGCEJLPJR-UHFFFAOYSA-N 1 1 451.958 3.263 20 0 JGADMO COc1cc2c(cc1Cl)ncnc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945914 721974228 /nfs/dbraw/zinc/97/42/28/721974228.db2.gz HBJKHFGCEJLPJR-UHFFFAOYSA-N 1 1 451.958 3.263 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@H]5CN(S(C)(=O)=O)C[C@@H]54)c23)C1 ZINC001164953907 721985012 /nfs/dbraw/zinc/98/50/12/721985012.db2.gz SMTUCNMFXWZICR-AOIWGVFYSA-N 1 1 489.711 3.272 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)[C@@H]2C1 ZINC001164949804 721985193 /nfs/dbraw/zinc/98/51/93/721985193.db2.gz QIROPGZQBLUNTI-IEBWSBKVSA-N 1 1 489.711 3.416 20 0 JGADMO COC(=O)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C1CCCC1 ZINC001165048165 721988217 /nfs/dbraw/zinc/98/82/17/721988217.db2.gz KPGHGZMUTQELEB-GOSISDBHSA-N 1 1 460.619 3.193 20 0 JGADMO COC(=O)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C1CCCC1 ZINC001165048165 721988218 /nfs/dbraw/zinc/98/82/18/721988218.db2.gz KPGHGZMUTQELEB-GOSISDBHSA-N 1 1 460.619 3.193 20 0 JGADMO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164956230 722022503 /nfs/dbraw/zinc/02/25/03/722022503.db2.gz ZKURMOPGRFIVHD-HXUWFJFHSA-N 1 1 457.644 3.436 20 0 JGADMO CCOC(=O)c1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1C(=O)OCC ZINC001164961418 722025024 /nfs/dbraw/zinc/02/50/24/722025024.db2.gz NTNYQAOQFKFIAT-UHFFFAOYSA-N 1 1 452.555 3.323 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3COC[C@H]32)n1 ZINC001164958821 722037344 /nfs/dbraw/zinc/03/73/44/722037344.db2.gz DMEBVOCNMMYDJN-CMKODMSKSA-N 1 1 482.654 3.122 20 0 JGADMO FC(F)(COc1ccc(Cl)nn1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959997 722059714 /nfs/dbraw/zinc/05/97/14/722059714.db2.gz CBXSMCGPSFVHMU-UHFFFAOYSA-N 1 1 453.921 3.111 20 0 JGADMO C(c1nc2sc3c(c2c(N2C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C2)O4)n1)CCC3)N1CCCCC1 ZINC001164967752 722075380 /nfs/dbraw/zinc/07/53/80/722075380.db2.gz UYSGLDFWEVTVBH-KDURUIRLSA-N 1 1 453.656 3.465 20 0 JGADMO C(c1nc2sc3c(c2c(N2C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C2)O4)n1)CCCC3)N1CCCC1 ZINC001164966564 722075678 /nfs/dbraw/zinc/07/56/78/722075678.db2.gz BJVFWXMPWVBQII-KDURUIRLSA-N 1 1 453.656 3.465 20 0 JGADMO CC(=O)N1CCC[C@]2(C1)CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164969982 722083966 /nfs/dbraw/zinc/08/39/66/722083966.db2.gz SSLCDLLQJJNPIG-VWLOTQADSA-N 1 1 469.655 3.384 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)n1 ZINC001164979361 722093316 /nfs/dbraw/zinc/09/33/16/722093316.db2.gz JTOJBUYNSFPDKX-WAOWUJCRSA-N 1 1 497.669 3.050 20 0 JGADMO Cn1cc(N2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2=O)cn1 ZINC001164978712 722095614 /nfs/dbraw/zinc/09/56/14/722095614.db2.gz JDWAXCBPDDUSGK-PXNSSMCTSA-N 1 1 491.665 3.389 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CN(c5cnn(C)c5)C(=O)[C@@H]4C3)c2c1C ZINC001164982448 722095637 /nfs/dbraw/zinc/09/56/37/722095637.db2.gz RGKBMCYFNPMQLU-IEBWSBKVSA-N 1 1 465.627 3.127 20 0 JGADMO Cn1cc(N2C[C@@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]3C2=O)cn1 ZINC001164984445 722096017 /nfs/dbraw/zinc/09/60/17/722096017.db2.gz WDRTWZQTNSTYIO-PKOBYXMFSA-N 1 1 473.606 3.253 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981647 722100115 /nfs/dbraw/zinc/10/01/15/722100115.db2.gz LUSSAUHRWQWPBW-UNMCSNQZSA-N 1 1 486.576 3.182 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164974909 722110029 /nfs/dbraw/zinc/11/00/29/722110029.db2.gz IVLYOWXKKPPIKS-HTAPYJJXSA-N 1 1 469.973 3.423 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983156 722113308 /nfs/dbraw/zinc/11/33/08/722113308.db2.gz YKAQGVYVQJBOAW-WMZOPIPTSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978389 722119133 /nfs/dbraw/zinc/11/91/33/722119133.db2.gz ONIZIOFMVHXTIR-NQIIRXRSSA-N 1 1 467.957 3.192 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980407 722127271 /nfs/dbraw/zinc/12/72/71/722127271.db2.gz QZDAANSHFXQZNL-REWPJTCUSA-N 1 1 463.582 3.479 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2[nH]cnc21 ZINC001164978044 722137827 /nfs/dbraw/zinc/13/78/27/722137827.db2.gz JIKWZGMPMILFLL-QUCCMNQESA-N 1 1 479.585 3.427 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1)C1CC1 ZINC001164976993 722137930 /nfs/dbraw/zinc/13/79/30/722137930.db2.gz HMTABNCLNUXICZ-KMDXXIMOSA-N 1 1 450.583 3.261 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164980319 722142293 /nfs/dbraw/zinc/14/22/93/722142293.db2.gz MTBJYWWUORWHFM-PXDATVDWSA-N 1 1 459.550 3.037 20 0 JGADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983818 722146227 /nfs/dbraw/zinc/14/62/27/722146227.db2.gz VJPXHQKCMRKGSP-WWMYMODYSA-N 1 1 471.911 3.058 20 0 JGADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975176 722150906 /nfs/dbraw/zinc/15/09/06/722150906.db2.gz FHRDLSJOWVMAHQ-MSOLQXFVSA-N 1 1 476.915 3.452 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974692 722156991 /nfs/dbraw/zinc/15/69/91/722156991.db2.gz OWXSLYFIWDPABK-MJGOQNOKSA-N 1 1 481.931 3.494 20 0 JGADMO Cc1nc(CN2CCO[C@H]3CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC[C@H]32)cs1 ZINC001164991735 722186317 /nfs/dbraw/zinc/18/63/17/722186317.db2.gz UPAHVSWPZLVOBG-PKTZIBPZSA-N 1 1 457.644 3.189 20 0 JGADMO CC(C)NC(=O)c1ccc2c(c1)C1(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC1)C(=O)N2 ZINC001164992087 722187939 /nfs/dbraw/zinc/18/79/39/722187939.db2.gz VIAFFXOCJSCQAG-UHFFFAOYSA-N 1 1 477.609 3.183 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4c(CNC(=O)C(C)C)nnc4C3)c2c1C ZINC001164988304 722190398 /nfs/dbraw/zinc/19/03/98/722190398.db2.gz FZYZHJHLZQSXCQ-UHFFFAOYSA-N 1 1 482.658 3.178 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994806 722203399 /nfs/dbraw/zinc/20/33/99/722203399.db2.gz IHSUYBGSJNNOOS-QHCPKHFHSA-N 1 1 472.952 3.427 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4C[C@@H](C(=O)NC(C)C)C[C@@H]43)c2c1C ZINC001164995102 722216220 /nfs/dbraw/zinc/21/62/20/722216220.db2.gz GPQTWFNHBCCMMB-GBESFXJTSA-N 1 1 457.644 3.412 20 0 JGADMO COCCO[C@H]1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]1Cc1cnn(C)c1 ZINC001164997433 722222951 /nfs/dbraw/zinc/22/29/51/722222951.db2.gz DPAIJLPBHLHSGJ-FTJBHMTQSA-N 1 1 461.610 3.226 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)c(-c4ccncc4)c2)CC3)CC1 ZINC001165002797 722239009 /nfs/dbraw/zinc/23/90/09/722239009.db2.gz ZDFBGKNMODQPSU-UHFFFAOYSA-N 1 1 485.970 3.489 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165003125 722241873 /nfs/dbraw/zinc/24/18/73/722241873.db2.gz IIEUEXJZVSCYQB-NFBKMPQASA-N 1 1 474.613 3.072 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@H]3C2)n1 ZINC001165003022 722244260 /nfs/dbraw/zinc/24/42/60/722244260.db2.gz HDDTYFPMJCJMBS-FPOVZHCZSA-N 1 1 496.681 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305795540 1069314717 /nfs/dbraw/zinc/31/47/17/1069314717.db2.gz QBOBXUUHRDTVOG-FCEUIQTBSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(Nc2cnn(C)c2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001305800829 1069322593 /nfs/dbraw/zinc/32/25/93/1069322593.db2.gz NCJVVKLVGKDHQI-IBGZPJMESA-N 1 1 454.579 3.494 20 0 JGADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC001305801879 1069324688 /nfs/dbraw/zinc/32/46/88/1069324688.db2.gz AQAVOHLEOBLZDJ-SIKLNZKXSA-N 1 1 468.646 3.257 20 0 JGADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)Oc1ccccc1F ZINC001305802336 1069325766 /nfs/dbraw/zinc/32/57/66/1069325766.db2.gz CYZLIIWIZMVFPL-CEXWTWQISA-N 1 1 458.582 3.086 20 0 JGADMO CC[C@H](Cn1c(C(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305803828 1069328234 /nfs/dbraw/zinc/32/82/34/1069328234.db2.gz CXMDFKBPRCJIDO-GOSISDBHSA-N 1 1 452.644 3.252 20 0 JGADMO CC[C@H](Cn1c(C(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305803828 1069328249 /nfs/dbraw/zinc/32/82/49/1069328249.db2.gz CXMDFKBPRCJIDO-GOSISDBHSA-N 1 1 452.644 3.252 20 0 JGADMO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001305808172 1069337380 /nfs/dbraw/zinc/33/73/80/1069337380.db2.gz JFYSTTGWZWGPLC-PMACEKPBSA-N 1 1 476.691 3.393 20 0 JGADMO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305825684 1069364266 /nfs/dbraw/zinc/36/42/66/1069364266.db2.gz BPVGDUTVRDMFEK-LEWJYISDSA-N 1 1 499.660 3.110 20 0 JGADMO CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)OC ZINC001305826174 1069365871 /nfs/dbraw/zinc/36/58/71/1069365871.db2.gz XTYHRWBRNFIRJW-LJQANCHMSA-N 1 1 454.619 3.409 20 0 JGADMO CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)OC ZINC001305826174 1069365885 /nfs/dbraw/zinc/36/58/85/1069365885.db2.gz XTYHRWBRNFIRJW-LJQANCHMSA-N 1 1 454.619 3.409 20 0 JGADMO CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1ccccc1F ZINC001305828420 1069368942 /nfs/dbraw/zinc/36/89/42/1069368942.db2.gz JOTKYOKAVKOMFV-UYAOXDASSA-N 1 1 458.582 3.146 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305831895 1069372866 /nfs/dbraw/zinc/37/28/66/1069372866.db2.gz GMSPQKOGJUAOSA-FCGDIQPGSA-N 1 1 450.628 3.004 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305834662 1069376285 /nfs/dbraw/zinc/37/62/85/1069376285.db2.gz PZKDBMXUKIEKOY-OHUGHZGNSA-N 1 1 492.665 3.124 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001305837844 1069381619 /nfs/dbraw/zinc/38/16/19/1069381619.db2.gz PLARLYJEWUQQOG-MLDBQTBOSA-N 1 1 489.686 3.095 20 0 JGADMO CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001305848281 1069398555 /nfs/dbraw/zinc/39/85/55/1069398555.db2.gz XTXJFTPSMWSXBI-GOTSBHOMSA-N 1 1 498.672 3.278 20 0 JGADMO CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001305848281 1069398572 /nfs/dbraw/zinc/39/85/72/1069398572.db2.gz XTXJFTPSMWSXBI-GOTSBHOMSA-N 1 1 498.672 3.278 20 0 JGADMO CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001305848280 1069398631 /nfs/dbraw/zinc/39/86/31/1069398631.db2.gz XTXJFTPSMWSXBI-DHIUTWEWSA-N 1 1 498.672 3.278 20 0 JGADMO CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001305848280 1069398640 /nfs/dbraw/zinc/39/86/40/1069398640.db2.gz XTXJFTPSMWSXBI-DHIUTWEWSA-N 1 1 498.672 3.278 20 0 JGADMO CC[C@]1(C)CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)O1 ZINC001305863399 1069420207 /nfs/dbraw/zinc/42/02/07/1069420207.db2.gz ZSVQIMYUYSGCOS-ATIYNZHBSA-N 1 1 470.662 3.406 20 0 JGADMO CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)O1 ZINC001305863400 1069420238 /nfs/dbraw/zinc/42/02/38/1069420238.db2.gz ZSVQIMYUYSGCOS-BKMJKUGQSA-N 1 1 470.662 3.406 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001305875333 1069428994 /nfs/dbraw/zinc/42/89/94/1069428994.db2.gz PXZCOOAIZGNXTJ-ZRCGQRJVSA-N 1 1 451.681 3.461 20 0 JGADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001305881187 1069434220 /nfs/dbraw/zinc/43/42/20/1069434220.db2.gz JRSNUBCJEKWQOD-WNCULLNHSA-N 1 1 498.672 3.389 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305887870 1069444779 /nfs/dbraw/zinc/44/47/79/1069444779.db2.gz RRZCDHSXNFKZTQ-UNVFRBQDSA-N 1 1 487.645 3.467 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001305893920 1069451839 /nfs/dbraw/zinc/45/18/39/1069451839.db2.gz RGCMXJLSJMKDJC-KRWDZBQOSA-N 1 1 480.704 3.025 20 0 JGADMO CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCC1 ZINC001305898135 1069455435 /nfs/dbraw/zinc/45/54/35/1069455435.db2.gz DULIIROKFNEALB-UHFFFAOYSA-N 1 1 455.607 3.053 20 0 JGADMO CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCC1 ZINC001305898135 1069455437 /nfs/dbraw/zinc/45/54/37/1069455437.db2.gz DULIIROKFNEALB-UHFFFAOYSA-N 1 1 455.607 3.053 20 0 JGADMO CCc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001305915821 1069470330 /nfs/dbraw/zinc/47/03/30/1069470330.db2.gz APCCDFZYDPPLFT-SFTDATJTSA-N 1 1 459.660 3.251 20 0 JGADMO CCc1ccc([C@H](Cn2c(N(CC)[C@H]3CCS(=O)(=O)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001305917561 1069472529 /nfs/dbraw/zinc/47/25/29/1069472529.db2.gz ALHYIBNAEOUITC-SFTDATJTSA-N 1 1 461.676 3.454 20 0 JGADMO CCc1ccc([C@H](Cn2c(CC(C)C)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC001305918334 1069473140 /nfs/dbraw/zinc/47/31/40/1069473140.db2.gz LSYIOSWGHHNRJL-VXKWHMMOSA-N 1 1 461.676 3.355 20 0 JGADMO CCc1ccc([C@H](Cn2c(CC(C)C)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC001305918335 1069473144 /nfs/dbraw/zinc/47/31/44/1069473144.db2.gz LSYIOSWGHHNRJL-YADHBBJMSA-N 1 1 461.676 3.355 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC001305919694 1069475327 /nfs/dbraw/zinc/47/53/27/1069475327.db2.gz PUIQGJSJFJYIBT-UDKICSLYSA-N 1 1 459.660 3.138 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cn(C)c3ccccc23)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298208690 1064126169 /nfs/dbraw/zinc/12/61/69/1064126169.db2.gz PCFGZMSNOATCSF-HXUWFJFHSA-N 1 1 495.672 3.025 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cn(C)c3ccccc23)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298208689 1064126185 /nfs/dbraw/zinc/12/61/85/1064126185.db2.gz PCFGZMSNOATCSF-FQEVSTJZSA-N 1 1 495.672 3.025 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cnccn2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001298208680 1064126257 /nfs/dbraw/zinc/12/62/57/1064126257.db2.gz OWTWWTVQYAMHFT-QFIPXVFZSA-N 1 1 490.656 3.388 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](C)C1CCCC1 ZINC001298218183 1064132112 /nfs/dbraw/zinc/13/21/12/1064132112.db2.gz JEVOWACRNGXFRE-TZIWHRDSSA-N 1 1 462.683 3.422 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC=CO1 ZINC001298235751 1064141364 /nfs/dbraw/zinc/14/13/64/1064141364.db2.gz JYENRJRWUJTOEL-IBGZPJMESA-N 1 1 461.010 3.481 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001298235539 1064141516 /nfs/dbraw/zinc/14/15/16/1064141516.db2.gz HZGRUSICGLJDFG-UHFFFAOYSA-N 1 1 499.660 3.002 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1Cc1cc(F)ccc1F ZINC001298239538 1064144044 /nfs/dbraw/zinc/14/40/44/1064144044.db2.gz IKGBNRZUWXXELH-SFHVURJKSA-N 1 1 463.573 3.293 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC=CO1 ZINC001298239804 1064144580 /nfs/dbraw/zinc/14/45/80/1064144580.db2.gz KSCQTEQDZBTEHA-OAQYLSRUSA-N 1 1 457.594 3.495 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)cc1 ZINC001298240259 1064145523 /nfs/dbraw/zinc/14/55/23/1064145523.db2.gz PHISJXWYUBHJJO-OAQYLSRUSA-N 1 1 459.610 3.349 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298275021 1064165788 /nfs/dbraw/zinc/16/57/88/1064165788.db2.gz QSCXQEAMIYIGNF-SFHVURJKSA-N 1 1 478.435 3.292 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001298275021 1064165793 /nfs/dbraw/zinc/16/57/93/1064165793.db2.gz QSCXQEAMIYIGNF-SFHVURJKSA-N 1 1 478.435 3.292 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(-c2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298279985 1064167108 /nfs/dbraw/zinc/16/71/08/1064167108.db2.gz DNRCGELHDOKPSO-UHFFFAOYSA-N 1 1 488.434 3.358 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298279985 1064167113 /nfs/dbraw/zinc/16/71/13/1064167113.db2.gz DNRCGELHDOKPSO-UHFFFAOYSA-N 1 1 488.434 3.358 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(-c2cccnc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298279985 1064167116 /nfs/dbraw/zinc/16/71/16/1064167116.db2.gz DNRCGELHDOKPSO-UHFFFAOYSA-N 1 1 488.434 3.358 20 0 JGADMO CN(Cc1ccc(C(N)=O)cc1)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001298289340 1064174884 /nfs/dbraw/zinc/17/48/84/1064174884.db2.gz IUQCJCVJWCCLOF-UHFFFAOYSA-N 1 1 464.618 3.069 20 0 JGADMO CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCOC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298295646 1064179857 /nfs/dbraw/zinc/17/98/57/1064179857.db2.gz PMIITCWLQFPIEG-IAGOWNOFSA-N 1 1 454.040 3.370 20 0 JGADMO CN(Cc1ccc(Cl)s1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298296109 1064180501 /nfs/dbraw/zinc/18/05/01/1064180501.db2.gz WFYMGCLHDRCKFH-UHFFFAOYSA-N 1 1 450.012 3.141 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298305515 1064185533 /nfs/dbraw/zinc/18/55/33/1064185533.db2.gz SQRAFXLZRARSME-HXUWFJFHSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(CC2CCCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298321007 1064196781 /nfs/dbraw/zinc/19/67/81/1064196781.db2.gz BJOFLZIYYZLJDU-UMSFTDKQSA-N 1 1 486.730 3.411 20 0 JGADMO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298321007 1064196785 /nfs/dbraw/zinc/19/67/85/1064196785.db2.gz BJOFLZIYYZLJDU-UMSFTDKQSA-N 1 1 486.730 3.411 20 0 JGADMO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(CC2CCCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298321007 1064196791 /nfs/dbraw/zinc/19/67/91/1064196791.db2.gz BJOFLZIYYZLJDU-UMSFTDKQSA-N 1 1 486.730 3.411 20 0 JGADMO CN(Cc1cccc(Br)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCC1 ZINC001298324908 1064200064 /nfs/dbraw/zinc/20/00/64/1064200064.db2.gz DJERHOHDZFRQPN-GOSISDBHSA-N 1 1 496.475 3.065 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298328940 1064204098 /nfs/dbraw/zinc/20/40/98/1064204098.db2.gz PYSMYVGYCKAIQE-AZUAARDMSA-N 1 1 467.536 3.284 20 0 JGADMO CN(Cc1cccc(F)c1)c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298341017 1064209579 /nfs/dbraw/zinc/20/95/79/1064209579.db2.gz YTCAIAUNSSEQDU-UHFFFAOYSA-N 1 1 499.660 3.071 20 0 JGADMO CN(Cc1cccc(F)c1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298341017 1064209584 /nfs/dbraw/zinc/20/95/84/1064209584.db2.gz YTCAIAUNSSEQDU-UHFFFAOYSA-N 1 1 499.660 3.071 20 0 JGADMO CN(Cc1cccc(F)c1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298341017 1064209590 /nfs/dbraw/zinc/20/95/90/1064209590.db2.gz YTCAIAUNSSEQDU-UHFFFAOYSA-N 1 1 499.660 3.071 20 0 JGADMO CN(Cc1cccc(OC(F)F)c1)c1nnc([C@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298341297 1064209919 /nfs/dbraw/zinc/20/99/19/1064209919.db2.gz GQMUEHOBMGZHNB-SFHVURJKSA-N 1 1 465.545 3.131 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)C1 ZINC001298350782 1064214421 /nfs/dbraw/zinc/21/44/21/1064214421.db2.gz LXVBJBPKJLWCGT-RBUKOAKNSA-N 1 1 485.576 3.233 20 0 JGADMO C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)CC1 ZINC001298351149 1064214683 /nfs/dbraw/zinc/21/46/83/1064214683.db2.gz RHZBRLLTPTXCSZ-UHFFFAOYSA-N 1 1 491.640 3.435 20 0 JGADMO C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001298351189 1064214714 /nfs/dbraw/zinc/21/47/14/1064214714.db2.gz SCTXQKISQSMNJK-UHFFFAOYSA-N 1 1 496.700 3.497 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)C1 ZINC001298351054 1064214833 /nfs/dbraw/zinc/21/48/33/1064214833.db2.gz QNDVUFBOVGUZRX-IBGZPJMESA-N 1 1 480.535 3.038 20 0 JGADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC001298378291 1064225368 /nfs/dbraw/zinc/22/53/68/1064225368.db2.gz XIZIYSVASVMQQB-REWPJTCUSA-N 1 1 455.624 3.239 20 0 JGADMO COc1cc(I)ccc1C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC001298378423 1064225724 /nfs/dbraw/zinc/22/57/24/1064225724.db2.gz IWPIFFIOTWOHLO-MRXNPFEDSA-N 1 1 452.292 3.119 20 0 JGADMO CN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001298390684 1064229506 /nfs/dbraw/zinc/22/95/06/1064229506.db2.gz NURDUFPJEWNJNR-KDURUIRLSA-N 1 1 490.674 3.469 20 0 JGADMO C[C@H](Sc1nncn1C)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298396253 1064232241 /nfs/dbraw/zinc/23/22/41/1064232241.db2.gz OUACNHJGUYZGMM-UGKGYDQZSA-N 1 1 450.612 3.384 20 0 JGADMO NC(=O)c1ccccc1NCC(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298397472 1064232622 /nfs/dbraw/zinc/23/26/22/1064232622.db2.gz YDYSEESSFDYBDD-QHCPKHFHSA-N 1 1 457.578 3.286 20 0 JGADMO CN(Cc1cnccn1)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298406534 1064237641 /nfs/dbraw/zinc/23/76/41/1064237641.db2.gz GWUYNGMJYVYNHT-UHFFFAOYSA-N 1 1 486.418 3.245 20 0 JGADMO CN(Cc1cscn1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298432752 1064249795 /nfs/dbraw/zinc/24/97/95/1064249795.db2.gz OUGQIHYJVGLZMQ-UHFFFAOYSA-N 1 1 494.463 3.250 20 0 JGADMO CN(Cc1cscn1)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001298432752 1064249802 /nfs/dbraw/zinc/24/98/02/1064249802.db2.gz OUGQIHYJVGLZMQ-UHFFFAOYSA-N 1 1 494.463 3.250 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccncc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298449085 1064256958 /nfs/dbraw/zinc/25/69/58/1064256958.db2.gz BLABLZJSWKXYIK-SFHVURJKSA-N 1 1 457.026 3.408 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(C2CCCC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298450321 1064257814 /nfs/dbraw/zinc/25/78/14/1064257814.db2.gz FRUQWFPIBDCDBG-SFHVURJKSA-N 1 1 450.031 3.196 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccc(F)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298452499 1064259597 /nfs/dbraw/zinc/25/95/97/1064259597.db2.gz UXXRYWZLRPOUHN-UHFFFAOYSA-N 1 1 476.000 3.142 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298452499 1064259603 /nfs/dbraw/zinc/25/96/03/1064259603.db2.gz UXXRYWZLRPOUHN-UHFFFAOYSA-N 1 1 476.000 3.142 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001298463385 1064265519 /nfs/dbraw/zinc/26/55/19/1064265519.db2.gz WSZJZUOGKRJGJU-YJBOKZPZSA-N 1 1 494.978 3.231 20 0 JGADMO CN(Cc1cnn(-c2ccccc2)n1)c1nnc(C(C)(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298465874 1064266809 /nfs/dbraw/zinc/26/68/09/1064266809.db2.gz PETXVUZYXAUAQI-JOCHJYFZSA-N 1 1 466.634 3.030 20 0 JGADMO CN(CC1CC(F)C1)c1nnc(COc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298488715 1064277231 /nfs/dbraw/zinc/27/72/31/1064277231.db2.gz FAXYQQJOKHNCSX-UHFFFAOYSA-N 1 1 462.589 3.207 20 0 JGADMO CN(CC1CC1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298490879 1064278028 /nfs/dbraw/zinc/27/80/28/1064278028.db2.gz NTCSOYGGHPDVCG-UHFFFAOYSA-N 1 1 451.413 3.003 20 0 JGADMO CN(CC1CC1)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298490879 1064278032 /nfs/dbraw/zinc/27/80/32/1064278032.db2.gz NTCSOYGGHPDVCG-UHFFFAOYSA-N 1 1 451.413 3.003 20 0 JGADMO CN(C[C@H]1CC=CCC1)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298508215 1064283852 /nfs/dbraw/zinc/28/38/52/1064283852.db2.gz ALUYHGOFTJQTGI-IBGZPJMESA-N 1 1 472.659 3.173 20 0 JGADMO CN(CC1CCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCSCC1 ZINC001298510684 1064285499 /nfs/dbraw/zinc/28/54/99/1064285499.db2.gz XMOORUAARKGRES-UHFFFAOYSA-N 1 1 463.051 3.147 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298547936 1064311074 /nfs/dbraw/zinc/31/10/74/1064311074.db2.gz XOKMBVWQEOSMFD-YPAWHYETSA-N 1 1 476.710 3.228 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298547936 1064311094 /nfs/dbraw/zinc/31/10/94/1064311094.db2.gz XOKMBVWQEOSMFD-YPAWHYETSA-N 1 1 476.710 3.228 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298547936 1064311107 /nfs/dbraw/zinc/31/11/07/1064311107.db2.gz XOKMBVWQEOSMFD-YPAWHYETSA-N 1 1 476.710 3.228 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298553335 1064318990 /nfs/dbraw/zinc/31/89/90/1064318990.db2.gz AOFXULYJFJWLEL-QGZVFWFLSA-N 1 1 495.466 3.020 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298559340 1064324477 /nfs/dbraw/zinc/32/44/77/1064324477.db2.gz CYMYMHWTPSVXEW-BHDDXSALSA-N 1 1 476.710 3.086 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298559340 1064324502 /nfs/dbraw/zinc/32/45/02/1064324502.db2.gz CYMYMHWTPSVXEW-BHDDXSALSA-N 1 1 476.710 3.086 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298559340 1064324518 /nfs/dbraw/zinc/32/45/18/1064324518.db2.gz CYMYMHWTPSVXEW-BHDDXSALSA-N 1 1 476.710 3.086 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC(F)(F)F ZINC001298565270 1064334506 /nfs/dbraw/zinc/33/45/06/1064334506.db2.gz BINDLXMCQQTOET-UXHICEINSA-N 1 1 494.562 3.157 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)F ZINC001298565769 1064335987 /nfs/dbraw/zinc/33/59/87/1064335987.db2.gz BYNVFPRLPIAYEZ-SFHVURJKSA-N 1 1 450.509 3.035 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(CC2CC2)n1CCC(=O)NC(C)(C)C ZINC001298566352 1064336548 /nfs/dbraw/zinc/33/65/48/1064336548.db2.gz FKNLSTDRNOEENG-JOCHJYFZSA-N 1 1 452.647 3.494 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCC(=O)N2)n1CCOC(C)(C)C ZINC001298567979 1064340397 /nfs/dbraw/zinc/34/03/97/1064340397.db2.gz PABPUSOFGDEIPB-LEWJYISDSA-N 1 1 454.619 3.003 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(CC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 ZINC001298568289 1064340968 /nfs/dbraw/zinc/34/09/68/1064340968.db2.gz SUIMYYYSJKQNAK-QFIPXVFZSA-N 1 1 475.641 3.367 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2cccc(Br)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298570333 1064344763 /nfs/dbraw/zinc/34/47/63/1064344763.db2.gz HKCNAHWDOWCXGR-WIYYLYMNSA-N 1 1 492.462 3.417 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(CCCc2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298589167 1064363569 /nfs/dbraw/zinc/36/35/69/1064363569.db2.gz VLSLELBBICEYCI-UHFFFAOYSA-N 1 1 498.716 3.315 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(CCCc2ccccc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298589167 1064363584 /nfs/dbraw/zinc/36/35/84/1064363584.db2.gz VLSLELBBICEYCI-UHFFFAOYSA-N 1 1 498.716 3.315 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298589167 1064363598 /nfs/dbraw/zinc/36/35/98/1064363598.db2.gz VLSLELBBICEYCI-UHFFFAOYSA-N 1 1 498.716 3.315 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@@H+]1CCOCC1(C)C ZINC001298593862 1064368827 /nfs/dbraw/zinc/36/88/27/1064368827.db2.gz TZHPZSNWRVSBAI-UHFFFAOYSA-N 1 1 469.508 3.216 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@H+]1CCOCC1(C)C ZINC001298593862 1064368833 /nfs/dbraw/zinc/36/88/33/1064368833.db2.gz TZHPZSNWRVSBAI-UHFFFAOYSA-N 1 1 469.508 3.216 20 0 JGADMO CN(CCC(F)F)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCSCC1 ZINC001298601714 1064376694 /nfs/dbraw/zinc/37/66/94/1064376694.db2.gz NMGSHRZJVHBQMJ-UHFFFAOYSA-N 1 1 472.993 3.002 20 0 JGADMO CN(CCc1ccc(Cl)cc1)c1nnc([C@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298615045 1064387278 /nfs/dbraw/zinc/38/72/78/1064387278.db2.gz ROWFHGYPBOPZJD-OAQYLSRUSA-N 1 1 461.054 3.488 20 0 JGADMO CN(CCc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298619834 1064391067 /nfs/dbraw/zinc/39/10/67/1064391067.db2.gz ZTJNPLNTNGRCEY-HXUWFJFHSA-N 1 1 477.650 3.263 20 0 JGADMO C[N@@H+](CCCn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CCCCC1 ZINC001298666750 1064444397 /nfs/dbraw/zinc/44/43/97/1064444397.db2.gz JYPOYMIYWYWWDI-SFHVURJKSA-N 1 1 493.578 3.500 20 0 JGADMO C[N@@H+](CCCn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CCCCC1 ZINC001298670056 1064452452 /nfs/dbraw/zinc/45/24/52/1064452452.db2.gz PFYXMJXXNBOQJF-UHFFFAOYSA-N 1 1 460.648 3.008 20 0 JGADMO C[N@@H+](CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC001298672949 1064457161 /nfs/dbraw/zinc/45/71/61/1064457161.db2.gz ZXBJVSUCABDPMF-OAQYLSRUSA-N 1 1 480.579 3.379 20 0 JGADMO C[N@@H+](CCCn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)CC1)C1CCCCC1 ZINC001298674608 1064460968 /nfs/dbraw/zinc/46/09/68/1064460968.db2.gz RCKURVBARCLNMX-UHFFFAOYSA-N 1 1 465.614 3.370 20 0 JGADMO C[N@@H+](CCCn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298674688 1064461009 /nfs/dbraw/zinc/46/10/09/1064461009.db2.gz TVBCQPUUMRZJEJ-QHCPKHFHSA-N 1 1 488.702 3.322 20 0 JGADMO CN(c1nnc(CCc2ccccc2)n1CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001298675267 1064462630 /nfs/dbraw/zinc/46/26/30/1064462630.db2.gz FCBRSLDGCMEGLS-HSZRJFAPSA-N 1 1 473.687 3.341 20 0 JGADMO C[N@@H+](CCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298679153 1064469275 /nfs/dbraw/zinc/46/92/75/1064469275.db2.gz KKAMTJMWLSJMNI-DEOSSOPVSA-N 1 1 459.660 3.113 20 0 JGADMO C[N@@H+](CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001298679646 1064469936 /nfs/dbraw/zinc/46/99/36/1064469936.db2.gz NRJWWRYMTXHBMV-SFHVURJKSA-N 1 1 475.037 3.477 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001298689999 1064486760 /nfs/dbraw/zinc/48/67/60/1064486760.db2.gz ITFSIGNKRJHQFO-FQEVSTJZSA-N 1 1 457.600 3.246 20 0 JGADMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001298698347 1064500992 /nfs/dbraw/zinc/50/09/92/1064500992.db2.gz DSIHAVGWYYBILY-KIFXHHALSA-N 1 1 471.642 3.424 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298705633 1064511058 /nfs/dbraw/zinc/51/10/58/1064511058.db2.gz IKFRJYDTQBGZRG-NBGIEHNGSA-N 1 1 472.609 3.142 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)C1CCCC1 ZINC001298706038 1064511838 /nfs/dbraw/zinc/51/18/38/1064511838.db2.gz OUDHFERPVIZZID-QGZVFWFLSA-N 1 1 453.513 3.157 20 0 JGADMO CN(CCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001298713819 1064521671 /nfs/dbraw/zinc/52/16/71/1064521671.db2.gz WMPAAANFJYRQSZ-UHFFFAOYSA-N 1 1 487.574 3.470 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298713964 1064523146 /nfs/dbraw/zinc/52/31/46/1064523146.db2.gz ISWAFMDYYQJCMB-FQEVSTJZSA-N 1 1 488.608 3.110 20 0 JGADMO C[N@@H+](CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298719808 1064530619 /nfs/dbraw/zinc/53/06/19/1064530619.db2.gz QDCKPWOUQGMXJC-FQEVSTJZSA-N 1 1 493.649 3.274 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)cc1Cl ZINC001298727280 1064536283 /nfs/dbraw/zinc/53/62/83/1064536283.db2.gz DNXYIRUIZUHUBA-UHFFFAOYSA-N 1 1 476.000 3.261 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)cc1Cl ZINC001298727280 1064536299 /nfs/dbraw/zinc/53/62/99/1064536299.db2.gz DNXYIRUIZUHUBA-UHFFFAOYSA-N 1 1 476.000 3.261 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(F)CCC1 ZINC001298727514 1064537381 /nfs/dbraw/zinc/53/73/81/1064537381.db2.gz FPPWDDMBQZRXQI-UHFFFAOYSA-N 1 1 493.649 3.178 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(F)CCC1 ZINC001298727514 1064537395 /nfs/dbraw/zinc/53/73/95/1064537395.db2.gz FPPWDDMBQZRXQI-UHFFFAOYSA-N 1 1 493.649 3.178 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1cccc(Cn2cccn2)c1 ZINC001298727517 1064537487 /nfs/dbraw/zinc/53/74/87/1064537487.db2.gz FRARCWXAWNDDBR-UHFFFAOYSA-N 1 1 465.646 3.416 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1cccc(Cn2cccn2)c1 ZINC001298727517 1064537500 /nfs/dbraw/zinc/53/75/00/1064537500.db2.gz FRARCWXAWNDDBR-UHFFFAOYSA-N 1 1 465.646 3.416 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccsc1 ZINC001298727846 1064538177 /nfs/dbraw/zinc/53/81/77/1064538177.db2.gz JQDONOCZWQGQHM-UHFFFAOYSA-N 1 1 489.667 3.005 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccsc1 ZINC001298727846 1064538192 /nfs/dbraw/zinc/53/81/92/1064538192.db2.gz JQDONOCZWQGQHM-UHFFFAOYSA-N 1 1 489.667 3.005 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001298728229 1064539994 /nfs/dbraw/zinc/53/99/94/1064539994.db2.gz NYJYQVUIRIUPFC-RUZDIDTESA-N 1 1 485.032 3.448 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001298728229 1064540005 /nfs/dbraw/zinc/54/00/05/1064540005.db2.gz NYJYQVUIRIUPFC-RUZDIDTESA-N 1 1 485.032 3.448 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1Cl ZINC001298728284 1064540233 /nfs/dbraw/zinc/54/02/33/1064540233.db2.gz OXTNCIKRRWFOJC-UHFFFAOYSA-N 1 1 498.031 3.369 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1Cl ZINC001298728284 1064540243 /nfs/dbraw/zinc/54/02/43/1064540243.db2.gz OXTNCIKRRWFOJC-UHFFFAOYSA-N 1 1 498.031 3.369 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1CCc1ccccc1OC(F)F ZINC001298728814 1064542801 /nfs/dbraw/zinc/54/28/01/1064542801.db2.gz AYYRDEBLYCNGRS-LJQANCHMSA-N 1 1 479.572 3.173 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1CCc1ccccc1OC(F)F ZINC001298728814 1064542816 /nfs/dbraw/zinc/54/28/16/1064542816.db2.gz AYYRDEBLYCNGRS-LJQANCHMSA-N 1 1 479.572 3.173 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCOC1 ZINC001298730040 1064544409 /nfs/dbraw/zinc/54/44/09/1064544409.db2.gz QARLRVZSUKQINR-GOSISDBHSA-N 1 1 463.573 3.121 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCOC1 ZINC001298730040 1064544418 /nfs/dbraw/zinc/54/44/18/1064544418.db2.gz QARLRVZSUKQINR-GOSISDBHSA-N 1 1 463.573 3.121 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCOC1 ZINC001298730041 1064545131 /nfs/dbraw/zinc/54/51/31/1064545131.db2.gz QARLRVZSUKQINR-SFHVURJKSA-N 1 1 463.573 3.121 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCOC1 ZINC001298730041 1064545150 /nfs/dbraw/zinc/54/51/50/1064545150.db2.gz QARLRVZSUKQINR-SFHVURJKSA-N 1 1 463.573 3.121 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccccc2F)n1Cc1nccn1C(F)F ZINC001298732606 1064547462 /nfs/dbraw/zinc/54/74/62/1064547462.db2.gz BWZXASCIAPWSBF-UHFFFAOYSA-N 1 1 493.534 3.183 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccccc2F)n1Cc1nccn1C(F)F ZINC001298732606 1064547477 /nfs/dbraw/zinc/54/74/77/1064547477.db2.gz BWZXASCIAPWSBF-UHFFFAOYSA-N 1 1 493.534 3.183 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC001298733732 1064548899 /nfs/dbraw/zinc/54/88/99/1064548899.db2.gz RNMMVHQRBDNHPC-HXUWFJFHSA-N 1 1 464.010 3.237 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC001298733732 1064548914 /nfs/dbraw/zinc/54/89/14/1064548914.db2.gz RNMMVHQRBDNHPC-HXUWFJFHSA-N 1 1 464.010 3.237 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@H](O)C1 ZINC001298734102 1064549582 /nfs/dbraw/zinc/54/95/82/1064549582.db2.gz YHDDCUBVCXZEOX-FPOVZHCZSA-N 1 1 475.609 3.094 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@H](O)C1 ZINC001298734102 1064549596 /nfs/dbraw/zinc/54/95/96/1064549596.db2.gz YHDDCUBVCXZEOX-FPOVZHCZSA-N 1 1 475.609 3.094 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)cn1 ZINC001298734139 1064549779 /nfs/dbraw/zinc/54/97/79/1064549779.db2.gz ZAPOQABTHASFGK-NHCUHLMSSA-N 1 1 474.625 3.326 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)cn1 ZINC001298734139 1064549795 /nfs/dbraw/zinc/54/97/95/1064549795.db2.gz ZAPOQABTHASFGK-NHCUHLMSSA-N 1 1 474.625 3.326 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298750257 1064561044 /nfs/dbraw/zinc/56/10/44/1064561044.db2.gz RSVHUCWZIGACEU-FGZHOGPDSA-N 1 1 468.646 3.045 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001298753731 1064563161 /nfs/dbraw/zinc/56/31/61/1064563161.db2.gz UOINGHMQIPALFL-DHIUTWEWSA-N 1 1 471.646 3.038 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298761839 1064571244 /nfs/dbraw/zinc/57/12/44/1064571244.db2.gz XIWIOMQWVZITGG-SFHVURJKSA-N 1 1 464.010 3.061 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001298761839 1064571259 /nfs/dbraw/zinc/57/12/59/1064571259.db2.gz XIWIOMQWVZITGG-SFHVURJKSA-N 1 1 464.010 3.061 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2cnccn2)n1CCC(C)(F)F ZINC001298782014 1064586084 /nfs/dbraw/zinc/58/60/84/1064586084.db2.gz KEAICRPTXJBPKW-QFBILLFUSA-N 1 1 459.549 3.033 20 0 JGADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2)CC1 ZINC001298815679 1064617639 /nfs/dbraw/zinc/61/76/39/1064617639.db2.gz IBKYFDGKBYWSPP-SANMLTNESA-N 1 1 456.631 3.297 20 0 JGADMO C[NH+]1CCN([C@H](C(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c2ccccc2)CC1 ZINC001298815670 1064617675 /nfs/dbraw/zinc/61/76/75/1064617675.db2.gz HYGCFAHBIFGVQY-BKMJKUGQSA-N 1 1 456.631 3.225 20 0 JGADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C2 ZINC001298816001 1064618156 /nfs/dbraw/zinc/61/81/56/1064618156.db2.gz JUYCHZLXPQLCKF-GJZUVCINSA-N 1 1 457.615 3.434 20 0 JGADMO Cn1cc(C2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)CC2)cn1 ZINC001298824343 1064625212 /nfs/dbraw/zinc/62/52/12/1064625212.db2.gz LILWVKACCKGDSU-QFIPXVFZSA-N 1 1 457.667 3.221 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(-c4ccccc4)n3CCCOCC(F)F)CC2)cn1 ZINC001298828795 1064633952 /nfs/dbraw/zinc/63/39/52/1064633952.db2.gz XBEAUDKGFVKWTD-UHFFFAOYSA-N 1 1 459.545 3.063 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001298857810 1064660487 /nfs/dbraw/zinc/66/04/87/1064660487.db2.gz GZUJXVFXQZLWMP-UHFFFAOYSA-N 1 1 469.634 3.287 20 0 JGADMO CN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC001298877546 1064682456 /nfs/dbraw/zinc/68/24/56/1064682456.db2.gz GXOGYFVQNIWNSK-LJQANCHMSA-N 1 1 454.800 3.416 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298878111 1064683111 /nfs/dbraw/zinc/68/31/11/1064683111.db2.gz JLNNBSUQQSFNQE-HXUWFJFHSA-N 1 1 481.345 3.017 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298881198 1064687450 /nfs/dbraw/zinc/68/74/50/1064687450.db2.gz DAMUPVFQVJMHAM-ZHRRBRCNSA-N 1 1 484.428 3.093 20 0 JGADMO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298882148 1064688736 /nfs/dbraw/zinc/68/87/36/1064688736.db2.gz QIWQJHOHWNONPM-NQIIRXRSSA-N 1 1 453.509 3.242 20 0 JGADMO CN(Cc1ccccc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298885589 1064692104 /nfs/dbraw/zinc/69/21/04/1064692104.db2.gz KVUOQZIXCJJWPR-NBGIEHNGSA-N 1 1 470.618 3.053 20 0 JGADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(OC)c1 ZINC001298885495 1064692115 /nfs/dbraw/zinc/69/21/15/1064692115.db2.gz GBUMZBLAMDYELQ-YFXJRYMSSA-N 1 1 451.567 3.088 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886375 1064693930 /nfs/dbraw/zinc/69/39/30/1064693930.db2.gz GDCJGGVPRCMXLE-OAQYLSRUSA-N 1 1 489.064 3.080 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001298886195 1064694193 /nfs/dbraw/zinc/69/41/93/1064694193.db2.gz OHMGBMMGTUZGAR-IBGZPJMESA-N 1 1 476.572 3.369 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298886734 1064694984 /nfs/dbraw/zinc/69/49/84/1064694984.db2.gz RUKXTFLAUUULHL-PWAGRJGVSA-N 1 1 463.573 3.178 20 0 JGADMO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001298886912 1064695975 /nfs/dbraw/zinc/69/59/75/1064695975.db2.gz ISMQRWDWJQZKJB-MSOLQXFVSA-N 1 1 491.624 3.469 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001298886912 1064695982 /nfs/dbraw/zinc/69/59/82/1064695982.db2.gz ISMQRWDWJQZKJB-MSOLQXFVSA-N 1 1 491.624 3.469 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001298887446 1064696653 /nfs/dbraw/zinc/69/66/53/1064696653.db2.gz JXSARNBLCSSDDE-RBUKOAKNSA-N 1 1 465.689 3.064 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001298887895 1064697289 /nfs/dbraw/zinc/69/72/89/1064697289.db2.gz YJMXJHIEAMXFHL-GOSISDBHSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@@H]1[C@@H](NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001298888248 1064697865 /nfs/dbraw/zinc/69/78/65/1064697865.db2.gz NZHRJHODLXPSEX-KNOQFWTLSA-N 1 1 456.587 3.312 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC001298888913 1064698929 /nfs/dbraw/zinc/69/89/29/1064698929.db2.gz PQCMMUMBSUMMHU-QDSKXPNFSA-N 1 1 457.640 3.467 20 0 JGADMO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCSC1 ZINC001298889970 1064699278 /nfs/dbraw/zinc/69/92/78/1064699278.db2.gz XNZLWVDWXZEEEA-WMZOPIPTSA-N 1 1 462.689 3.332 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C ZINC001298890019 1064699372 /nfs/dbraw/zinc/69/93/72/1064699372.db2.gz YSMBHJSTDJHSAY-HOTGVXAUSA-N 1 1 458.573 3.201 20 0 JGADMO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCSC1 ZINC001298889969 1064699416 /nfs/dbraw/zinc/69/94/16/1064699416.db2.gz XNZLWVDWXZEEEA-SJLPKXTDSA-N 1 1 462.689 3.332 20 0 JGADMO C[C@@H]1[C@@H](NC(=O)COc2ccc(I)cc2)CC[N@H+]1Cc1ccccc1 ZINC001298890768 1064700543 /nfs/dbraw/zinc/70/05/43/1064700543.db2.gz YNKCOBSNGXSURN-BEFAXECRSA-N 1 1 450.320 3.449 20 0 JGADMO C[N@H+]1CCN(CCn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903410 1064708429 /nfs/dbraw/zinc/70/84/29/1064708429.db2.gz PNKTUNBJUFRDIV-NRFANRHFSA-N 1 1 476.616 3.458 20 0 JGADMO CN1CC[N@H+](CCn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903410 1064708442 /nfs/dbraw/zinc/70/84/42/1064708442.db2.gz PNKTUNBJUFRDIV-NRFANRHFSA-N 1 1 476.616 3.458 20 0 JGADMO CN1CC[N@@H+](CCn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903410 1064708454 /nfs/dbraw/zinc/70/84/54/1064708454.db2.gz PNKTUNBJUFRDIV-NRFANRHFSA-N 1 1 476.616 3.458 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001298918014 1064719857 /nfs/dbraw/zinc/71/98/57/1064719857.db2.gz ZDHPQWQJVQLTJR-ZWKOTPCHSA-N 1 1 458.582 3.004 20 0 JGADMO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001298925290 1064724676 /nfs/dbraw/zinc/72/46/76/1064724676.db2.gz DYUJENFJMJMWQJ-AOJNWGRGSA-N 1 1 457.615 3.431 20 0 JGADMO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001298926546 1064726182 /nfs/dbraw/zinc/72/61/82/1064726182.db2.gz RDKGGHSLJXQUBI-QHCPKHFHSA-N 1 1 457.640 3.390 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001298948550 1064739344 /nfs/dbraw/zinc/73/93/44/1064739344.db2.gz IPGZBRZJUZVCGO-RTBURBONSA-N 1 1 456.660 3.324 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001298952746 1064744130 /nfs/dbraw/zinc/74/41/30/1064744130.db2.gz GDEAAIYHHMVDPT-VAMGGRTRSA-N 1 1 474.625 3.496 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCC[C@H]1C ZINC001298954454 1064746001 /nfs/dbraw/zinc/74/60/01/1064746001.db2.gz BTMMFONGRYWFNR-LSDHHAIUSA-N 1 1 481.414 3.149 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCC[C@H]1C ZINC001298954453 1064746156 /nfs/dbraw/zinc/74/61/56/1064746156.db2.gz BTMMFONGRYWFNR-HUUCEWRRSA-N 1 1 481.414 3.149 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001298962649 1064749911 /nfs/dbraw/zinc/74/99/11/1064749911.db2.gz AWCCQDUMQMGGED-LSDHHAIUSA-N 1 1 483.480 3.319 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001298965173 1064753023 /nfs/dbraw/zinc/75/30/23/1064753023.db2.gz DMDVKFHIEYHWIE-HNNXBMFYSA-N 1 1 496.978 3.493 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2Br)n1CCCn1cc[nH+]c1C ZINC001298969418 1064760279 /nfs/dbraw/zinc/76/02/79/1064760279.db2.gz JXFBDAPCBJFZCM-HNNXBMFYSA-N 1 1 474.407 3.121 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[N@@H+](C)C1CCCCC1 ZINC001298978966 1064765609 /nfs/dbraw/zinc/76/56/09/1064765609.db2.gz KKAHNCITOOZRIU-SFHVURJKSA-N 1 1 494.644 3.067 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001298986938 1064770863 /nfs/dbraw/zinc/77/08/63/1064770863.db2.gz YGYLWNMQKCBIFV-XCJLJZCSSA-N 1 1 474.675 3.135 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001298992334 1064775773 /nfs/dbraw/zinc/77/57/73/1064775773.db2.gz LRYQCLMGXRLOAE-LEWJYISDSA-N 1 1 482.673 3.098 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001298992334 1064775782 /nfs/dbraw/zinc/77/57/82/1064775782.db2.gz LRYQCLMGXRLOAE-LEWJYISDSA-N 1 1 482.673 3.098 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001299002159 1064781183 /nfs/dbraw/zinc/78/11/83/1064781183.db2.gz MVFVXIQZCZTFEP-MOPGFXCFSA-N 1 1 467.643 3.471 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001299003290 1064782751 /nfs/dbraw/zinc/78/27/51/1064782751.db2.gz RYWTWHAMKKAFFX-STZQEDGTSA-N 1 1 470.662 3.413 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299015486 1064798646 /nfs/dbraw/zinc/79/86/46/1064798646.db2.gz RLCFWZCCHMKZJQ-MZNJEOGPSA-N 1 1 474.053 3.466 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001299028082 1064811663 /nfs/dbraw/zinc/81/16/63/1064811663.db2.gz LGHBBTBXZOJVQA-ISJBWFOZSA-N 1 1 452.647 3.146 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001299028198 1064812294 /nfs/dbraw/zinc/81/22/94/1064812294.db2.gz LYQLAQXFAPCEMS-DEOSSOPVSA-N 1 1 470.618 3.164 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299028336 1064812347 /nfs/dbraw/zinc/81/23/47/1064812347.db2.gz KJLAJXJSBUDBGA-BCHFMIIMSA-N 1 1 470.637 3.481 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001299028257 1064812397 /nfs/dbraw/zinc/81/23/97/1064812397.db2.gz JOCSTCYWJFXENJ-OFVILXPXSA-N 1 1 482.032 3.183 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299029021 1064814599 /nfs/dbraw/zinc/81/45/99/1064814599.db2.gz QTWZKYSKYYTCDI-JIPXPUAJSA-N 1 1 482.673 3.373 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299031833 1064818809 /nfs/dbraw/zinc/81/88/09/1064818809.db2.gz BPSJWMUZMKVKAX-UMTXDNHDSA-N 1 1 482.673 3.496 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001299037588 1064826408 /nfs/dbraw/zinc/82/64/08/1064826408.db2.gz FFPLVXPJQSZPRX-NRFANRHFSA-N 1 1 495.672 3.165 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299063629 1064859330 /nfs/dbraw/zinc/85/93/30/1064859330.db2.gz ALQVPAHKAWOFJD-OALUTQOASA-N 1 1 472.609 3.394 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001299070517 1064867690 /nfs/dbraw/zinc/86/76/90/1064867690.db2.gz IKCRMAWNMCWZKL-IRXDYDNUSA-N 1 1 492.466 3.119 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001299072770 1064873719 /nfs/dbraw/zinc/87/37/19/1064873719.db2.gz KAFZKOKGLZMIIL-UONOGXRCSA-N 1 1 481.464 3.214 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299075966 1064881551 /nfs/dbraw/zinc/88/15/51/1064881551.db2.gz WYYOIUBEXFNVGH-NSHGMRRFSA-N 1 1 474.053 3.324 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299076101 1064882616 /nfs/dbraw/zinc/88/26/16/1064882616.db2.gz XVZBAPMMISKLKH-MSOLQXFVSA-N 1 1 489.462 3.402 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299076102 1064882764 /nfs/dbraw/zinc/88/27/64/1064882764.db2.gz XVZBAPMMISKLKH-QZTJIDSGSA-N 1 1 489.462 3.402 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299084433 1064887875 /nfs/dbraw/zinc/88/78/75/1064887875.db2.gz AXYZEFJUXNDTKT-AZUAARDMSA-N 1 1 473.691 3.108 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001299084422 1064888153 /nfs/dbraw/zinc/88/81/53/1064888153.db2.gz AQTFUHAXUVWDLP-QFIPXVFZSA-N 1 1 495.697 3.485 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001299093908 1064898781 /nfs/dbraw/zinc/89/87/81/1064898781.db2.gz ACVLOXUSZBPNLW-OAQYLSRUSA-N 1 1 468.646 3.250 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001299101906 1064910885 /nfs/dbraw/zinc/91/08/85/1064910885.db2.gz ZBUSQMQRUBVCHP-ZWKOTPCHSA-N 1 1 472.659 3.024 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001299111736 1064922124 /nfs/dbraw/zinc/92/21/24/1064922124.db2.gz ZXNCHSTWYAIGRK-IBGZPJMESA-N 1 1 498.672 3.435 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001299118771 1064926340 /nfs/dbraw/zinc/92/63/40/1064926340.db2.gz OZBFGYAHLZKIRB-IBGZPJMESA-N 1 1 456.610 3.235 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001299120318 1064929537 /nfs/dbraw/zinc/92/95/37/1064929537.db2.gz VBMVITOVKXAJRY-KDURUIRLSA-N 1 1 458.676 3.261 20 0 JGADMO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC001299130398 1064938955 /nfs/dbraw/zinc/93/89/55/1064938955.db2.gz JCNTWJHVHYOPQC-ROUUACIJSA-N 1 1 450.421 3.458 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001299133428 1064941026 /nfs/dbraw/zinc/94/10/26/1064941026.db2.gz HKAIQXHFAFRZLB-UZLBHIALSA-N 1 1 495.455 3.468 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001299749741 1064949564 /nfs/dbraw/zinc/94/95/64/1064949564.db2.gz ULYNSDPLMNKSPK-LOSJGSFVSA-N 1 1 463.667 3.446 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001299750875 1064950778 /nfs/dbraw/zinc/95/07/78/1064950778.db2.gz PMTUUNIDLXVYSY-GAJHUEQPSA-N 1 1 465.545 3.273 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001299750875 1064950792 /nfs/dbraw/zinc/95/07/92/1064950792.db2.gz PMTUUNIDLXVYSY-GAJHUEQPSA-N 1 1 465.545 3.273 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001299750876 1064950904 /nfs/dbraw/zinc/95/09/04/1064950904.db2.gz PMTUUNIDLXVYSY-HXOBKFHXSA-N 1 1 465.545 3.273 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001299750876 1064950923 /nfs/dbraw/zinc/95/09/23/1064950923.db2.gz PMTUUNIDLXVYSY-HXOBKFHXSA-N 1 1 465.545 3.273 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299752794 1064952875 /nfs/dbraw/zinc/95/28/75/1064952875.db2.gz WZDLPSUQIYSYSR-HSZRJFAPSA-N 1 1 495.455 3.421 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299753010 1064953293 /nfs/dbraw/zinc/95/32/93/1064953293.db2.gz XUOKJOBWNUWFTM-MHZLTWQESA-N 1 1 482.673 3.412 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299764973 1064961725 /nfs/dbraw/zinc/96/17/25/1064961725.db2.gz QTPKKQQMSLEURK-VWLOTQADSA-N 1 1 470.666 3.188 20 0 JGADMO COC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1 ZINC001299794569 1064990464 /nfs/dbraw/zinc/99/04/64/1064990464.db2.gz KRBNTZLGKKEBCP-UHFFFAOYSA-N 1 1 454.619 3.088 20 0 JGADMO COC1(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CCCCC1 ZINC001299794027 1064990713 /nfs/dbraw/zinc/99/07/13/1064990713.db2.gz AKLFJBFZIXPKJG-IRLDBZIGSA-N 1 1 460.667 3.130 20 0 JGADMO CO[C@]1(Cn2c(CCOc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCOC1 ZINC001299816318 1065010404 /nfs/dbraw/zinc/01/04/04/1065010404.db2.gz OGUHRVVEFHZYNL-VWLOTQADSA-N 1 1 457.619 3.016 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1OC ZINC001299823879 1065016717 /nfs/dbraw/zinc/01/67/17/1065016717.db2.gz AXJFMSVZXHPSJV-UHFFFAOYSA-N 1 1 468.602 3.346 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)cc1OC ZINC001299823879 1065016732 /nfs/dbraw/zinc/01/67/32/1065016732.db2.gz AXJFMSVZXHPSJV-UHFFFAOYSA-N 1 1 468.602 3.346 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)cc1OC ZINC001299825730 1065018857 /nfs/dbraw/zinc/01/88/57/1065018857.db2.gz YDRNDCNOAJWUHR-UHFFFAOYSA-N 1 1 480.613 3.413 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(-c3ccccn3)n2CC[N@H+]2CCOCC2(C)C)cc1OC ZINC001299825730 1065018865 /nfs/dbraw/zinc/01/88/65/1065018865.db2.gz YDRNDCNOAJWUHR-UHFFFAOYSA-N 1 1 480.613 3.413 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)cc1OC ZINC001299827150 1065020040 /nfs/dbraw/zinc/02/00/40/1065020040.db2.gz IKFGOQRTFWZZBY-UHFFFAOYSA-N 1 1 494.640 3.337 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOCC2(C)C)cc1OC ZINC001299827150 1065020057 /nfs/dbraw/zinc/02/00/57/1065020057.db2.gz IKFGOQRTFWZZBY-UHFFFAOYSA-N 1 1 494.640 3.337 20 0 JGADMO COc1cc(-c2nnc(N(C)CC3CC(F)C3)n2CC[N@@H+]2CC=CCC2)cc(OC)c1OC ZINC001299840730 1065035194 /nfs/dbraw/zinc/03/51/94/1065035194.db2.gz ZOMBHXPSZAQPEM-UHFFFAOYSA-N 1 1 459.566 3.417 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)ccc1OC(C)C ZINC001299845596 1065045789 /nfs/dbraw/zinc/04/57/89/1065045789.db2.gz AEAIKCBBOYPBFJ-PZJWPPBQSA-N 1 1 484.645 3.173 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CC[N@@H+](C)C(C)C)ccc1OC(C)C ZINC001299850427 1065053967 /nfs/dbraw/zinc/05/39/67/1065053967.db2.gz JKYOWZLZCOOFMO-NRFANRHFSA-N 1 1 484.645 3.282 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@H](C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)ccc1OC(C)C ZINC001299851797 1065057471 /nfs/dbraw/zinc/05/74/71/1065057471.db2.gz YMIVUXOOGNTWDT-DFBJGRDBSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](OC)C2CC2)cc(OC)c1OC ZINC001299854475 1065061768 /nfs/dbraw/zinc/06/17/68/1065061768.db2.gz IJOFUDUWVKBMJO-JOCHJYFZSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCCC[C@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299855183 1065063645 /nfs/dbraw/zinc/06/36/45/1065063645.db2.gz SDKMVMQPGVTXBV-FPOVZHCZSA-N 1 1 487.645 3.444 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2COCCO2)ccc1OC(C)C ZINC001299855907 1065064362 /nfs/dbraw/zinc/06/43/62/1065064362.db2.gz YVQUSLAAAJJWGX-NRFANRHFSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1OC(C)C ZINC001299860743 1065076027 /nfs/dbraw/zinc/07/60/27/1065076027.db2.gz WKOWLWNXQHWKJR-RBBKRZOGSA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](OC)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)ccc1OC(C)C ZINC001299862351 1065079228 /nfs/dbraw/zinc/07/92/28/1065079228.db2.gz WYTHHVBAQWBVBL-UNMCSNQZSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(CN(C)c2nnc(Cc3ccsc3)n2C[C@]2(O)CC[N@@H+](C)C2)ccc1SC ZINC001299876748 1065096191 /nfs/dbraw/zinc/09/61/91/1065096191.db2.gz MBILOUVYDACEMZ-QHCPKHFHSA-N 1 1 473.668 3.364 20 0 JGADMO COc1cc(Cn2c(C(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)ccc1OCCO ZINC001299879120 1065099202 /nfs/dbraw/zinc/09/92/02/1065099202.db2.gz TVOSUCCCFDZKLD-UHFFFAOYSA-N 1 1 471.627 3.213 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C)n3CCCc3cccc(C)n3)CC2)cc(OC)c1 ZINC001299891598 1065120038 /nfs/dbraw/zinc/12/00/38/1065120038.db2.gz AHXWPWLEWCUMNB-UHFFFAOYSA-N 1 1 450.587 3.262 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(Cc4ccccn4)n3CC(F)(F)F)CC2)cc(OC)c1 ZINC001299892446 1065121304 /nfs/dbraw/zinc/12/13/04/1065121304.db2.gz IALJJWGRMUXFKF-UHFFFAOYSA-N 1 1 476.503 3.166 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H]3CC(F)(F)CO3)CC2)cc(OC)c1 ZINC001299893464 1065123286 /nfs/dbraw/zinc/12/32/86/1065123286.db2.gz UPCGLONZFAAAFW-NRFANRHFSA-N 1 1 479.572 3.240 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCO[C@H]3CCOC3)CC2)cc(OC)c1 ZINC001299893629 1065123391 /nfs/dbraw/zinc/12/33/91/1065123391.db2.gz WWMNFFMQIALBNM-NRFANRHFSA-N 1 1 487.645 3.111 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001299895047 1065125829 /nfs/dbraw/zinc/12/58/29/1065125829.db2.gz AWMNJJBYALPVMH-KRWDZBQOSA-N 1 1 494.036 3.163 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCCn1cc[nH+]c1C ZINC001299895556 1065127185 /nfs/dbraw/zinc/12/71/85/1065127185.db2.gz RCTOBCJAQBAEPC-GOSISDBHSA-N 1 1 493.033 3.216 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001299897094 1065129970 /nfs/dbraw/zinc/12/99/70/1065129970.db2.gz AKWMWJLKYLGIJK-HXUWFJFHSA-N 1 1 491.080 3.496 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCn1cccn1 ZINC001299897167 1065130498 /nfs/dbraw/zinc/13/04/98/1065130498.db2.gz COJTUVNDDIJUPI-KDURUIRLSA-N 1 1 488.036 3.439 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCn1cccn1 ZINC001299897167 1065130500 /nfs/dbraw/zinc/13/05/00/1065130500.db2.gz COJTUVNDDIJUPI-KDURUIRLSA-N 1 1 488.036 3.439 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001299900657 1065135995 /nfs/dbraw/zinc/13/59/95/1065135995.db2.gz DSCWHRRRQKHRKK-ZWKOTPCHSA-N 1 1 475.037 3.287 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC(NC(C)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001299902724 1065139813 /nfs/dbraw/zinc/13/98/13/1065139813.db2.gz DDIOYTMBXBFBRF-MRXNPFEDSA-N 1 1 461.010 3.196 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCCCn1cc[nH+]c1C ZINC001299903700 1065142393 /nfs/dbraw/zinc/14/23/93/1065142393.db2.gz IMSMIQZGUOVQCA-QGZVFWFLSA-N 1 1 471.993 3.294 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001299903585 1065142414 /nfs/dbraw/zinc/14/24/14/1065142414.db2.gz GNYRGWDIAVKZIQ-SZNDQCEHSA-N 1 1 455.937 3.155 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCCN(C(C)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001299907044 1065148748 /nfs/dbraw/zinc/14/87/48/1065148748.db2.gz BKDAUTSGEIOBAB-KRWDZBQOSA-N 1 1 461.010 3.150 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCCOCC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001299907911 1065151146 /nfs/dbraw/zinc/15/11/46/1065151146.db2.gz NPOJGMWODIFDOP-GOSISDBHSA-N 1 1 464.010 3.335 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1nncn1C ZINC001299908425 1065152643 /nfs/dbraw/zinc/15/26/43/1065152643.db2.gz UVUYVCXHOGILNV-UHFFFAOYSA-N 1 1 458.998 3.095 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001299908748 1065153391 /nfs/dbraw/zinc/15/33/91/1065153391.db2.gz BFEMUTRCUAJFNY-IBGZPJMESA-N 1 1 461.010 3.006 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@@H+](C)C(C)C ZINC001299909083 1065155045 /nfs/dbraw/zinc/15/50/45/1065155045.db2.gz MSSXNDSSHWKPSO-UHFFFAOYSA-N 1 1 485.036 3.372 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCSC(C)C ZINC001299909819 1065158605 /nfs/dbraw/zinc/15/86/05/1065158605.db2.gz DHEIIIFLIDSRCM-KRWDZBQOSA-N 1 1 452.024 3.270 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCSC(C)C ZINC001299909819 1065158610 /nfs/dbraw/zinc/15/86/10/1065158610.db2.gz DHEIIIFLIDSRCM-KRWDZBQOSA-N 1 1 452.024 3.270 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCOCC(C)C ZINC001299913678 1065165394 /nfs/dbraw/zinc/16/53/94/1065165394.db2.gz ZXJPTCAUIWOFOZ-LJQANCHMSA-N 1 1 464.010 3.191 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCOCC(C)C ZINC001299913678 1065165399 /nfs/dbraw/zinc/16/53/99/1065165399.db2.gz ZXJPTCAUIWOFOZ-LJQANCHMSA-N 1 1 464.010 3.191 20 0 JGADMO COc1cc(F)cc(Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001299919425 1065171009 /nfs/dbraw/zinc/17/10/09/1065171009.db2.gz WPLSANNTKKAZNI-UHFFFAOYSA-N 1 1 468.577 3.007 20 0 JGADMO COc1cc(F)cc(Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001299919425 1065171014 /nfs/dbraw/zinc/17/10/14/1065171014.db2.gz WPLSANNTKKAZNI-UHFFFAOYSA-N 1 1 468.577 3.007 20 0 JGADMO COc1cc(N(C)c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC001299922018 1065174638 /nfs/dbraw/zinc/17/46/38/1065174638.db2.gz CWDGSRQZTOQKLW-KRWDZBQOSA-N 1 1 467.574 3.261 20 0 JGADMO COc1cc(N(C)c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299924037 1065178694 /nfs/dbraw/zinc/17/86/94/1065178694.db2.gz PIULNNMGFYYPTR-ROUUACIJSA-N 1 1 459.591 3.450 20 0 JGADMO COc1cc(NC2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)cc(OC)c1 ZINC001299925789 1065185316 /nfs/dbraw/zinc/18/53/16/1065185316.db2.gz KGHAGCMPODJPHN-AREMUKBSSA-N 1 1 486.661 3.031 20 0 JGADMO CCN1C(=O)N=NC1C1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001299926611 1065187238 /nfs/dbraw/zinc/18/72/38/1065187238.db2.gz XEXKJZQGYUYVTH-NRFANRHFSA-N 1 1 451.493 3.164 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299927325 1065188335 /nfs/dbraw/zinc/18/83/35/1065188335.db2.gz CLJAMZUTFPHUIM-UHFFFAOYSA-N 1 1 472.634 3.186 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCCO2)c1 ZINC001299932253 1065197752 /nfs/dbraw/zinc/19/77/52/1065197752.db2.gz MNSLJLDMNKSUCI-SVFBPWRDSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCCO2)c1 ZINC001299932253 1065197758 /nfs/dbraw/zinc/19/77/58/1065197758.db2.gz MNSLJLDMNKSUCI-SVFBPWRDSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001299934292 1065200564 /nfs/dbraw/zinc/20/05/64/1065200564.db2.gz RZIKNBWVWNDMOZ-KDURUIRLSA-N 1 1 456.635 3.081 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299934292 1065200577 /nfs/dbraw/zinc/20/05/77/1065200577.db2.gz RZIKNBWVWNDMOZ-KDURUIRLSA-N 1 1 456.635 3.081 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299934292 1065200587 /nfs/dbraw/zinc/20/05/87/1065200587.db2.gz RZIKNBWVWNDMOZ-KDURUIRLSA-N 1 1 456.635 3.081 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2C[C@H](C)SC)c1 ZINC001299938322 1065207056 /nfs/dbraw/zinc/20/70/56/1065207056.db2.gz KWKDIDHLOGHXKA-GAJHUEQPSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299945871 1065219133 /nfs/dbraw/zinc/21/91/33/1065219133.db2.gz WGOIERYLWGYSPQ-HXUWFJFHSA-N 1 1 472.634 3.044 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCN2CCOC2=O)c1 ZINC001299946844 1065221862 /nfs/dbraw/zinc/22/18/62/1065221862.db2.gz QDBLSCHSOFJBAQ-UHFFFAOYSA-N 1 1 486.617 3.115 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001299951170 1065227754 /nfs/dbraw/zinc/22/77/54/1065227754.db2.gz QQJCRHXCPKDXOX-TZIWHRDSSA-N 1 1 487.645 3.203 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CCCn2cc[nH+]c2C)c1 ZINC001299967838 1065250917 /nfs/dbraw/zinc/25/09/17/1065250917.db2.gz VULCMBDAVZGFDY-CQSZACIVSA-N 1 1 490.406 3.012 20 0 JGADMO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC001299978457 1065274963 /nfs/dbraw/zinc/27/49/63/1065274963.db2.gz AOUVISORUASSRB-UYAOXDASSA-N 1 1 454.619 3.076 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)C(C)C)CC1 ZINC001299991110 1065296002 /nfs/dbraw/zinc/29/60/02/1065296002.db2.gz SJLOACLLBMQCIK-UHFFFAOYSA-N 1 1 491.640 3.142 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001299997397 1065307530 /nfs/dbraw/zinc/30/75/30/1065307530.db2.gz VTKWJVZESGXFDU-RDJZCZTQSA-N 1 1 464.408 3.426 20 0 JGADMO Cc1ccc(Cn2c(N3CC[N@@H+]4CCOC[C@@H]4C3)nnc2C(C)(C)C)c(OCC(F)(F)F)c1 ZINC001492203600 1065318117 /nfs/dbraw/zinc/31/81/17/1065318117.db2.gz IWZAWIIGSLWCPB-SFHVURJKSA-N 1 1 467.536 3.394 20 0 JGADMO Cc1ccc(Cn2c(N3CC[N@H+]4CCOC[C@@H]4C3)nnc2C(C)(C)C)c(OCC(F)(F)F)c1 ZINC001492203600 1065318122 /nfs/dbraw/zinc/31/81/22/1065318122.db2.gz IWZAWIIGSLWCPB-SFHVURJKSA-N 1 1 467.536 3.394 20 0 JGADMO Cc1ccc(CNC(=O)C2CCN(c3nnc(Cc4ccccn4)n3CC[N@H+](C)C(C)C)CC2)cc1 ZINC001492205816 1065320092 /nfs/dbraw/zinc/32/00/92/1065320092.db2.gz OJPFKOKALCTFRL-UHFFFAOYSA-N 1 1 489.668 3.445 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001492207931 1065322067 /nfs/dbraw/zinc/32/20/67/1065322067.db2.gz DBMFFZQBDIDIRC-OTWHNJEPSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492208050 1065322286 /nfs/dbraw/zinc/32/22/86/1065322286.db2.gz ISQNRSAIKFZJGC-RBUKOAKNSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001492211204 1065323509 /nfs/dbraw/zinc/32/35/09/1065323509.db2.gz JSGHNJGWHKZZKH-JOCHJYFZSA-N 1 1 452.578 3.195 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)CC2)cc1 ZINC001492226259 1065329284 /nfs/dbraw/zinc/32/92/84/1065329284.db2.gz DDQFXXLJYWEKBS-UHFFFAOYSA-N 1 1 467.662 3.173 20 0 JGADMO Cc1ccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001492227327 1065329962 /nfs/dbraw/zinc/32/99/62/1065329962.db2.gz JXDQURVNYSZXSP-UHFFFAOYSA-N 1 1 468.627 3.457 20 0 JGADMO Cc1ccc(N2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC[N@@H+](C)C(C)C)CC2=O)cc1 ZINC001492230060 1065331772 /nfs/dbraw/zinc/33/17/72/1065331772.db2.gz JTIHQPGKCDBLDQ-MHZLTWQESA-N 1 1 498.672 3.211 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001492234306 1065334769 /nfs/dbraw/zinc/33/47/69/1065334769.db2.gz BPYVPFJPVJFABM-RXVVDRJESA-N 1 1 483.661 3.228 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001492234307 1065334939 /nfs/dbraw/zinc/33/49/39/1065334939.db2.gz BPYVPFJPVJFABM-WIYYLYMNSA-N 1 1 483.661 3.228 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2[C@@H]2C[C@H]2CF)cc1C ZINC001492241557 1065340631 /nfs/dbraw/zinc/34/06/31/1065340631.db2.gz YCXDRNSXHHFKRN-AZUAARDMSA-N 1 1 458.582 3.225 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2[C@@H]2C[C@H]2CF)cc1C ZINC001492241557 1065340650 /nfs/dbraw/zinc/34/06/50/1065340650.db2.gz YCXDRNSXHHFKRN-AZUAARDMSA-N 1 1 458.582 3.225 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2C[C@@H]2C)cc1C ZINC001492241540 1065340832 /nfs/dbraw/zinc/34/08/32/1065340832.db2.gz YBFIFMDJUZTKTQ-VQTJNVASSA-N 1 1 454.619 3.350 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2C[C@@H]2C)cc1C ZINC001492241540 1065340844 /nfs/dbraw/zinc/34/08/44/1065340844.db2.gz YBFIFMDJUZTKTQ-VQTJNVASSA-N 1 1 454.619 3.350 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCC[NH+]2CCOCC2)cc1C ZINC001492254905 1065355091 /nfs/dbraw/zinc/35/50/91/1065355091.db2.gz POQSIYDJDUIYGK-HSZRJFAPSA-N 1 1 484.645 3.121 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492268913 1065364057 /nfs/dbraw/zinc/36/40/57/1065364057.db2.gz ZMIMTSGNZNJBJL-RBBKRZOGSA-N 1 1 481.645 3.079 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492273770 1065366681 /nfs/dbraw/zinc/36/66/81/1065366681.db2.gz MBRCHVBHGZFYBL-NRFANRHFSA-N 1 1 497.688 3.177 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492273899 1065367390 /nfs/dbraw/zinc/36/73/90/1065367390.db2.gz OYNTZVXVYJNULT-JOCHJYFZSA-N 1 1 484.645 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492274997 1065369659 /nfs/dbraw/zinc/36/96/59/1065369659.db2.gz GYHHAWFATFAJJM-SFHVURJKSA-N 1 1 486.686 3.447 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)C2)nc1 ZINC001492276264 1065370427 /nfs/dbraw/zinc/37/04/27/1065370427.db2.gz NWQSAUNRDIGLEM-VXKWHMMOSA-N 1 1 497.688 3.371 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)C2)nc1 ZINC001492279936 1065372736 /nfs/dbraw/zinc/37/27/36/1065372736.db2.gz CECTUEZWWJIJLR-NRFANRHFSA-N 1 1 483.661 3.146 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)C2)nc1 ZINC001492279936 1065372744 /nfs/dbraw/zinc/37/27/44/1065372744.db2.gz CECTUEZWWJIJLR-NRFANRHFSA-N 1 1 483.661 3.146 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)C2)nc1 ZINC001492280290 1065373195 /nfs/dbraw/zinc/37/31/95/1065373195.db2.gz FFDQQXMRPPCPTL-XZOQPEGZSA-N 1 1 497.688 3.392 20 0 JGADMO Cc1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001492289246 1065383329 /nfs/dbraw/zinc/38/33/29/1065383329.db2.gz XTELGMWAVHTLEH-OAQYLSRUSA-N 1 1 469.634 3.044 20 0 JGADMO Cc1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001492289246 1065383337 /nfs/dbraw/zinc/38/33/37/1065383337.db2.gz XTELGMWAVHTLEH-OAQYLSRUSA-N 1 1 469.634 3.044 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492331679 1065402847 /nfs/dbraw/zinc/40/28/47/1065402847.db2.gz UFDFAHDQKWUCFV-NRFANRHFSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492331679 1065402855 /nfs/dbraw/zinc/40/28/55/1065402855.db2.gz UFDFAHDQKWUCFV-NRFANRHFSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001492336566 1065403490 /nfs/dbraw/zinc/40/34/90/1065403490.db2.gz BLYDYQAWTPLKIV-AZUAARDMSA-N 1 1 483.535 3.249 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492339894 1065408409 /nfs/dbraw/zinc/40/84/09/1065408409.db2.gz WRVYMVVXEOXSSJ-DHIUTWEWSA-N 1 1 457.619 3.138 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001492359296 1065420457 /nfs/dbraw/zinc/42/04/57/1065420457.db2.gz IZHLXSOCPPUHPL-NRFANRHFSA-N 1 1 490.599 3.344 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001492369781 1065430307 /nfs/dbraw/zinc/43/03/07/1065430307.db2.gz BJYJKGPRAVBXGX-OAQYLSRUSA-N 1 1 454.619 3.097 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492370307 1065431796 /nfs/dbraw/zinc/43/17/96/1065431796.db2.gz HQTFPZZWAXROIH-BDTNDASRSA-N 1 1 498.672 3.145 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001492372203 1065436509 /nfs/dbraw/zinc/43/65/09/1065436509.db2.gz XHWBEDCHIYXPGU-OFVILXPXSA-N 1 1 457.619 3.016 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001492372205 1065436565 /nfs/dbraw/zinc/43/65/65/1065436565.db2.gz XHWBEDCHIYXPGU-SQJMNOBHSA-N 1 1 457.619 3.016 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492376862 1065439873 /nfs/dbraw/zinc/43/98/73/1065439873.db2.gz GXPWDGVMBHISMO-YADHBBJMSA-N 1 1 468.646 3.379 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCC(C)C)cc1C ZINC001492383327 1065447946 /nfs/dbraw/zinc/44/79/46/1065447946.db2.gz QUEWWFVYYHRTNM-QHCPKHFHSA-N 1 1 468.646 3.263 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCNC(=O)C(C)C)cc1 ZINC001492384202 1065450359 /nfs/dbraw/zinc/45/03/59/1065450359.db2.gz DWWVVEABAQDXHO-OAQYLSRUSA-N 1 1 468.646 3.248 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCC(=O)NC(C)C)cc1C ZINC001492385197 1065452049 /nfs/dbraw/zinc/45/20/49/1065452049.db2.gz OBYWFQWQKKGDBI-QFIPXVFZSA-N 1 1 498.672 3.078 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001492390977 1065458880 /nfs/dbraw/zinc/45/88/80/1065458880.db2.gz IOCOJZQDTLPBLP-QGZVFWFLSA-N 1 1 471.549 3.248 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001492390977 1065458887 /nfs/dbraw/zinc/45/88/87/1065458887.db2.gz IOCOJZQDTLPBLP-QGZVFWFLSA-N 1 1 471.549 3.248 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001492391972 1065463593 /nfs/dbraw/zinc/46/35/93/1065463593.db2.gz VOWPQPNAKQTWEA-LJQANCHMSA-N 1 1 468.646 3.311 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492393821 1065466018 /nfs/dbraw/zinc/46/60/18/1065466018.db2.gz MTOZMQBLXPNOPS-AREMUKBSSA-N 1 1 481.645 3.300 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC[N@H+]2CCCC(C)(C)C2)cc1C ZINC001492401480 1065471038 /nfs/dbraw/zinc/47/10/38/1065471038.db2.gz NGMMDQFGUDSKJS-UHFFFAOYSA-N 1 1 459.660 3.165 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492401897 1065471160 /nfs/dbraw/zinc/47/11/60/1065471160.db2.gz NRYHIUZUCBMTNP-IFMALSPDSA-N 1 1 459.660 3.464 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492409984 1065475510 /nfs/dbraw/zinc/47/55/10/1065475510.db2.gz ZUHOBXKHJPMOIM-AOHZBQACSA-N 1 1 471.646 3.444 20 0 JGADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492432267 1065489836 /nfs/dbraw/zinc/48/98/36/1065489836.db2.gz YQOPSSOXKOGKGO-SFTDATJTSA-N 1 1 488.702 3.389 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCn3cccn3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001492449090 1065502128 /nfs/dbraw/zinc/50/21/28/1065502128.db2.gz PGVCMWJPZLWUBN-UHFFFAOYSA-N 1 1 469.659 3.323 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCn3cccn3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001492449090 1065502140 /nfs/dbraw/zinc/50/21/40/1065502140.db2.gz PGVCMWJPZLWUBN-UHFFFAOYSA-N 1 1 469.659 3.323 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCC(=O)NC(C)C)cc1 ZINC001492456685 1065506769 /nfs/dbraw/zinc/50/67/69/1065506769.db2.gz RWOSSJXWPURESJ-VWLOTQADSA-N 1 1 486.686 3.095 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1(C)C ZINC001300812641 1065542812 /nfs/dbraw/zinc/54/28/12/1065542812.db2.gz KTPWJNDENGVUQO-FGZHOGPDSA-N 1 1 468.646 3.057 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)CC[C@H]1C ZINC001300822881 1065550196 /nfs/dbraw/zinc/55/01/96/1065550196.db2.gz LEKIELQBDNFWMA-HMXCVIKNSA-N 1 1 487.649 3.459 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC[C@@H]1C ZINC001300826024 1065554936 /nfs/dbraw/zinc/55/49/36/1065554936.db2.gz LITMHSGAXZGCQN-WWPVKYPJSA-N 1 1 459.610 3.226 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1(C)C ZINC001300828569 1065557325 /nfs/dbraw/zinc/55/73/25/1065557325.db2.gz YBPPYLKZYVEPNA-HSZRJFAPSA-N 1 1 472.653 3.143 20 0 JGADMO CO[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1C ZINC001300828307 1065557662 /nfs/dbraw/zinc/55/76/62/1065557662.db2.gz XGJJAOJQZILLFH-NQIIRXRSSA-N 1 1 462.038 3.494 20 0 JGADMO CO[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC[C@H]1C ZINC001300828307 1065557672 /nfs/dbraw/zinc/55/76/72/1065557672.db2.gz XGJJAOJQZILLFH-NQIIRXRSSA-N 1 1 462.038 3.494 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1(C)C ZINC001300835271 1065570873 /nfs/dbraw/zinc/57/08/73/1065570873.db2.gz RCDAKZOMXXELRG-SVFBPWRDSA-N 1 1 456.635 3.013 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC001300839128 1065575093 /nfs/dbraw/zinc/57/50/93/1065575093.db2.gz BKHHLGGKKYVNNK-GMAHTHKFSA-N 1 1 471.646 3.182 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC001300839126 1065575119 /nfs/dbraw/zinc/57/51/19/1065575119.db2.gz BKHHLGGKKYVNNK-FYYLOGMGSA-N 1 1 471.646 3.182 20 0 JGADMO CO[C@H]1CN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)CC1(C)C ZINC001300840885 1065579140 /nfs/dbraw/zinc/57/91/40/1065579140.db2.gz MPZWENGATFGRCK-DEOSSOPVSA-N 1 1 497.732 3.092 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC[C@@H]1C ZINC001300843322 1065582229 /nfs/dbraw/zinc/58/22/29/1065582229.db2.gz PUYRJRAVODZXSK-PWRODBHTSA-N 1 1 488.702 3.499 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1(C)C ZINC001300844096 1065584015 /nfs/dbraw/zinc/58/40/15/1065584015.db2.gz QVKPOAZNPKUBCE-CMKODMSKSA-N 1 1 474.675 3.251 20 0 JGADMO CO[C@H]1COCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300865054 1065627979 /nfs/dbraw/zinc/62/79/79/1065627979.db2.gz KDBCNTQXUNXGSN-GMAHTHKFSA-N 1 1 492.064 3.121 20 0 JGADMO COCC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001300880608 1065664544 /nfs/dbraw/zinc/66/45/44/1065664544.db2.gz NCBJVFMOVIYMQV-HXUWFJFHSA-N 1 1 468.646 3.022 20 0 JGADMO COCC(C)(C)CCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001300927281 1065725961 /nfs/dbraw/zinc/72/59/61/1065725961.db2.gz VEKAEPCJNWKKHE-NQIIRXRSSA-N 1 1 476.691 3.244 20 0 JGADMO COCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001300942366 1065744651 /nfs/dbraw/zinc/74/46/51/1065744651.db2.gz LQBCTZLMABWQFB-YADHBBJMSA-N 1 1 457.619 3.048 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300961513 1065770300 /nfs/dbraw/zinc/77/03/00/1065770300.db2.gz LJNUESGRJVDTCL-MBOZVWFJSA-N 1 1 478.435 3.147 20 0 JGADMO COC[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001300964797 1065773693 /nfs/dbraw/zinc/77/36/93/1065773693.db2.gz CAMGEOIYHKCXOA-FQEVSTJZSA-N 1 1 450.587 3.262 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001300968149 1065776685 /nfs/dbraw/zinc/77/66/85/1065776685.db2.gz ZVEYWVPOJJRAOF-OPAMFIHVSA-N 1 1 496.425 3.430 20 0 JGADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CC1=O ZINC001300981662 1065793194 /nfs/dbraw/zinc/79/31/94/1065793194.db2.gz CUGKODOKKBXUPG-MELADBBJSA-N 1 1 458.347 3.237 20 0 JGADMO COC[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300985193 1065796633 /nfs/dbraw/zinc/79/66/33/1065796633.db2.gz PMIKCANOYAFAQJ-QFIPXVFZSA-N 1 1 481.645 3.202 20 0 JGADMO COC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001301002306 1065827468 /nfs/dbraw/zinc/82/74/68/1065827468.db2.gz YCQKKQANOXNIGH-NSXLHWASSA-N 1 1 494.036 3.034 20 0 JGADMO COC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001301002307 1065828441 /nfs/dbraw/zinc/82/84/41/1065828441.db2.gz YCQKKQANOXNIGH-UTSGNWPNSA-N 1 1 494.036 3.034 20 0 JGADMO COC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)OC ZINC001301002619 1065829098 /nfs/dbraw/zinc/82/90/98/1065829098.db2.gz HCMWLPPOYHJGDL-KFWWJZLASA-N 1 1 470.437 3.103 20 0 JGADMO COC[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301008462 1065838576 /nfs/dbraw/zinc/83/85/76/1065838576.db2.gz RIVLBTBULDAXJR-SFHLNBCPSA-N 1 1 476.666 3.348 20 0 JGADMO COC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)OC ZINC001301022319 1065857938 /nfs/dbraw/zinc/85/79/38/1065857938.db2.gz OHDZLVDHCYUAGI-OIBXWCBGSA-N 1 1 473.618 3.073 20 0 JGADMO COC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001301028318 1065867036 /nfs/dbraw/zinc/86/70/36/1065867036.db2.gz YJEZHVNVGGPRHN-XUZZJYLKSA-N 1 1 464.614 3.026 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301043141 1065886768 /nfs/dbraw/zinc/88/67/68/1065886768.db2.gz HFZOLCMKAQIMLE-HKUYNNGSSA-N 1 1 491.608 3.266 20 0 JGADMO O=C(N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001301057743 1065909232 /nfs/dbraw/zinc/90/92/32/1065909232.db2.gz ILFMZDDPTNHKSY-YPAWHYETSA-N 1 1 474.527 3.357 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301090338 1065940015 /nfs/dbraw/zinc/94/00/15/1065940015.db2.gz ONLWDEDYBIMVSW-UHFFFAOYSA-N 1 1 457.619 3.317 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301090338 1065940022 /nfs/dbraw/zinc/94/00/22/1065940022.db2.gz ONLWDEDYBIMVSW-UHFFFAOYSA-N 1 1 457.619 3.317 20 0 JGADMO O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001301092355 1065941018 /nfs/dbraw/zinc/94/10/18/1065941018.db2.gz ANHTVMLBCHWZOH-LJQANCHMSA-N 1 1 457.368 3.351 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001301092810 1065941460 /nfs/dbraw/zinc/94/14/60/1065941460.db2.gz RSYOGFSAJAVDBD-QFIPXVFZSA-N 1 1 498.672 3.149 20 0 JGADMO COCC1=CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301184136 1066013292 /nfs/dbraw/zinc/01/32/92/1066013292.db2.gz DOITXXGVOPBCEE-DHLKQENFSA-N 1 1 461.651 3.222 20 0 JGADMO COCC1=CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301184656 1066014067 /nfs/dbraw/zinc/01/40/67/1066014067.db2.gz RURRCGJUNVVJBZ-UHFFFAOYSA-N 1 1 477.556 3.440 20 0 JGADMO COCC1=CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301184656 1066014073 /nfs/dbraw/zinc/01/40/73/1066014073.db2.gz RURRCGJUNVVJBZ-UHFFFAOYSA-N 1 1 477.556 3.440 20 0 JGADMO COCC1=CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001301199230 1066025243 /nfs/dbraw/zinc/02/52/43/1066025243.db2.gz IMKWLFCCQCEAPC-JOCHJYFZSA-N 1 1 469.630 3.225 20 0 JGADMO COCC1=CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001301203549 1066027900 /nfs/dbraw/zinc/02/79/00/1066027900.db2.gz IXCXSUZJPGQIPI-DNVJHFABSA-N 1 1 475.678 3.336 20 0 JGADMO COCC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cc[nH+]c2C)CC1 ZINC001301204059 1066027919 /nfs/dbraw/zinc/02/79/19/1066027919.db2.gz OBCLDGSUOVINJP-FQEVSTJZSA-N 1 1 471.606 3.338 20 0 JGADMO COCc1nc(Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001301206003 1066029894 /nfs/dbraw/zinc/02/98/94/1066029894.db2.gz ARHHBGFHNXIKOL-HDICACEKSA-N 1 1 486.642 3.150 20 0 JGADMO COCc1nc(Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001301206003 1066029905 /nfs/dbraw/zinc/02/99/05/1066029905.db2.gz ARHHBGFHNXIKOL-HDICACEKSA-N 1 1 486.642 3.150 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001301227227 1066046401 /nfs/dbraw/zinc/04/64/01/1066046401.db2.gz GMPHOERWQKCCHB-FGZHOGPDSA-N 1 1 460.667 3.422 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001301230375 1066049476 /nfs/dbraw/zinc/04/94/76/1066049476.db2.gz DHDGRIHRQZCCLV-VGSWGCGISA-N 1 1 478.435 3.027 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001301230374 1066049517 /nfs/dbraw/zinc/04/95/17/1066049517.db2.gz DHDGRIHRQZCCLV-VGOFRKELSA-N 1 1 478.435 3.027 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301247292 1066064058 /nfs/dbraw/zinc/06/40/58/1066064058.db2.gz BFPNUVXKSQWGQN-FUPPJEDESA-N 1 1 470.662 3.405 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001301248060 1066065033 /nfs/dbraw/zinc/06/50/33/1066065033.db2.gz OEUJLLPGEQLLNL-UNMCSNQZSA-N 1 1 459.610 3.108 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001301248058 1066065099 /nfs/dbraw/zinc/06/50/99/1066065099.db2.gz OEUJLLPGEQLLNL-RBBKRZOGSA-N 1 1 459.610 3.108 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)C1 ZINC001301255110 1066070498 /nfs/dbraw/zinc/07/04/98/1066070498.db2.gz AFDQDJIJBLOYII-LJQANCHMSA-N 1 1 463.026 3.065 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301255225 1066070567 /nfs/dbraw/zinc/07/05/67/1066070567.db2.gz BVJZKALRSJFMJE-NQIIRXRSSA-N 1 1 475.037 3.333 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001301260968 1066075967 /nfs/dbraw/zinc/07/59/67/1066075967.db2.gz HSJQAECVVXHTBG-SJORKVTESA-N 1 1 465.440 3.393 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301263065 1066078476 /nfs/dbraw/zinc/07/84/76/1066078476.db2.gz QNWNLCIGGGHOSS-LEWJYISDSA-N 1 1 487.645 3.326 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301283553 1066091587 /nfs/dbraw/zinc/09/15/87/1066091587.db2.gz PKOLQJQLWSNIHK-HSZRJFAPSA-N 1 1 484.689 3.363 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301293684 1066098176 /nfs/dbraw/zinc/09/81/76/1066098176.db2.gz IWVXLCWPQLCPHT-HSALFYBXSA-N 1 1 487.645 3.323 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001301293257 1066098345 /nfs/dbraw/zinc/09/83/45/1066098345.db2.gz GJXUSDGEZOSFJI-GHTZIAJQSA-N 1 1 479.572 3.376 20 0 JGADMO COCC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301298707 1066105951 /nfs/dbraw/zinc/10/59/51/1066105951.db2.gz WBEHQNQPJVFIPN-BWKNWUBXSA-N 1 1 463.667 3.446 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC001301360645 1066153347 /nfs/dbraw/zinc/15/33/47/1066153347.db2.gz TZWNKSQQYVSOTM-GUXCAODWSA-N 1 1 465.545 3.269 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC001301360644 1066153361 /nfs/dbraw/zinc/15/33/61/1066153361.db2.gz TZWNKSQQYVSOTM-FTRWYGJKSA-N 1 1 465.545 3.269 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cnc4cc(F)c(F)cc4c3O)C2)ccn1 ZINC001301364743 1066159927 /nfs/dbraw/zinc/15/99/27/1066159927.db2.gz XACWMJZFPQRXEG-KRWDZBQOSA-N 1 1 456.493 3.335 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001301368689 1066163080 /nfs/dbraw/zinc/16/30/80/1066163080.db2.gz KGMPPDHMDRJGLD-SJLPKXTDSA-N 1 1 482.000 3.089 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001301371730 1066165943 /nfs/dbraw/zinc/16/59/43/1066165943.db2.gz ZCGPEUWSSFFBOF-JZXOWHBKSA-N 1 1 484.428 3.213 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC001301377125 1066170648 /nfs/dbraw/zinc/17/06/48/1066170648.db2.gz WUNYAVHPVGFGOK-AZUAARDMSA-N 1 1 454.575 3.179 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301387514 1066174289 /nfs/dbraw/zinc/17/42/89/1066174289.db2.gz MLFWZAJLYCGLFD-DENIHFKCSA-N 1 1 459.610 3.370 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC001301396077 1066177318 /nfs/dbraw/zinc/17/73/18/1066177318.db2.gz HICMTQXMWYRZHO-RXVVDRJESA-N 1 1 456.566 3.233 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301396324 1066177441 /nfs/dbraw/zinc/17/74/41/1066177441.db2.gz JIUOQRDICBTMJH-FUPPJEDESA-N 1 1 471.646 3.097 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001301396361 1066177462 /nfs/dbraw/zinc/17/74/62/1066177462.db2.gz JSYXSKIBUGCDQZ-RCZSKKKRSA-N 1 1 459.610 3.369 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001301398007 1066179026 /nfs/dbraw/zinc/17/90/26/1066179026.db2.gz YFYSCYKDIDTWRB-IRLDBZIGSA-N 1 1 459.610 3.228 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301408654 1066192831 /nfs/dbraw/zinc/19/28/31/1066192831.db2.gz XIEYSLRWCAQJGB-UCFCWBNQSA-N 1 1 471.646 3.446 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301409517 1066194665 /nfs/dbraw/zinc/19/46/65/1066194665.db2.gz GTHZARJYMVDQRS-DENIHFKCSA-N 1 1 475.609 3.358 20 0 JGADMO COCCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301431551 1066229928 /nfs/dbraw/zinc/22/99/28/1066229928.db2.gz IHMRPZGIQAHMLO-SIKLNZKXSA-N 1 1 475.609 3.216 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001301946375 1066237516 /nfs/dbraw/zinc/23/75/16/1066237516.db2.gz XXVNDOGLVYXOHZ-UHFFFAOYSA-N 1 1 462.664 3.025 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001301946375 1066237537 /nfs/dbraw/zinc/23/75/37/1066237537.db2.gz XXVNDOGLVYXOHZ-UHFFFAOYSA-N 1 1 462.664 3.025 20 0 JGADMO COCC[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301437752 1066239525 /nfs/dbraw/zinc/23/95/25/1066239525.db2.gz MCPXNSRCQKYVCX-VGOFRKELSA-N 1 1 496.425 3.309 20 0 JGADMO COCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001301438570 1066242227 /nfs/dbraw/zinc/24/22/27/1066242227.db2.gz BLQDTTXAXRWYRM-KBMIEXCESA-N 1 1 453.587 3.345 20 0 JGADMO CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)C1 ZINC001301949085 1066243794 /nfs/dbraw/zinc/24/37/94/1066243794.db2.gz LFWNEQAYWLMEHR-NRFANRHFSA-N 1 1 451.615 3.347 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001301948963 1066243846 /nfs/dbraw/zinc/24/38/46/1066243846.db2.gz PAOLNQPDQLNQLW-RTBURBONSA-N 1 1 484.674 3.003 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301954711 1066257735 /nfs/dbraw/zinc/25/77/35/1066257735.db2.gz QJNAWXNDJRWNPB-UXHICEINSA-N 1 1 488.702 3.030 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001301448026 1066260833 /nfs/dbraw/zinc/26/08/33/1066260833.db2.gz DZIVOXBNTXMXOP-WIOYSNFSSA-N 1 1 487.645 3.199 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001301453517 1066269940 /nfs/dbraw/zinc/26/99/40/1066269940.db2.gz USZZCXUGBALPAG-SYVJQLTCSA-N 1 1 471.646 3.060 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001301979246 1066285264 /nfs/dbraw/zinc/28/52/64/1066285264.db2.gz CQXXDJFEDQNXGR-GOSISDBHSA-N 1 1 483.617 3.333 20 0 JGADMO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301982193 1066290313 /nfs/dbraw/zinc/29/03/13/1066290313.db2.gz PKTCCAYSVQLIDZ-QFIPXVFZSA-N 1 1 487.737 3.122 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301984698 1066295397 /nfs/dbraw/zinc/29/53/97/1066295397.db2.gz PQEDMQWKWPOUNN-UXGLMHHASA-N 1 1 493.693 3.144 20 0 JGADMO COCCC1(Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC001301476739 1066298980 /nfs/dbraw/zinc/29/89/80/1066298980.db2.gz GDNCMYFVIFFHAX-OYRHEFFESA-N 1 1 473.666 3.211 20 0 JGADMO COCCC1(Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC001301476739 1066298986 /nfs/dbraw/zinc/29/89/86/1066298986.db2.gz GDNCMYFVIFFHAX-OYRHEFFESA-N 1 1 473.666 3.211 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001301986241 1066299052 /nfs/dbraw/zinc/29/90/52/1066299052.db2.gz DCSPBOQDNDUDPZ-HLIPFELVSA-N 1 1 465.639 3.462 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001301986478 1066299622 /nfs/dbraw/zinc/29/96/22/1066299622.db2.gz YAFXYRBBMYKABG-BDTNDASRSA-N 1 1 471.646 3.365 20 0 JGADMO COCCC1(Cn2c([C@H]3CCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001301485785 1066309035 /nfs/dbraw/zinc/30/90/35/1066309035.db2.gz ZHRNNDKLJNQNGW-NRFANRHFSA-N 1 1 463.667 3.316 20 0 JGADMO COCCC1(Cn2c([C@H]3CCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001301485785 1066309047 /nfs/dbraw/zinc/30/90/47/1066309047.db2.gz ZHRNNDKLJNQNGW-NRFANRHFSA-N 1 1 463.667 3.316 20 0 JGADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1[nH]ncc1I ZINC001301485933 1066309085 /nfs/dbraw/zinc/30/90/85/1066309085.db2.gz GDGCJYBEYSSNER-HNNXBMFYSA-N 1 1 450.324 3.046 20 0 JGADMO CN(CCOc1ccccc1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)OC(C)(C)C ZINC001301486145 1066309359 /nfs/dbraw/zinc/30/93/59/1066309359.db2.gz LQDGJCFVMJFFHB-FGZHOGPDSA-N 1 1 473.614 3.306 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001301990984 1066310439 /nfs/dbraw/zinc/31/04/39/1066310439.db2.gz MERLPQUJWWLFPO-KCZVDYSFSA-N 1 1 484.670 3.096 20 0 JGADMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC001301487681 1066310675 /nfs/dbraw/zinc/31/06/75/1066310675.db2.gz BXZBAPWGCMUSHW-QHCPKHFHSA-N 1 1 452.599 3.257 20 0 JGADMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC001301487681 1066310691 /nfs/dbraw/zinc/31/06/91/1066310691.db2.gz BXZBAPWGCMUSHW-QHCPKHFHSA-N 1 1 452.599 3.257 20 0 JGADMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC001301493201 1066318300 /nfs/dbraw/zinc/31/83/00/1066318300.db2.gz BEYOOFRHJUJGOO-GOSISDBHSA-N 1 1 457.372 3.065 20 0 JGADMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC001301493201 1066318320 /nfs/dbraw/zinc/31/83/20/1066318320.db2.gz BEYOOFRHJUJGOO-GOSISDBHSA-N 1 1 457.372 3.065 20 0 JGADMO COCCC1(Cn2c(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)CCC1 ZINC001301493603 1066318435 /nfs/dbraw/zinc/31/84/35/1066318435.db2.gz OCXPNXJYBDMIRW-QFIPXVFZSA-N 1 1 476.710 3.014 20 0 JGADMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)CCOc1ccc(S(N)(=O)=O)cc1 ZINC001301493584 1066318657 /nfs/dbraw/zinc/31/86/57/1066318657.db2.gz AHUWHHXYJPFUDC-UHFFFAOYSA-N 1 1 459.612 3.005 20 0 JGADMO C[C@@H](C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001301493735 1066318921 /nfs/dbraw/zinc/31/89/21/1066318921.db2.gz FLRVTZXSFHUKPZ-OTWHNJEPSA-N 1 1 452.640 3.002 20 0 JGADMO COCCc1noc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001301502145 1066328257 /nfs/dbraw/zinc/32/82/57/1066328257.db2.gz YUIVOXSWPBDQHM-HSALFYBXSA-N 1 1 489.665 3.137 20 0 JGADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301999188 1066330056 /nfs/dbraw/zinc/33/00/56/1066330056.db2.gz AFDLRRMETNCHCU-OALUTQOASA-N 1 1 495.665 3.376 20 0 JGADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301999188 1066330076 /nfs/dbraw/zinc/33/00/76/1066330076.db2.gz AFDLRRMETNCHCU-OALUTQOASA-N 1 1 495.665 3.376 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001301999362 1066330495 /nfs/dbraw/zinc/33/04/95/1066330495.db2.gz BRUAKBTXRXFZRV-WSTZPKSXSA-N 1 1 493.649 3.271 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001301999362 1066330511 /nfs/dbraw/zinc/33/05/11/1066330511.db2.gz BRUAKBTXRXFZRV-WSTZPKSXSA-N 1 1 493.649 3.271 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301504395 1066331204 /nfs/dbraw/zinc/33/12/04/1066331204.db2.gz AQJUGWGGQAQTFV-LJQANCHMSA-N 1 1 492.615 3.435 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301504395 1066331220 /nfs/dbraw/zinc/33/12/20/1066331220.db2.gz AQJUGWGGQAQTFV-LJQANCHMSA-N 1 1 492.615 3.435 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301504395 1066331234 /nfs/dbraw/zinc/33/12/34/1066331234.db2.gz AQJUGWGGQAQTFV-LJQANCHMSA-N 1 1 492.615 3.435 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301504394 1066331334 /nfs/dbraw/zinc/33/13/34/1066331334.db2.gz AQJUGWGGQAQTFV-IBGZPJMESA-N 1 1 492.615 3.435 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301504394 1066331353 /nfs/dbraw/zinc/33/13/53/1066331353.db2.gz AQJUGWGGQAQTFV-IBGZPJMESA-N 1 1 492.615 3.435 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301504394 1066331363 /nfs/dbraw/zinc/33/13/63/1066331363.db2.gz AQJUGWGGQAQTFV-IBGZPJMESA-N 1 1 492.615 3.435 20 0 JGADMO COCC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001301504790 1066331873 /nfs/dbraw/zinc/33/18/73/1066331873.db2.gz YAEDSULWCKRYFB-LJQANCHMSA-N 1 1 455.607 3.053 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCCCC1 ZINC001302001180 1066335022 /nfs/dbraw/zinc/33/50/22/1066335022.db2.gz HLDJXHSUOGBNCM-WOJBJXKFSA-N 1 1 472.659 3.025 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCCCC1 ZINC001302001173 1066335054 /nfs/dbraw/zinc/33/50/54/1066335054.db2.gz HLDJXHSUOGBNCM-UXHICEINSA-N 1 1 472.659 3.025 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302003157 1066338579 /nfs/dbraw/zinc/33/85/79/1066338579.db2.gz ZFUJTUXLCMTUHS-NUJGCVRESA-N 1 1 483.535 3.464 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302003156 1066338840 /nfs/dbraw/zinc/33/88/40/1066338840.db2.gz ZFUJTUXLCMTUHS-LZLYRXPVSA-N 1 1 483.535 3.464 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301512703 1066340416 /nfs/dbraw/zinc/34/04/16/1066340416.db2.gz UPVPJIYKIIQUHT-SFTDATJTSA-N 1 1 457.619 3.317 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301512804 1066340630 /nfs/dbraw/zinc/34/06/30/1066340630.db2.gz VRQJOQPGKDRHKJ-IBGZPJMESA-N 1 1 461.054 3.487 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301512804 1066340647 /nfs/dbraw/zinc/34/06/47/1066340647.db2.gz VRQJOQPGKDRHKJ-IBGZPJMESA-N 1 1 461.054 3.487 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301512804 1066340665 /nfs/dbraw/zinc/34/06/65/1066340665.db2.gz VRQJOQPGKDRHKJ-IBGZPJMESA-N 1 1 461.054 3.487 20 0 JGADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302005511 1066344843 /nfs/dbraw/zinc/34/48/43/1066344843.db2.gz JHOVJWJFQIBQCN-NRFANRHFSA-N 1 1 468.646 3.187 20 0 JGADMO COCCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001301526957 1066353934 /nfs/dbraw/zinc/35/39/34/1066353934.db2.gz RSBTVMIJDRCNGB-PXDATVDWSA-N 1 1 498.672 3.149 20 0 JGADMO COCC[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301528119 1066355858 /nfs/dbraw/zinc/35/58/58/1066355858.db2.gz CYZZFZFQXWTNHC-RTWAWAEBSA-N 1 1 474.650 3.475 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(c3nc(C)no3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302014467 1066360923 /nfs/dbraw/zinc/36/09/23/1066360923.db2.gz LHZRZIQDXPGOMT-PXNSSMCTSA-N 1 1 475.638 3.198 20 0 JGADMO COCCCCCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001301539156 1066366948 /nfs/dbraw/zinc/36/69/48/1066366948.db2.gz GAUFNWIOHZHDJD-NZQKXSOJSA-N 1 1 460.667 3.131 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302017421 1066367778 /nfs/dbraw/zinc/36/77/78/1066367778.db2.gz STVJPKFIQSCPAZ-QHAWAJNXSA-N 1 1 473.666 3.240 20 0 JGADMO CC(C)(C)C(=O)NCCn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001302021258 1066374336 /nfs/dbraw/zinc/37/43/36/1066374336.db2.gz ZAFDPWMVZFTUMD-JOCHJYFZSA-N 1 1 452.647 3.290 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001302022709 1066376799 /nfs/dbraw/zinc/37/67/99/1066376799.db2.gz PJGMUXHRECUBFG-BWKNWUBXSA-N 1 1 456.635 3.218 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001302022878 1066377394 /nfs/dbraw/zinc/37/73/94/1066377394.db2.gz GJXCYIMHSGIUCR-IXTNQLDESA-N 1 1 481.657 3.466 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302025687 1066384665 /nfs/dbraw/zinc/38/46/65/1066384665.db2.gz FDUDMVUPQOQCHB-GSPPDTAYSA-N 1 1 489.636 3.360 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302035444 1066404762 /nfs/dbraw/zinc/40/47/62/1066404762.db2.gz FXUULDREWBDQRV-LZJOCLMNSA-N 1 1 490.476 3.133 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302035444 1066404776 /nfs/dbraw/zinc/40/47/76/1066404776.db2.gz FXUULDREWBDQRV-LZJOCLMNSA-N 1 1 490.476 3.133 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3cc(F)ccc3C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302042323 1066419337 /nfs/dbraw/zinc/41/93/37/1066419337.db2.gz KUIPRHDYJCUVLP-PMACEKPBSA-N 1 1 475.609 3.205 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3[nH]c4ccccc4c3CC2)n1CC[N@@H+](C)C(C)C ZINC001302044609 1066426555 /nfs/dbraw/zinc/42/65/55/1066426555.db2.gz XUNKGLFHESMGDC-IBGZPJMESA-N 1 1 454.619 3.429 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001302050771 1066435877 /nfs/dbraw/zinc/43/58/77/1066435877.db2.gz NATQKBNHEKOPTI-INIZCTEOSA-N 1 1 467.540 3.245 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302051240 1066437335 /nfs/dbraw/zinc/43/73/35/1066437335.db2.gz XGVIGWRROUFCPE-UHFFFAOYSA-N 1 1 474.694 3.352 20 0 JGADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC001301599598 1066442682 /nfs/dbraw/zinc/44/26/82/1066442682.db2.gz WLPLSPLMAGYUEG-OAQYLSRUSA-N 1 1 455.603 3.346 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](c3nc(C)cs3)C2)n1CCn1cc[nH+]c1C ZINC001302053043 1066443842 /nfs/dbraw/zinc/44/38/42/1066443842.db2.gz HACUEBJVWPBKAW-MJGOQNOKSA-N 1 1 459.620 3.356 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302055578 1066450254 /nfs/dbraw/zinc/45/02/54/1066450254.db2.gz QIWIUHGXDNAFDX-SFTDATJTSA-N 1 1 492.665 3.100 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCOCC1 ZINC001301606231 1066451581 /nfs/dbraw/zinc/45/15/81/1066451581.db2.gz BTOVLQUZLMQPBF-UHFFFAOYSA-N 1 1 456.616 3.182 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001301607156 1066453658 /nfs/dbraw/zinc/45/36/58/1066453658.db2.gz JODWZEDUGGMWNI-GGPKGHCWSA-N 1 1 461.676 3.307 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001301607159 1066453832 /nfs/dbraw/zinc/45/38/32/1066453832.db2.gz JODWZEDUGGMWNI-NSHGMRRFSA-N 1 1 461.676 3.307 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC2(CCOCC2)C1 ZINC001301607768 1066455215 /nfs/dbraw/zinc/45/52/15/1066455215.db2.gz QMMSRXMZTFMYBD-UHFFFAOYSA-N 1 1 495.466 3.401 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001301608256 1066455785 /nfs/dbraw/zinc/45/57/85/1066455785.db2.gz YNVXZUPFEXWBNL-UHFFFAOYSA-N 1 1 475.943 3.460 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001301609041 1066456485 /nfs/dbraw/zinc/45/64/85/1066456485.db2.gz GKSZMSPBXPQDQG-KRWDZBQOSA-N 1 1 455.529 3.181 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001301610457 1066457690 /nfs/dbraw/zinc/45/76/90/1066457690.db2.gz PGAFZHXGANTEIO-OAQYLSRUSA-N 1 1 497.688 3.092 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001301612530 1066460465 /nfs/dbraw/zinc/46/04/65/1066460465.db2.gz DHSWXYJDEGUIBP-UHFFFAOYSA-N 1 1 455.006 3.448 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001301613044 1066462428 /nfs/dbraw/zinc/46/24/28/1066462428.db2.gz JASDCAKEUJMPQK-QFIPXVFZSA-N 1 1 455.603 3.140 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001301614170 1066464428 /nfs/dbraw/zinc/46/44/28/1066464428.db2.gz WCLXKHHIAAJSSK-FQEVSTJZSA-N 1 1 450.587 3.020 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302065595 1066465510 /nfs/dbraw/zinc/46/55/10/1066465510.db2.gz MGRGAFUPGMGGQD-PXDATVDWSA-N 1 1 476.065 3.260 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001302066272 1066466774 /nfs/dbraw/zinc/46/67/74/1066466774.db2.gz CXYHRKWFIYGARL-SJORKVTESA-N 1 1 465.561 3.280 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCN(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001302068124 1066471489 /nfs/dbraw/zinc/47/14/89/1066471489.db2.gz OFLRYQAVDBTTCJ-DHIUTWEWSA-N 1 1 470.662 3.451 20 0 JGADMO COCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301623762 1066481974 /nfs/dbraw/zinc/48/19/74/1066481974.db2.gz XNXIENQRWCFDKT-UHFFFAOYSA-N 1 1 475.037 3.353 20 0 JGADMO COCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001301630782 1066492259 /nfs/dbraw/zinc/49/22/59/1066492259.db2.gz PCDTXOYATZIONM-QGZVFWFLSA-N 1 1 466.424 3.209 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301631790 1066493458 /nfs/dbraw/zinc/49/34/58/1066493458.db2.gz WNKHFWQDIODWML-OALUTQOASA-N 1 1 472.609 3.489 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302079058 1066493422 /nfs/dbraw/zinc/49/34/22/1066493422.db2.gz WGYSLEFLNNXUMZ-MSOLQXFVSA-N 1 1 483.583 3.479 20 0 JGADMO COCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301633649 1066495674 /nfs/dbraw/zinc/49/56/74/1066495674.db2.gz ZRVVGEIFSYLTNU-BGYRXZFFSA-N 1 1 457.619 3.316 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302080593 1066497350 /nfs/dbraw/zinc/49/73/50/1066497350.db2.gz SQMKVOLEGDMOGH-PMACEKPBSA-N 1 1 494.681 3.180 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301637618 1066501285 /nfs/dbraw/zinc/50/12/85/1066501285.db2.gz DJMGETAQEIHNAP-HYBUGGRVSA-N 1 1 468.646 3.487 20 0 JGADMO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302082012 1066502012 /nfs/dbraw/zinc/50/20/12/1066502012.db2.gz DJAFOXKZJXTVNN-UHFFFAOYSA-N 1 1 468.646 3.039 20 0 JGADMO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302082012 1066502018 /nfs/dbraw/zinc/50/20/18/1066502018.db2.gz DJAFOXKZJXTVNN-UHFFFAOYSA-N 1 1 468.646 3.039 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301638495 1066502679 /nfs/dbraw/zinc/50/26/79/1066502679.db2.gz QTCKKMQUJWVGSU-ICSRJNTNSA-N 1 1 453.635 3.216 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301639696 1066504016 /nfs/dbraw/zinc/50/40/16/1066504016.db2.gz GFDVNLRDSQTSHK-OAQYLSRUSA-N 1 1 467.662 3.223 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301641447 1066505546 /nfs/dbraw/zinc/50/55/46/1066505546.db2.gz KIJVPZKTAVKMGV-OAQYLSRUSA-N 1 1 467.662 3.223 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001301643812 1066507921 /nfs/dbraw/zinc/50/79/21/1066507921.db2.gz GXRRAXLYYXJUTI-FQEVSTJZSA-N 1 1 454.619 3.097 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001301644301 1066508926 /nfs/dbraw/zinc/50/89/26/1066508926.db2.gz LQNAWNFRCZVJEH-FGZHOGPDSA-N 1 1 462.683 3.374 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301645352 1066509938 /nfs/dbraw/zinc/50/99/38/1066509938.db2.gz ZYDDFYSLNWLPIQ-UHFFFAOYSA-N 1 1 466.630 3.183 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1nc(C)cs1 ZINC001302088779 1066515071 /nfs/dbraw/zinc/51/50/71/1066515071.db2.gz HFONPZCVQSEICL-QGZVFWFLSA-N 1 1 462.645 3.199 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC1(O)CCCCCC1 ZINC001302091638 1066519341 /nfs/dbraw/zinc/51/93/41/1066519341.db2.gz FVTPSAOPKSHRNR-LEWJYISDSA-N 1 1 463.667 3.398 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCc1c(F)cccc1F ZINC001302091418 1066519373 /nfs/dbraw/zinc/51/93/73/1066519373.db2.gz CLNZFQWFIZBMOC-OALUTQOASA-N 1 1 493.599 3.213 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccn3C)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001301652009 1066519544 /nfs/dbraw/zinc/51/95/44/1066519544.db2.gz ZDEGRQATQFBQAN-QFIPXVFZSA-N 1 1 477.657 3.477 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001302092129 1066520441 /nfs/dbraw/zinc/52/04/41/1066520441.db2.gz PAKBBWSFZRMQRA-ZWKOTPCHSA-N 1 1 462.664 3.479 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302093890 1066521907 /nfs/dbraw/zinc/52/19/07/1066521907.db2.gz XRGIEVMEKLHTEK-VJBWXMMDSA-N 1 1 462.683 3.045 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302093890 1066521914 /nfs/dbraw/zinc/52/19/14/1066521914.db2.gz XRGIEVMEKLHTEK-VJBWXMMDSA-N 1 1 462.683 3.045 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H]1CCSC1(C)C ZINC001302095743 1066525477 /nfs/dbraw/zinc/52/54/77/1066525477.db2.gz WNQGWXLARYPJQP-ZCNNSNEGSA-N 1 1 481.707 3.223 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1nc(C(C)C)cs1 ZINC001302096235 1066526500 /nfs/dbraw/zinc/52/65/00/1066526500.db2.gz YGASSHHYKQRSIW-RTBURBONSA-N 1 1 492.690 3.320 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3nccs3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302104535 1066538964 /nfs/dbraw/zinc/53/89/64/1066538964.db2.gz DAYNXAIPUUNJOD-WTGUMLROSA-N 1 1 478.663 3.157 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301665424 1066540242 /nfs/dbraw/zinc/54/02/42/1066540242.db2.gz JSOBQUYCHPLCHX-HXUWFJFHSA-N 1 1 460.667 3.035 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301666507 1066542788 /nfs/dbraw/zinc/54/27/88/1066542788.db2.gz TYBMKVSZTMNZSU-QPPBQGQZSA-N 1 1 475.641 3.089 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301666508 1066543211 /nfs/dbraw/zinc/54/32/11/1066543211.db2.gz TYBMKVSZTMNZSU-URXFXBBRSA-N 1 1 475.641 3.089 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301666628 1066543244 /nfs/dbraw/zinc/54/32/44/1066543244.db2.gz WEOSJJCIRVIUOB-UHFFFAOYSA-N 1 1 474.694 3.427 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302107859 1066543669 /nfs/dbraw/zinc/54/36/69/1066543669.db2.gz MSPGQRFYJFOTGP-URVUXULASA-N 1 1 461.607 3.293 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001302108995 1066546586 /nfs/dbraw/zinc/54/65/86/1066546586.db2.gz SDHQNNNQBONCPN-KNKQGSTJSA-N 1 1 461.582 3.203 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302109032 1066546936 /nfs/dbraw/zinc/54/69/36/1066546936.db2.gz SUKFNDGRBFEDKW-DENIHFKCSA-N 1 1 476.021 3.495 20 0 JGADMO COCCCOC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001301671761 1066549534 /nfs/dbraw/zinc/54/95/34/1066549534.db2.gz HIXMSUPSKPEAAJ-GOSISDBHSA-N 1 1 496.027 3.480 20 0 JGADMO CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302122070 1066564691 /nfs/dbraw/zinc/56/46/91/1066564691.db2.gz VCGJZAQEQMPGHH-QKNQBKEWSA-N 1 1 460.667 3.381 20 0 JGADMO COCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301683435 1066566499 /nfs/dbraw/zinc/56/64/99/1066566499.db2.gz RLKOMMZZBSLDLO-BGYRXZFFSA-N 1 1 472.634 3.118 20 0 JGADMO COCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301683435 1066566513 /nfs/dbraw/zinc/56/65/13/1066566513.db2.gz RLKOMMZZBSLDLO-BGYRXZFFSA-N 1 1 472.634 3.118 20 0 JGADMO CC(=O)N1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001301687588 1066573280 /nfs/dbraw/zinc/57/32/80/1066573280.db2.gz SQRRPHZVSUPYAQ-NRFANRHFSA-N 1 1 472.609 3.175 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001302133553 1066579214 /nfs/dbraw/zinc/57/92/14/1066579214.db2.gz PHCVQJBJKSFOBT-UIOOFZCWSA-N 1 1 455.647 3.466 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3cccc(Br)c3)n2CCCn2cc[nH+]c2C)CC1 ZINC001301692792 1066580863 /nfs/dbraw/zinc/58/08/63/1066580863.db2.gz NVOUFLKBCTWXQO-UHFFFAOYSA-N 1 1 486.418 3.361 20 0 JGADMO CC(=O)N1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301693321 1066581687 /nfs/dbraw/zinc/58/16/87/1066581687.db2.gz XREXSHBDAFSIRC-BKMJKUGQSA-N 1 1 490.693 3.032 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC(CO)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302136072 1066582079 /nfs/dbraw/zinc/58/20/79/1066582079.db2.gz PXVJGEJTMJELLR-HSZRJFAPSA-N 1 1 455.647 3.367 20 0 JGADMO CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301693322 1066582257 /nfs/dbraw/zinc/58/22/57/1066582257.db2.gz XREXSHBDAFSIRC-GJZUVCINSA-N 1 1 490.693 3.032 20 0 JGADMO COCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001301698196 1066586879 /nfs/dbraw/zinc/58/68/79/1066586879.db2.gz KRFZAAQUGFKCQR-PMACEKPBSA-N 1 1 481.645 3.439 20 0 JGADMO CC(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2CCCCn2cc[nH+]c2C)CC1 ZINC001301699436 1066587825 /nfs/dbraw/zinc/58/78/25/1066587825.db2.gz LTTGDTWMOSUXTH-UHFFFAOYSA-N 1 1 453.566 3.052 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302141266 1066589783 /nfs/dbraw/zinc/58/97/83/1066589783.db2.gz KXLDKNUDXCFNHZ-WOJBJXKFSA-N 1 1 478.682 3.207 20 0 JGADMO COCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cc[nH+]c1C ZINC001301700858 1066590169 /nfs/dbraw/zinc/59/01/69/1066590169.db2.gz QUNKYYNJDUVBKH-UHFFFAOYSA-N 1 1 461.611 3.070 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301703919 1066592878 /nfs/dbraw/zinc/59/28/78/1066592878.db2.gz KWEFIDXNMZETPA-UHFFFAOYSA-N 1 1 468.646 3.346 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCCOC(C)C)C[C@H]2C)CC1 ZINC001301707565 1066597805 /nfs/dbraw/zinc/59/78/05/1066597805.db2.gz CYRYSGXHTZQOEZ-FYYLOGMGSA-N 1 1 476.710 3.451 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4csc(C)n4)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001301707997 1066598908 /nfs/dbraw/zinc/59/89/08/1066598908.db2.gz GUWULBMJBJKZEQ-OXJNMPFZSA-N 1 1 495.644 3.058 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)C[C@@H]2C)CC1 ZINC001301708194 1066599067 /nfs/dbraw/zinc/59/90/67/1066599067.db2.gz JIXVPIISZWBDJJ-REWPJTCUSA-N 1 1 469.678 3.489 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccnc(C(F)(F)F)c3)C[C@H]2C)CC1 ZINC001301708175 1066599331 /nfs/dbraw/zinc/59/93/31/1066599331.db2.gz IXURAHHALFKDAG-YLJYHZDGSA-N 1 1 493.578 3.243 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001302149271 1066599833 /nfs/dbraw/zinc/59/98/33/1066599833.db2.gz ZOMZFTFBFAIOSC-VQIMIIECSA-N 1 1 495.466 3.161 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCCOc3ccccc3)C[C@H]2C)CC1 ZINC001301708294 1066600106 /nfs/dbraw/zinc/60/01/06/1066600106.db2.gz KVVNWQHAKNDLJJ-QPPBQGQZSA-N 1 1 468.646 3.250 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301709601 1066603543 /nfs/dbraw/zinc/60/35/43/1066603543.db2.gz UVHILTQHJRXZKH-AEFFLSMTSA-N 1 1 458.573 3.297 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302151975 1066604003 /nfs/dbraw/zinc/60/40/03/1066604003.db2.gz PFCISKGZHCWQSN-ZVDOUQERSA-N 1 1 493.052 3.125 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCOc3c(C)cccc3C)C[C@@H]2C)CC1 ZINC001301710126 1066604122 /nfs/dbraw/zinc/60/41/22/1066604122.db2.gz XEBGOHMAAZXXKX-LADGPHEKSA-N 1 1 482.673 3.476 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CSCCS3)C[C@H]2C)CC1 ZINC001301710561 1066604760 /nfs/dbraw/zinc/60/47/60/1066604760.db2.gz ZGXLSKYVUFIHRL-HLAWJBBLSA-N 1 1 494.775 3.094 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001301713269 1066611093 /nfs/dbraw/zinc/61/10/93/1066611093.db2.gz JOYNCAUCYRPZAB-OAQYLSRUSA-N 1 1 455.607 3.470 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001301713332 1066611636 /nfs/dbraw/zinc/61/16/36/1066611636.db2.gz KRAYURUWNUFHJS-LJQANCHMSA-N 1 1 458.010 3.294 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)[C@H]1C ZINC001301713728 1066613671 /nfs/dbraw/zinc/61/36/71/1066613671.db2.gz NOHIXCXUHDMARG-HZPDHXFCSA-N 1 1 485.496 3.345 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001301714587 1066616109 /nfs/dbraw/zinc/61/61/09/1066616109.db2.gz MZDWVRULXRHNTR-ZWKOTPCHSA-N 1 1 469.565 3.209 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001301715359 1066617264 /nfs/dbraw/zinc/61/72/64/1066617264.db2.gz DMZLFYJSXAUMSY-UHFFFAOYSA-N 1 1 455.582 3.170 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001301715077 1066617350 /nfs/dbraw/zinc/61/73/50/1066617350.db2.gz BCKJIBVCKMGMJW-JOCHJYFZSA-N 1 1 475.659 3.262 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301716102 1066618027 /nfs/dbraw/zinc/61/80/27/1066618027.db2.gz JPPOBOGDPMDORS-FQEVSTJZSA-N 1 1 487.649 3.110 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001301717201 1066619302 /nfs/dbraw/zinc/61/93/02/1066619302.db2.gz OMPOPBAPNJAGDP-NTKDMRAZSA-N 1 1 478.037 3.341 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001301718060 1066619857 /nfs/dbraw/zinc/61/98/57/1066619857.db2.gz AFKLEZJYQUJDKR-IRXDYDNUSA-N 1 1 453.603 3.446 20 0 JGADMO COCC[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301718507 1066620757 /nfs/dbraw/zinc/62/07/57/1066620757.db2.gz GPPHBTWQVRHANG-IBGZPJMESA-N 1 1 466.671 3.329 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001301718855 1066621442 /nfs/dbraw/zinc/62/14/42/1066621442.db2.gz KAIAWAIAFPUFQW-IBGZPJMESA-N 1 1 481.645 3.033 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001301719744 1066621921 /nfs/dbraw/zinc/62/19/21/1066621921.db2.gz WGTTXAAUEMLBDF-PKTZIBPZSA-N 1 1 457.619 3.108 20 0 JGADMO COCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001301721058 1066625649 /nfs/dbraw/zinc/62/56/49/1066625649.db2.gz HTAVTDLDZIAVBA-RTBURBONSA-N 1 1 460.648 3.056 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC001301721260 1066626264 /nfs/dbraw/zinc/62/62/64/1066626264.db2.gz JZPSXJWGNCHZHQ-MRXNPFEDSA-N 1 1 492.466 3.215 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001301721644 1066627762 /nfs/dbraw/zinc/62/77/62/1066627762.db2.gz JRJIXRIQAGNILQ-GLDPYIMESA-N 1 1 494.036 3.034 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001301722209 1066629428 /nfs/dbraw/zinc/62/94/28/1066629428.db2.gz OMADHLSQSGQBKG-YPAWHYETSA-N 1 1 477.694 3.296 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C)=C(Br)C1 ZINC001301722440 1066630322 /nfs/dbraw/zinc/63/03/22/1066630322.db2.gz QFWRNVGHWSDHAM-UHFFFAOYSA-N 1 1 464.408 3.411 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1 ZINC001301722730 1066631734 /nfs/dbraw/zinc/63/17/34/1066631734.db2.gz SXHTWIHLZLAXAH-UHFFFAOYSA-N 1 1 461.408 3.261 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001301723001 1066632845 /nfs/dbraw/zinc/63/28/45/1066632845.db2.gz UHUHGJBGSLIIGC-LWYYNNOASA-N 1 1 464.655 3.252 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001302167250 1066633571 /nfs/dbraw/zinc/63/35/71/1066633571.db2.gz QLAJERKMHKPXAS-SFHVURJKSA-N 1 1 495.466 3.399 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001301723262 1066633977 /nfs/dbraw/zinc/63/39/77/1066633977.db2.gz XTANJTZUHOQUMB-KRWDZBQOSA-N 1 1 487.004 3.313 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCSC2(CCCCC2)C1 ZINC001301723740 1066634832 /nfs/dbraw/zinc/63/48/32/1066634832.db2.gz XZVJHBWCDLEAHN-UHFFFAOYSA-N 1 1 458.676 3.488 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001301724282 1066635951 /nfs/dbraw/zinc/63/59/51/1066635951.db2.gz DPILHBFSXSNAJL-UHFFFAOYSA-N 1 1 463.424 3.106 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001301724278 1066635968 /nfs/dbraw/zinc/63/59/68/1066635968.db2.gz DNQLUDNRKMPNMG-AWEZNQCLSA-N 1 1 469.453 3.166 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302169736 1066638921 /nfs/dbraw/zinc/63/89/21/1066638921.db2.gz VIADNCFMIRZZAD-RBUKOAKNSA-N 1 1 463.026 3.356 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001301725299 1066638982 /nfs/dbraw/zinc/63/89/82/1066638982.db2.gz CAWHHJCQNSENEB-KNQAVFIVSA-N 1 1 459.635 3.061 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302169738 1066639027 /nfs/dbraw/zinc/63/90/27/1066639027.db2.gz VIADNCFMIRZZAD-RTBURBONSA-N 1 1 463.026 3.356 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001301725399 1066639520 /nfs/dbraw/zinc/63/95/20/1066639520.db2.gz FQXKOSNGPJURED-IBGZPJMESA-N 1 1 458.010 3.294 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CNC(C)=O)CC1 ZINC001301725482 1066639535 /nfs/dbraw/zinc/63/95/35/1066639535.db2.gz GPLVIRQJXBGIDK-GOSISDBHSA-N 1 1 488.702 3.062 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001301725300 1066639546 /nfs/dbraw/zinc/63/95/46/1066639546.db2.gz CAWHHJCQNSENEB-SIKLNZKXSA-N 1 1 459.635 3.061 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001301725644 1066640282 /nfs/dbraw/zinc/64/02/82/1066640282.db2.gz HMAUUJIHNLYCTL-UHFFFAOYSA-N 1 1 499.015 3.377 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1 ZINC001301725899 1066641625 /nfs/dbraw/zinc/64/16/25/1066641625.db2.gz KEKLFPASZRFHNX-UHFFFAOYSA-N 1 1 452.390 3.200 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1nccs1 ZINC001301726094 1066642246 /nfs/dbraw/zinc/64/22/46/1066642246.db2.gz OQRKSFNXKSDXCE-UHFFFAOYSA-N 1 1 465.421 3.379 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C)C1 ZINC001301726130 1066642464 /nfs/dbraw/zinc/64/24/64/1066642464.db2.gz PQBMFCIMXIZPIF-AWEZNQCLSA-N 1 1 472.815 3.164 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001301726334 1066643008 /nfs/dbraw/zinc/64/30/08/1066643008.db2.gz PTTOUABPIQBYMH-UHFFFAOYSA-N 1 1 476.622 3.166 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001301726736 1066643683 /nfs/dbraw/zinc/64/36/83/1066643683.db2.gz YCMIVZBWPMHQAF-LSDHHAIUSA-N 1 1 481.464 3.310 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001301726891 1066643810 /nfs/dbraw/zinc/64/38/10/1066643810.db2.gz WYFULAOQJBPGFF-HHHXNRCGSA-N 1 1 484.689 3.122 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001301727346 1066644209 /nfs/dbraw/zinc/64/42/09/1066644209.db2.gz BVJAQZSLEJKBKG-KRWDZBQOSA-N 1 1 488.434 3.013 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001301727359 1066644913 /nfs/dbraw/zinc/64/49/13/1066644913.db2.gz CFBWGKKWDPOVRG-AEFFLSMTSA-N 1 1 464.408 3.283 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS[C@H](C)C1 ZINC001301727683 1066645684 /nfs/dbraw/zinc/64/56/84/1066645684.db2.gz JPPRHIATJNFJPT-OAHLLOKOSA-N 1 1 484.464 3.236 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302174166 1066645711 /nfs/dbraw/zinc/64/57/11/1066645711.db2.gz NFAAPIYFMUMIQN-ROUUACIJSA-N 1 1 478.435 3.434 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302174164 1066645786 /nfs/dbraw/zinc/64/57/86/1066645786.db2.gz NFAAPIYFMUMIQN-MSOLQXFVSA-N 1 1 478.435 3.434 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001301727661 1066645747 /nfs/dbraw/zinc/64/57/47/1066645747.db2.gz IVUSTTFSKUTECD-UHFFFAOYSA-N 1 1 455.582 3.084 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001301727906 1066646314 /nfs/dbraw/zinc/64/63/14/1066646314.db2.gz OGGGKODWHGBVIT-HNNXBMFYSA-N 1 1 484.414 3.429 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001301728324 1066647101 /nfs/dbraw/zinc/64/71/01/1066647101.db2.gz ZBGALRYWTFTODG-FQEVSTJZSA-N 1 1 453.591 3.414 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001302174890 1066647622 /nfs/dbraw/zinc/64/76/22/1066647622.db2.gz ZIVHCUHWWMMGFF-UHFFFAOYSA-N 1 1 456.610 3.374 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001302175115 1066648052 /nfs/dbraw/zinc/64/80/52/1066648052.db2.gz FVTPADZXAUHVDA-VWPQPMDRSA-N 1 1 456.635 3.258 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001301730149 1066648413 /nfs/dbraw/zinc/64/84/13/1066648413.db2.gz QWCARSFFGOFWKX-HXUWFJFHSA-N 1 1 467.593 3.081 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001301730987 1066649822 /nfs/dbraw/zinc/64/98/22/1066649822.db2.gz HXBOWWOIHZMZGI-UHFFFAOYSA-N 1 1 478.384 3.071 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(c2ccc(OC)cc2)CC1 ZINC001301730617 1066650055 /nfs/dbraw/zinc/65/00/55/1066650055.db2.gz XEXOZRKHNLFVTP-UHFFFAOYSA-N 1 1 452.603 3.254 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302177240 1066652420 /nfs/dbraw/zinc/65/24/20/1066652420.db2.gz MCHQEGYWIKXNAY-QFIPXVFZSA-N 1 1 455.647 3.425 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302177240 1066652421 /nfs/dbraw/zinc/65/24/21/1066652421.db2.gz MCHQEGYWIKXNAY-QFIPXVFZSA-N 1 1 455.647 3.425 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001301732888 1066653277 /nfs/dbraw/zinc/65/32/77/1066653277.db2.gz WSBRGYGGXNKLIN-PZJWPPBQSA-N 1 1 476.666 3.350 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001301733181 1066653410 /nfs/dbraw/zinc/65/34/10/1066653410.db2.gz FQDWUHVDQJNZNS-UHFFFAOYSA-N 1 1 484.048 3.131 20 0 JGADMO COCCOC1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001302179183 1066655045 /nfs/dbraw/zinc/65/50/45/1066655045.db2.gz GHMUEXQULVSRSM-LEWJYISDSA-N 1 1 463.667 3.314 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001301736902 1066658808 /nfs/dbraw/zinc/65/88/08/1066658808.db2.gz QDNXMXPCUUQMMT-QFIPXVFZSA-N 1 1 471.005 3.073 20 0 JGADMO COc1ccc([C@@H]2CN(C(=O)c3ccc(I)cc3OC)CC[NH2+]2)cc1 ZINC001302182918 1066660451 /nfs/dbraw/zinc/66/04/51/1066660451.db2.gz JISNAXLBNLKOOR-KRWDZBQOSA-N 1 1 452.292 3.095 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001301740405 1066662243 /nfs/dbraw/zinc/66/22/43/1066662243.db2.gz JWLNHXXUBIQDTJ-SLFFLAALSA-N 1 1 488.633 3.214 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001301742054 1066664352 /nfs/dbraw/zinc/66/43/52/1066664352.db2.gz UMKCQNBIUIWNHZ-DRLORSAXSA-N 1 1 489.636 3.012 20 0 JGADMO COCCOC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001302185959 1066665133 /nfs/dbraw/zinc/66/51/33/1066665133.db2.gz YHBLORGZDRSZFQ-LEWJYISDSA-N 1 1 456.635 3.016 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC001301743084 1066666172 /nfs/dbraw/zinc/66/61/72/1066666172.db2.gz PEKJSPSMRGEBRL-CEXWTWQISA-N 1 1 487.718 3.447 20 0 JGADMO CC(C)(C)CCCn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001302187532 1066666302 /nfs/dbraw/zinc/66/63/02/1066666302.db2.gz MPBAFPIYSBOENU-VXKWHMMOSA-N 1 1 471.646 3.170 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301743131 1066667079 /nfs/dbraw/zinc/66/70/79/1066667079.db2.gz QEICXJFWXMFEIY-KDURUIRLSA-N 1 1 473.691 3.060 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301745903 1066673197 /nfs/dbraw/zinc/67/31/97/1066673197.db2.gz YCPRSOKSJKYYJT-BGYRXZFFSA-N 1 1 470.637 3.433 20 0 JGADMO COCCN(c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1CCOCC1)[C@H]1CC[C@H](C)C1 ZINC001301747437 1066675239 /nfs/dbraw/zinc/67/52/39/1066675239.db2.gz CZNVWMVLXMBNCO-ICSRJNTNSA-N 1 1 463.026 3.357 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001302193170 1066678894 /nfs/dbraw/zinc/67/88/94/1066678894.db2.gz ORYDXJBRSPWUGE-UHFFFAOYSA-N 1 1 479.716 3.456 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)CC1 ZINC001302193744 1066679645 /nfs/dbraw/zinc/67/96/45/1066679645.db2.gz UHSZBPLEMLFQLP-FQEVSTJZSA-N 1 1 477.650 3.120 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001301750008 1066679646 /nfs/dbraw/zinc/67/96/46/1066679646.db2.gz OBUOCCDERRMVEF-JTHBVZDNSA-N 1 1 492.672 3.107 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccccc2)CC1 ZINC001302194177 1066681169 /nfs/dbraw/zinc/68/11/69/1066681169.db2.gz CKWYDWAAVDEYHF-UHFFFAOYSA-N 1 1 454.619 3.294 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CC1 ZINC001302194480 1066681503 /nfs/dbraw/zinc/68/15/03/1066681503.db2.gz FMKUVKHHBQPXLO-FQEVSTJZSA-N 1 1 458.582 3.148 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001302195220 1066684402 /nfs/dbraw/zinc/68/44/02/1066684402.db2.gz OMEFCZIUPRIGQM-UHFFFAOYSA-N 1 1 490.534 3.430 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001302195939 1066685910 /nfs/dbraw/zinc/68/59/10/1066685910.db2.gz XQBYHTKWDVVJBX-QGZVFWFLSA-N 1 1 466.051 3.344 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301755291 1066686312 /nfs/dbraw/zinc/68/63/12/1066686312.db2.gz BGWDSFRVSUDJND-OYRHEFFESA-N 1 1 486.636 3.423 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCOCC(F)F)CC1 ZINC001302196091 1066686556 /nfs/dbraw/zinc/68/65/56/1066686556.db2.gz ZYJSRCFVBDHKCF-UHFFFAOYSA-N 1 1 475.544 3.186 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC001301757083 1066688623 /nfs/dbraw/zinc/68/86/23/1066688623.db2.gz OQDDYMPOWYPJPL-IBGZPJMESA-N 1 1 472.609 3.175 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(CO)c2)CC1 ZINC001302199249 1066690881 /nfs/dbraw/zinc/69/08/81/1066690881.db2.gz ABHBKICQEIGXRQ-UHFFFAOYSA-N 1 1 482.654 3.121 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CCOc2ncccc2F)CC1 ZINC001302200998 1066695495 /nfs/dbraw/zinc/69/54/95/1066695495.db2.gz VSFQPVKGZFPROT-UHFFFAOYSA-N 1 1 453.566 3.188 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(F)ccc3Br)nnc2N2CCCC2(C)C)CC1 ZINC001301762756 1066701395 /nfs/dbraw/zinc/70/13/95/1066701395.db2.gz BETAUOWEVVRQHW-UHFFFAOYSA-N 1 1 493.425 3.390 20 0 JGADMO COCCN(CC(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001301762858 1066702072 /nfs/dbraw/zinc/70/20/72/1066702072.db2.gz UTSJOGFCSXBMJB-UHFFFAOYSA-N 1 1 496.498 3.171 20 0 JGADMO COCCN(CC(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001301762858 1066702080 /nfs/dbraw/zinc/70/20/80/1066702080.db2.gz UTSJOGFCSXBMJB-UHFFFAOYSA-N 1 1 496.498 3.171 20 0 JGADMO COCCN(CC(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001301762858 1066702086 /nfs/dbraw/zinc/70/20/86/1066702086.db2.gz UTSJOGFCSXBMJB-UHFFFAOYSA-N 1 1 496.498 3.171 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)C(C)C)C[C@H]2C)CC1 ZINC001301763007 1066702490 /nfs/dbraw/zinc/70/24/90/1066702490.db2.gz FMSITCRJLURZEX-AUSIDOKSSA-N 1 1 467.662 3.320 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CC(C)(C)C(F)(F)F)C[C@H]2C)CC1 ZINC001301764033 1066704226 /nfs/dbraw/zinc/70/42/26/1066704226.db2.gz IAQSYBHVWFTDLZ-BHIYHBOVSA-N 1 1 486.583 3.097 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)cc3)nnc2N2CC=C(C)CC2)CC1 ZINC001301763984 1066704251 /nfs/dbraw/zinc/70/42/51/1066704251.db2.gz LLNFFLFJUXQLGG-UHFFFAOYSA-N 1 1 473.419 3.028 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001301764631 1066705506 /nfs/dbraw/zinc/70/55/06/1066705506.db2.gz QVRMWYTZMQBDDA-FQEVSTJZSA-N 1 1 482.673 3.410 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001301767260 1066709172 /nfs/dbraw/zinc/70/91/72/1066709172.db2.gz OGOHWOWISFFPSR-UHFFFAOYSA-N 1 1 475.519 3.093 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3Cl)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001301767651 1066710677 /nfs/dbraw/zinc/71/06/77/1066710677.db2.gz UPLRLPRPRJFYON-UHFFFAOYSA-N 1 1 475.037 3.156 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCSc3ccccc3)C[C@H]2C)CC1 ZINC001301768388 1066711752 /nfs/dbraw/zinc/71/17/52/1066711752.db2.gz VVOIFBOKHBZHPT-KNQAVFIVSA-N 1 1 470.687 3.357 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3c(C)cc(C)cc3C)C[C@@H]2C)CC1 ZINC001301768596 1066711805 /nfs/dbraw/zinc/71/18/05/1066711805.db2.gz XPMLKUYREXJDOB-XUZZJYLKSA-N 1 1 452.647 3.364 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CC(F)(F)F)C[C@H]2C)CC1 ZINC001301768624 1066712326 /nfs/dbraw/zinc/71/23/26/1066712326.db2.gz YAGZCDAKPIUBBY-RDTXWAMCSA-N 1 1 470.927 3.150 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)cc3)C[C@@H]2C)CC1 ZINC001301768809 1066712357 /nfs/dbraw/zinc/71/23/57/1066712357.db2.gz YZYGUZCXQYVCMK-CVDCTZTESA-N 1 1 470.637 3.237 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(CCc3ccccc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001301788737 1066738532 /nfs/dbraw/zinc/73/85/32/1066738532.db2.gz MDFVSYHSQGUBGG-OYRHEFFESA-N 1 1 491.640 3.010 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(CCc3ccccc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001301788737 1066738542 /nfs/dbraw/zinc/73/85/42/1066738542.db2.gz MDFVSYHSQGUBGG-OYRHEFFESA-N 1 1 491.640 3.010 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001301790170 1066740512 /nfs/dbraw/zinc/74/05/12/1066740512.db2.gz XTPZUBHASMRFOQ-SZPZYZBQSA-N 1 1 481.689 3.478 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301795216 1066745849 /nfs/dbraw/zinc/74/58/49/1066745849.db2.gz FXZKNWFYWORRBF-KPQWGBOZSA-N 1 1 496.660 3.073 20 0 JGADMO CC(=O)Nc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](CCOC(C)C)CC2)c1 ZINC001301796530 1066747746 /nfs/dbraw/zinc/74/77/46/1066747746.db2.gz WJNQYCNLEPIROJ-HSZRJFAPSA-N 1 1 470.618 3.073 20 0 JGADMO CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N3CC[NH2+][C@@H](c4ccc(O)cc4)C3)o2)CC1 ZINC001301800978 1066752619 /nfs/dbraw/zinc/75/26/19/1066752619.db2.gz BEMKGZQDSRENFJ-LJQANCHMSA-N 1 1 456.543 3.281 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001301802947 1066754222 /nfs/dbraw/zinc/75/42/22/1066754222.db2.gz JLJPVAQSJNFLEJ-UHFFFAOYSA-N 1 1 468.646 3.248 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001301802947 1066754227 /nfs/dbraw/zinc/75/42/27/1066754227.db2.gz JLJPVAQSJNFLEJ-UHFFFAOYSA-N 1 1 468.646 3.248 20 0 JGADMO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(F)(F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302234778 1066754769 /nfs/dbraw/zinc/75/47/69/1066754769.db2.gz UWBYWARQTKTNJN-GOSISDBHSA-N 1 1 482.576 3.084 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302238313 1066759011 /nfs/dbraw/zinc/75/90/11/1066759011.db2.gz PVJYYGWKBJTWTQ-SQVLJLFZSA-N 1 1 475.609 3.307 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302238882 1066759570 /nfs/dbraw/zinc/75/95/70/1066759570.db2.gz RIZQIUGFTWPWMZ-ZRBLBEILSA-N 1 1 457.619 3.116 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccccc3F)n2CCn2cc[nH+]c2C)CC1 ZINC001301808825 1066763769 /nfs/dbraw/zinc/76/37/69/1066763769.db2.gz RMLKGZWTMASXCX-UHFFFAOYSA-N 1 1 453.566 3.097 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001301817388 1066775786 /nfs/dbraw/zinc/77/57/86/1066775786.db2.gz CGAKQCLNLKMVTM-YJBOKZPZSA-N 1 1 493.425 3.436 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301819563 1066780560 /nfs/dbraw/zinc/78/05/60/1066780560.db2.gz VNGLYIOBVWEHSC-KGVIQGDOSA-N 1 1 475.037 3.203 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001301819981 1066781742 /nfs/dbraw/zinc/78/17/42/1066781742.db2.gz XTEMKYXCZDQHTF-TZIWHRDSSA-N 1 1 474.053 3.466 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001301819980 1066781785 /nfs/dbraw/zinc/78/17/85/1066781785.db2.gz XTEMKYXCZDQHTF-PZJWPPBQSA-N 1 1 474.053 3.466 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(F)(F)F)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001302248822 1066781988 /nfs/dbraw/zinc/78/19/88/1066781988.db2.gz WMNMLTGTVUJTAO-PMACEKPBSA-N 1 1 467.536 3.449 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301820830 1066782236 /nfs/dbraw/zinc/78/22/36/1066782236.db2.gz LMZKRDDOFTWYDZ-VWPQPMDRSA-N 1 1 468.646 3.246 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301829555 1066794897 /nfs/dbraw/zinc/79/48/97/1066794897.db2.gz OMNSOFBKPMKYBN-YZUZCNPQSA-N 1 1 452.647 3.289 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301829633 1066795372 /nfs/dbraw/zinc/79/53/72/1066795372.db2.gz PZEOEXRCJOZVAV-RPWUZVMVSA-N 1 1 452.647 3.289 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301829690 1066795423 /nfs/dbraw/zinc/79/54/23/1066795423.db2.gz VDUQEJBYDQLLMI-ZRCGQRJVSA-N 1 1 467.662 3.125 20 0 JGADMO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001302254280 1066795719 /nfs/dbraw/zinc/79/57/19/1066795719.db2.gz RAQWDAXWTGLHLK-HXUWFJFHSA-N 1 1 476.666 3.399 20 0 JGADMO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCn2cc[nH+]c2C)CC1 ZINC001301835766 1066804615 /nfs/dbraw/zinc/80/46/15/1066804615.db2.gz SDYNXFZBZIYCFP-LJQANCHMSA-N 1 1 465.602 3.345 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCCC1(F)F ZINC001302261587 1066808506 /nfs/dbraw/zinc/80/85/06/1066808506.db2.gz WKRHUAVNFAUCJG-UFYCRDLUSA-N 1 1 485.620 3.375 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCCC1(F)F ZINC001302261587 1066808512 /nfs/dbraw/zinc/80/85/12/1066808512.db2.gz WKRHUAVNFAUCJG-UFYCRDLUSA-N 1 1 485.620 3.375 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301839973 1066810971 /nfs/dbraw/zinc/81/09/71/1066810971.db2.gz ZQMQCZVYUREPLC-UHFFFAOYSA-N 1 1 495.455 3.468 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301839973 1066810979 /nfs/dbraw/zinc/81/09/79/1066810979.db2.gz ZQMQCZVYUREPLC-UHFFFAOYSA-N 1 1 495.455 3.468 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301843870 1066816374 /nfs/dbraw/zinc/81/63/74/1066816374.db2.gz CGCDYFKUPVZXRQ-HXUWFJFHSA-N 1 1 473.691 3.107 20 0 JGADMO COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001301844794 1066818037 /nfs/dbraw/zinc/81/80/37/1066818037.db2.gz UUXDSMMAXMFJPY-KRWDZBQOSA-N 1 1 470.401 3.111 20 0 JGADMO COCCn1cc(Cn2c(-c3ccccc3Cl)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001301852231 1066828859 /nfs/dbraw/zinc/82/88/59/1066828859.db2.gz PKOLXKJMLMGHDH-KDURUIRLSA-N 1 1 488.036 3.035 20 0 JGADMO COCCn1cc(Cn2c(-c3ccccc3Cl)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001301852231 1066828864 /nfs/dbraw/zinc/82/88/64/1066828864.db2.gz PKOLXKJMLMGHDH-KDURUIRLSA-N 1 1 488.036 3.035 20 0 JGADMO COCCn1cc(Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC001301854801 1066834357 /nfs/dbraw/zinc/83/43/57/1066834357.db2.gz WJBZZQVBYVJRRI-NRFANRHFSA-N 1 1 465.646 3.469 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001301856622 1066837794 /nfs/dbraw/zinc/83/77/94/1066837794.db2.gz GVPYBOUEKZPZCQ-QHCPKHFHSA-N 1 1 461.614 3.133 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302276221 1066842516 /nfs/dbraw/zinc/84/25/16/1066842516.db2.gz BZRWDFTWQFEPNF-WOJBJXKFSA-N 1 1 492.665 3.124 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302276221 1066842522 /nfs/dbraw/zinc/84/25/22/1066842522.db2.gz BZRWDFTWQFEPNF-WOJBJXKFSA-N 1 1 492.665 3.124 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+](C)C(C)C)C1 ZINC001301860140 1066844882 /nfs/dbraw/zinc/84/48/82/1066844882.db2.gz ZBSCYKKEVZGFBS-AZUAARDMSA-N 1 1 460.598 3.250 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+](C)C(C)C)C1 ZINC001301860141 1066845251 /nfs/dbraw/zinc/84/52/51/1066845251.db2.gz ZBSCYKKEVZGFBS-ICSRJNTNSA-N 1 1 460.598 3.250 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301863232 1066850847 /nfs/dbraw/zinc/85/08/47/1066850847.db2.gz GHOTZMIPTMABSL-BAGYTPMASA-N 1 1 460.667 3.383 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301863373 1066851298 /nfs/dbraw/zinc/85/12/98/1066851298.db2.gz HDBPQTIHTDYLKE-FGCOXFRFSA-N 1 1 468.646 3.045 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCNC(=O)OC(C)(C)C ZINC001302284299 1066854642 /nfs/dbraw/zinc/85/46/42/1066854642.db2.gz PUTCQLABEYOFBF-SFTDATJTSA-N 1 1 494.681 3.083 20 0 JGADMO COCCN1C[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1=O ZINC001301865046 1066854806 /nfs/dbraw/zinc/85/48/06/1066854806.db2.gz UVRFWQGAZXZVTO-DHIUTWEWSA-N 1 1 482.673 3.072 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001302287321 1066860870 /nfs/dbraw/zinc/86/08/70/1066860870.db2.gz WLAKQZDCULNUBX-FCHUYYIVSA-N 1 1 498.672 3.294 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001302287322 1066860947 /nfs/dbraw/zinc/86/09/47/1066860947.db2.gz WLAKQZDCULNUBX-VXKWHMMOSA-N 1 1 498.672 3.294 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CCCn2cc[nH+]c2C)C1 ZINC001301870817 1066863591 /nfs/dbraw/zinc/86/35/91/1066863591.db2.gz BLXXCKGJHKDOBP-QFIPXVFZSA-N 1 1 465.602 3.113 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301870811 1066863607 /nfs/dbraw/zinc/86/36/07/1066863607.db2.gz BIZLLSURMZDDNC-VWNXMTODSA-N 1 1 498.672 3.019 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301872237 1066867628 /nfs/dbraw/zinc/86/76/28/1066867628.db2.gz LSSXAZQCSUUVSY-URVUXULASA-N 1 1 486.636 3.469 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001301873448 1066872234 /nfs/dbraw/zinc/87/22/34/1066872234.db2.gz YVLDKQTZSWPHAS-LJQANCHMSA-N 1 1 452.647 3.375 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301874058 1066873855 /nfs/dbraw/zinc/87/38/55/1066873855.db2.gz FJEPYSCJPAIMLG-SLFFLAALSA-N 1 1 464.655 3.204 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCCC2)CC1 ZINC001301874125 1066874111 /nfs/dbraw/zinc/87/41/11/1066874111.db2.gz FPSWVQKHZMPCKC-UHFFFAOYSA-N 1 1 473.021 3.130 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2C)C[C@H]1C ZINC001301874132 1066874695 /nfs/dbraw/zinc/87/46/95/1066874695.db2.gz FVRHGHRRLZHBKO-QGZVFWFLSA-N 1 1 484.004 3.092 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2C)C[C@H]1C ZINC001301874132 1066874702 /nfs/dbraw/zinc/87/47/02/1066874702.db2.gz FVRHGHRRLZHBKO-QGZVFWFLSA-N 1 1 484.004 3.092 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(SC)CC2)C[C@H]1C ZINC001301874127 1066874873 /nfs/dbraw/zinc/87/48/73/1066874873.db2.gz FRBRULDVZDVESW-LJQANCHMSA-N 1 1 472.659 3.200 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(SC)CC2)C[C@H]1C ZINC001301874127 1066874879 /nfs/dbraw/zinc/87/48/79/1066874879.db2.gz FRBRULDVZDVESW-LJQANCHMSA-N 1 1 472.659 3.200 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301874625 1066875743 /nfs/dbraw/zinc/87/57/43/1066875743.db2.gz KJOAZKUOGGZKMQ-RTBURBONSA-N 1 1 452.644 3.061 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301874622 1066875829 /nfs/dbraw/zinc/87/58/29/1066875829.db2.gz KJOAZKUOGGZKMQ-OALUTQOASA-N 1 1 452.644 3.061 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccccc2F)C[C@H]1C ZINC001301876319 1066877425 /nfs/dbraw/zinc/87/74/25/1066877425.db2.gz ZWPXQSVZVZPOGU-LJQANCHMSA-N 1 1 495.603 3.199 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccccc2F)C[C@H]1C ZINC001301876319 1066877429 /nfs/dbraw/zinc/87/74/29/1066877429.db2.gz ZWPXQSVZVZPOGU-LJQANCHMSA-N 1 1 495.603 3.199 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2cn[nH]c2)C[C@H]1C ZINC001301877750 1066880164 /nfs/dbraw/zinc/88/01/64/1066880164.db2.gz RGYPSNCHLLAHPR-QZTJIDSGSA-N 1 1 474.009 3.194 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001301878585 1066882293 /nfs/dbraw/zinc/88/22/93/1066882293.db2.gz CZEOLGHDLZLCNO-IBGZPJMESA-N 1 1 489.064 3.452 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302298885 1066882669 /nfs/dbraw/zinc/88/26/69/1066882669.db2.gz IUQDFAMCJRNWDV-JOCHJYFZSA-N 1 1 470.662 3.285 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cnccc2OC)CC1 ZINC001301878663 1066882867 /nfs/dbraw/zinc/88/28/67/1066882867.db2.gz YZBMHMCDHQZVFI-NRFANRHFSA-N 1 1 480.613 3.255 20 0 JGADMO CC(C)(C)O[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302299206 1066883179 /nfs/dbraw/zinc/88/31/79/1066883179.db2.gz SVYCPTSFMXULCQ-LJQANCHMSA-N 1 1 472.659 3.315 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001301879263 1066883223 /nfs/dbraw/zinc/88/32/23/1066883223.db2.gz BRUNAWDCAGAJBT-HXUWFJFHSA-N 1 1 482.673 3.316 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302300707 1066885284 /nfs/dbraw/zinc/88/52/84/1066885284.db2.gz RWMJOSRLLIZVEL-OAQYLSRUSA-N 1 1 456.635 3.361 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001301881153 1066887214 /nfs/dbraw/zinc/88/72/14/1066887214.db2.gz CGHHVEONRQVZSI-FXAWDEMLSA-N 1 1 478.435 3.027 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001301881300 1066887968 /nfs/dbraw/zinc/88/79/68/1066887968.db2.gz CHLIERVFFUNMKV-UHFFFAOYSA-N 1 1 463.920 3.143 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(F)cc2)CC1 ZINC001301881717 1066888282 /nfs/dbraw/zinc/88/82/82/1066888282.db2.gz HZWMXQGJEMJSQM-UHFFFAOYSA-N 1 1 477.382 3.186 20 0 JGADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001301881948 1066889182 /nfs/dbraw/zinc/88/91/82/1066889182.db2.gz PHTFOTPBFWPODN-PGRDOPGGSA-N 1 1 459.537 3.272 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cc(C)cc(OC)c1 ZINC001302304039 1066891654 /nfs/dbraw/zinc/89/16/54/1066891654.db2.gz RJBCRPUJRWEXCL-GMAHTHKFSA-N 1 1 457.619 3.288 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301883692 1066892332 /nfs/dbraw/zinc/89/23/32/1066892332.db2.gz ZUURNPSETZHVAI-LJQANCHMSA-N 1 1 491.478 3.208 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301885311 1066894335 /nfs/dbraw/zinc/89/43/35/1066894335.db2.gz IPERQWAEFWWQQU-OAQYLSRUSA-N 1 1 470.662 3.233 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301885311 1066894342 /nfs/dbraw/zinc/89/43/42/1066894342.db2.gz IPERQWAEFWWQQU-OAQYLSRUSA-N 1 1 470.662 3.233 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CSCCS2)CC1 ZINC001301885662 1066894967 /nfs/dbraw/zinc/89/49/67/1066894967.db2.gz LLXKDLIAMZMRCF-SFHVURJKSA-N 1 1 498.516 3.325 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001301885899 1066895489 /nfs/dbraw/zinc/89/54/89/1066895489.db2.gz OJHSBPWMWYUTEK-MJGOQNOKSA-N 1 1 478.435 3.149 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC2CCOCC2)C[C@@H]1C ZINC001301886491 1066897972 /nfs/dbraw/zinc/89/79/72/1066897972.db2.gz ADCBNLQPQMBZHF-SFHVURJKSA-N 1 1 463.026 3.357 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(O)CCC2)C[C@H]1C ZINC001301887249 1066900361 /nfs/dbraw/zinc/90/03/61/1066900361.db2.gz GUONWQKSCHMXKJ-QGZVFWFLSA-N 1 1 464.010 3.069 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001301888340 1066901981 /nfs/dbraw/zinc/90/19/81/1066901981.db2.gz MPHXWJKRNBZMDV-UHFFFAOYSA-N 1 1 482.673 3.414 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(COC)c2)C[C@@H]1C ZINC001301888118 1066902538 /nfs/dbraw/zinc/90/25/38/1066902538.db2.gz MJIBJEYUGOKVMP-SFHVURJKSA-N 1 1 471.005 3.345 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001301888194 1066903168 /nfs/dbraw/zinc/90/31/68/1066903168.db2.gz OATNGHAVIIIQLU-JXFKEZNVSA-N 1 1 496.425 3.430 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2cccc(C)c2)CC1 ZINC001301889167 1066906324 /nfs/dbraw/zinc/90/63/24/1066906324.db2.gz WBLXIIDEPXGHOL-UHFFFAOYSA-N 1 1 456.978 3.149 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC[N@H+](C)C(C)C ZINC001302311905 1066906342 /nfs/dbraw/zinc/90/63/42/1066906342.db2.gz OJJVRIALERLREY-NHTMILBNSA-N 1 1 470.662 3.053 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC[N@@H+](C)C(C)C ZINC001302311905 1066906351 /nfs/dbraw/zinc/90/63/51/1066906351.db2.gz OJJVRIALERLREY-NHTMILBNSA-N 1 1 470.662 3.053 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)C[C@H]1C ZINC001301889405 1066907235 /nfs/dbraw/zinc/90/72/35/1066907235.db2.gz XJDGIKICNRRPFO-GOSISDBHSA-N 1 1 470.021 3.265 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302312267 1066907503 /nfs/dbraw/zinc/90/75/03/1066907503.db2.gz YECBMVYOQRAZEU-SPHOGXRMSA-N 1 1 463.667 3.231 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001301889471 1066907729 /nfs/dbraw/zinc/90/77/29/1066907729.db2.gz ZNAAOTMOEGIBNK-YLJYHZDGSA-N 1 1 458.632 3.368 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)c2ccccn2)C[C@@H]1C ZINC001301889556 1066907841 /nfs/dbraw/zinc/90/78/41/1066907841.db2.gz BEIKPPPGOPLXDF-FQEVSTJZSA-N 1 1 464.614 3.483 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)OC)C[C@@H]1C ZINC001301889800 1066908582 /nfs/dbraw/zinc/90/85/82/1066908582.db2.gz CNAYHKYZZYNXOM-INIZCTEOSA-N 1 1 466.424 3.290 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC(F)(F)F)C[C@H]1C ZINC001301890128 1066909478 /nfs/dbraw/zinc/90/94/78/1066909478.db2.gz HQQMTEMCXWGZAV-CYBMUJFWSA-N 1 1 462.314 3.427 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001301891589 1066912234 /nfs/dbraw/zinc/91/22/34/1066912234.db2.gz RCENAPZOVMXSFE-OAQYLSRUSA-N 1 1 470.662 3.375 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001301891589 1066912240 /nfs/dbraw/zinc/91/22/40/1066912240.db2.gz RCENAPZOVMXSFE-OAQYLSRUSA-N 1 1 470.662 3.375 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302315761 1066913156 /nfs/dbraw/zinc/91/31/56/1066913156.db2.gz NNAJJKNHWZZFJJ-YGWSKSRPSA-N 1 1 493.693 3.000 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001301892972 1066914215 /nfs/dbraw/zinc/91/42/15/1066914215.db2.gz XZOTWXIHWZKCQA-GOTSBHOMSA-N 1 1 454.663 3.470 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001301892972 1066914220 /nfs/dbraw/zinc/91/42/20/1066914220.db2.gz XZOTWXIHWZKCQA-GOTSBHOMSA-N 1 1 454.663 3.470 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001301893055 1066914393 /nfs/dbraw/zinc/91/43/93/1066914393.db2.gz ZVTCPYMBDBOWMK-CTNGQTDRSA-N 1 1 454.644 3.466 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)c2nccs2)C[C@H]1C ZINC001301896303 1066919370 /nfs/dbraw/zinc/91/93/70/1066919370.db2.gz IOWMZSCPQONOTQ-ZWKOTPCHSA-N 1 1 456.616 3.371 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2CC(F)(F)C2(OC)CCOCC2)C[C@@H]1C ZINC001301896870 1066920901 /nfs/dbraw/zinc/92/09/01/1066920901.db2.gz QCXRCNZTYCEUFN-FQEVSTJZSA-N 1 1 493.599 3.241 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301897258 1066921298 /nfs/dbraw/zinc/92/12/98/1066921298.db2.gz VJLVFDSGCXWLSR-OAQYLSRUSA-N 1 1 458.626 3.221 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)Cc2ccc(OC)cc2)C[C@H]1C ZINC001301897779 1066921333 /nfs/dbraw/zinc/92/13/33/1066921333.db2.gz ARHXGKBFKSCBPL-VQTJNVASSA-N 1 1 452.603 3.318 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(C)ccc2OC(F)F)C[C@H]1C ZINC001301899248 1066923848 /nfs/dbraw/zinc/92/38/48/1066923848.db2.gz RODHLXBIGYNLLX-QGZVFWFLSA-N 1 1 460.529 3.388 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301900051 1066924710 /nfs/dbraw/zinc/92/47/10/1066924710.db2.gz MMMPKAMBTLTCCY-XQBPLPMBSA-N 1 1 460.667 3.034 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001301900641 1066925747 /nfs/dbraw/zinc/92/57/47/1066925747.db2.gz AWKPGNPKGGETJC-SFTDATJTSA-N 1 1 489.064 3.308 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccc(OC)c(Br)c2)CC1 ZINC001301906295 1066930895 /nfs/dbraw/zinc/93/08/95/1066930895.db2.gz AUVSAWZYPZNNQV-UHFFFAOYSA-N 1 1 478.435 3.328 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001301908898 1066932700 /nfs/dbraw/zinc/93/27/00/1066932700.db2.gz KIOBRASDTCFSES-PKOBYXMFSA-N 1 1 467.536 3.200 20 0 JGADMO CC(C)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001302334412 1066933421 /nfs/dbraw/zinc/93/34/21/1066933421.db2.gz GZMYDOMKJQBNAT-MRXNPFEDSA-N 1 1 495.455 3.455 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC001301909986 1066934038 /nfs/dbraw/zinc/93/40/38/1066934038.db2.gz AYXIIOZNIPVQBE-UPVQGACJSA-N 1 1 476.710 3.435 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001301911947 1066938624 /nfs/dbraw/zinc/93/86/24/1066938624.db2.gz OWCJHGOHYICPNQ-MRXNPFEDSA-N 1 1 454.541 3.486 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOc2ccc(F)cc2)C[C@@H]1C ZINC001301912619 1066940026 /nfs/dbraw/zinc/94/00/26/1066940026.db2.gz LIFHUOACPPMQIV-UGKGYDQZSA-N 1 1 461.582 3.285 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913050 1066940827 /nfs/dbraw/zinc/94/08/27/1066940827.db2.gz SJLOIZQBSRQENT-ILBGXUMGSA-N 1 1 498.716 3.315 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913050 1066940836 /nfs/dbraw/zinc/94/08/36/1066940836.db2.gz SJLOIZQBSRQENT-ILBGXUMGSA-N 1 1 498.716 3.315 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913053 1066941040 /nfs/dbraw/zinc/94/10/40/1066941040.db2.gz SJLOIZQBSRQENT-UKILVPOCSA-N 1 1 498.716 3.315 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913053 1066941051 /nfs/dbraw/zinc/94/10/51/1066941051.db2.gz SJLOIZQBSRQENT-UKILVPOCSA-N 1 1 498.716 3.315 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001301914556 1066944097 /nfs/dbraw/zinc/94/40/97/1066944097.db2.gz RBRQBKFIEHURBF-COPCDDAFSA-N 1 1 492.615 3.258 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2ccccc2F)C[C@H]1C ZINC001301914998 1066944397 /nfs/dbraw/zinc/94/43/97/1066944397.db2.gz RNJFYCKYBDPYBW-KNKQGSTJSA-N 1 1 461.582 3.283 20 0 JGADMO COCCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301915027 1066944457 /nfs/dbraw/zinc/94/44/57/1066944457.db2.gz RSXGDCMVPRCAHF-XPWALMASSA-N 1 1 462.683 3.046 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001301915053 1066944918 /nfs/dbraw/zinc/94/49/18/1066944918.db2.gz RUTUSAZJUIUPMR-LJQANCHMSA-N 1 1 469.508 3.077 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2ccc(C)cc2)C[C@@H]1C ZINC001301915637 1066945272 /nfs/dbraw/zinc/94/52/72/1066945272.db2.gz SXNSFECPSASIKI-XJUOHMSHSA-N 1 1 457.619 3.453 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N(C)c2ccccc2)C[C@@H]1C ZINC001301915776 1066946016 /nfs/dbraw/zinc/94/60/16/1066946016.db2.gz VDWIVSBYMGJRNN-FUDKSRODSA-N 1 1 456.635 3.202 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301918296 1066947904 /nfs/dbraw/zinc/94/79/04/1066947904.db2.gz HBDBXWKMPYGEJY-DHLKQENFSA-N 1 1 477.657 3.032 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301918342 1066948163 /nfs/dbraw/zinc/94/81/63/1066948163.db2.gz IIXCOIFOOUYEAG-YKSBVNFPSA-N 1 1 498.075 3.377 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301918298 1066948356 /nfs/dbraw/zinc/94/83/56/1066948356.db2.gz HBDBXWKMPYGEJY-RDGATRHJSA-N 1 1 477.657 3.032 20 0 JGADMO CON(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302358224 1066949451 /nfs/dbraw/zinc/94/94/51/1066949451.db2.gz LOHCWNMYJUMXBO-UHFFFAOYSA-N 1 1 451.999 3.360 20 0 JGADMO CON(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302358224 1066949462 /nfs/dbraw/zinc/94/94/62/1066949462.db2.gz LOHCWNMYJUMXBO-UHFFFAOYSA-N 1 1 451.999 3.360 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001301918771 1066949808 /nfs/dbraw/zinc/94/98/08/1066949808.db2.gz COFSZEDUYIPWPX-QHCPKHFHSA-N 1 1 454.663 3.210 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(Br)cc2)C[C@H]1C ZINC001301918693 1066949909 /nfs/dbraw/zinc/94/99/09/1066949909.db2.gz JTSQYDGTVXHAQT-LJQANCHMSA-N 1 1 499.457 3.426 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCS2)C[C@@H]1C ZINC001301918968 1066949926 /nfs/dbraw/zinc/94/99/26/1066949926.db2.gz LZNVCXQEGKVHQB-LPHOPBHVSA-N 1 1 450.678 3.076 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2C)C[C@H]1C ZINC001301919032 1066950243 /nfs/dbraw/zinc/95/02/43/1066950243.db2.gz OCVCYENSXXXECK-LJQANCHMSA-N 1 1 454.644 3.456 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301919170 1066950867 /nfs/dbraw/zinc/95/08/67/1066950867.db2.gz FROPLTCNHLXBAT-NRFANRHFSA-N 1 1 472.653 3.287 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301919170 1066950876 /nfs/dbraw/zinc/95/08/76/1066950876.db2.gz FROPLTCNHLXBAT-NRFANRHFSA-N 1 1 472.653 3.287 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301919171 1066950939 /nfs/dbraw/zinc/95/09/39/1066950939.db2.gz FROPLTCNHLXBAT-OAQYLSRUSA-N 1 1 472.653 3.287 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301919171 1066950943 /nfs/dbraw/zinc/95/09/43/1066950943.db2.gz FROPLTCNHLXBAT-OAQYLSRUSA-N 1 1 472.653 3.287 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCCS2)C[C@@H]1C ZINC001301920042 1066952721 /nfs/dbraw/zinc/95/27/21/1066952721.db2.gz MQDABUJNRHUNTE-FPOVZHCZSA-N 1 1 459.660 3.320 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)C[C@@H]1C ZINC001301919814 1066952949 /nfs/dbraw/zinc/95/29/49/1066952949.db2.gz VJGSBAYVZKFWDM-ODGPQVTHSA-N 1 1 470.662 3.262 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001301920556 1066953496 /nfs/dbraw/zinc/95/34/96/1066953496.db2.gz BNJMXWLMIBQRQV-LJQANCHMSA-N 1 1 471.675 3.297 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302364230 1066954606 /nfs/dbraw/zinc/95/46/06/1066954606.db2.gz POADMMYJVVMDIF-FUHIMQAGSA-N 1 1 465.545 3.271 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301921254 1066954577 /nfs/dbraw/zinc/95/45/77/1066954577.db2.gz RXUBCMMHMSCKPV-YADHBBJMSA-N 1 1 472.653 3.287 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)c2cccs2)C[C@H]1C ZINC001301921303 1066955292 /nfs/dbraw/zinc/95/52/92/1066955292.db2.gz SOEFRLCEUOJGHM-HOYKHHGWSA-N 1 1 473.618 3.134 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001302367095 1066956415 /nfs/dbraw/zinc/95/64/15/1066956415.db2.gz LFBOBDHGSLXUIY-GOEBONIOSA-N 1 1 484.826 3.307 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001302367094 1066956467 /nfs/dbraw/zinc/95/64/67/1066956467.db2.gz LFBOBDHGSLXUIY-GDBMZVCRSA-N 1 1 484.826 3.307 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[C@@](C)(O)c2ccccc2)C[C@H]1C ZINC001301923004 1066957138 /nfs/dbraw/zinc/95/71/38/1066957138.db2.gz PCGJZFFWJNUMHJ-CJFMBICVSA-N 1 1 469.655 3.385 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001301924769 1066958513 /nfs/dbraw/zinc/95/85/13/1066958513.db2.gz WVKLPZSANBVOSW-DOTOQJQBSA-N 1 1 461.554 3.055 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC001301926375 1066959320 /nfs/dbraw/zinc/95/93/20/1066959320.db2.gz DFWDPZJDZDJPKU-LJQANCHMSA-N 1 1 488.036 3.007 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@](C)(O)c2cccs2)C[C@@H]1C ZINC001301926504 1066959888 /nfs/dbraw/zinc/95/98/88/1066959888.db2.gz GLKCCUJRTZFECY-NBGIEHNGSA-N 1 1 469.655 3.189 20 0 JGADMO COCCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926999 1066960715 /nfs/dbraw/zinc/96/07/15/1066960715.db2.gz RSHFHUFUBQVVCC-UPVQGACJSA-N 1 1 484.689 3.177 20 0 JGADMO COCCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926999 1066960728 /nfs/dbraw/zinc/96/07/28/1066960728.db2.gz RSHFHUFUBQVVCC-UPVQGACJSA-N 1 1 484.689 3.177 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001301927335 1066961294 /nfs/dbraw/zinc/96/12/94/1066961294.db2.gz CFAIVTJREKDDDZ-UHFFFAOYSA-N 1 1 487.555 3.018 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)c2ccco2)C[C@@H]1C ZINC001301927432 1066961790 /nfs/dbraw/zinc/96/17/90/1066961790.db2.gz GABPWWGTYNXVGV-HFZDXXHNSA-N 1 1 483.613 3.132 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302376393 1066961823 /nfs/dbraw/zinc/96/18/23/1066961823.db2.gz OOJLPZUGIKJNCH-HSALFYBXSA-N 1 1 462.639 3.102 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC001301927530 1066962687 /nfs/dbraw/zinc/96/26/87/1066962687.db2.gz IQPRBKOIBKQSOS-FDFHNCONSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302380344 1066964117 /nfs/dbraw/zinc/96/41/17/1066964117.db2.gz KMBITDZLEUTCPP-NHCUHLMSSA-N 1 1 464.010 3.092 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001302381586 1066965265 /nfs/dbraw/zinc/96/52/65/1066965265.db2.gz ZMUOILOEWWAYPD-NZQKXSOJSA-N 1 1 471.646 3.348 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2F)CC1 ZINC001301928769 1066965854 /nfs/dbraw/zinc/96/58/54/1066965854.db2.gz CQIVVUCUODRZPZ-BGYRXZFFSA-N 1 1 488.608 3.005 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(C)C)CC1 ZINC001301931082 1066968735 /nfs/dbraw/zinc/96/87/35/1066968735.db2.gz AHCVKDXDGXSHKI-IBGZPJMESA-N 1 1 450.628 3.165 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)CCC(C)C)CC1 ZINC001301931582 1066969369 /nfs/dbraw/zinc/96/93/69/1066969369.db2.gz FQCXGPXGROCQFG-OTPAQWSUSA-N 1 1 465.683 3.152 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](OC)C(C)(C)C)C[C@H]1C ZINC001301931611 1066969721 /nfs/dbraw/zinc/96/97/21/1066969721.db2.gz GZTYGFWWHCKFSZ-XRXFAXGQSA-N 1 1 465.683 3.415 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001301932060 1066970055 /nfs/dbraw/zinc/97/00/55/1066970055.db2.gz VOKIHFNJTFCKQW-AZUAARDMSA-N 1 1 488.702 3.063 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301932551 1066971015 /nfs/dbraw/zinc/97/10/15/1066971015.db2.gz YOHPCDHQOCBMCQ-PLACYPQZSA-N 1 1 462.683 3.064 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)cc2OC)CC1 ZINC001301934009 1066974486 /nfs/dbraw/zinc/97/44/86/1066974486.db2.gz TWNRPQIIJRAYSK-FYYLOGMGSA-N 1 1 471.646 3.330 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2cccs2)C[C@H]1C ZINC001301934420 1066974950 /nfs/dbraw/zinc/97/49/50/1066974950.db2.gz YDPJDUXVPPTIGL-KOSHJBKYSA-N 1 1 489.617 3.122 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)c2cccs2)C[C@H]1C ZINC001301934315 1066975081 /nfs/dbraw/zinc/97/50/81/1066975081.db2.gz YDPJDUXVPPTIGL-HOYKHHGWSA-N 1 1 489.617 3.122 20 0 JGADMO CO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001302399399 1066979656 /nfs/dbraw/zinc/97/96/56/1066979656.db2.gz VWJOJVZUGTUYOB-SFTDATJTSA-N 1 1 492.665 3.076 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001301937389 1066980726 /nfs/dbraw/zinc/98/07/26/1066980726.db2.gz KWMDDVIXXFPIPC-FGZHOGPDSA-N 1 1 482.673 3.495 20 0 JGADMO CO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001302401382 1066981590 /nfs/dbraw/zinc/98/15/90/1066981590.db2.gz KEBWIIOXTFSCEI-KXBFYZLASA-N 1 1 464.408 3.327 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(CC(C)C)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001301939284 1066984453 /nfs/dbraw/zinc/98/44/53/1066984453.db2.gz AXTONKDSSNXSFE-FQEVSTJZSA-N 1 1 469.659 3.448 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[N@H+](C)C(C)C)C1 ZINC001302408835 1066991870 /nfs/dbraw/zinc/99/18/70/1066991870.db2.gz KFTAERGAWQWPHX-OAQYLSRUSA-N 1 1 478.645 3.416 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301942787 1066992313 /nfs/dbraw/zinc/99/23/13/1066992313.db2.gz NTCQXMIDOMHNIA-TUNNFDKTSA-N 1 1 474.694 3.109 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@@H]1OC ZINC001302415226 1066998089 /nfs/dbraw/zinc/99/80/89/1066998089.db2.gz HPTLCYLAMUHMPG-PSWAGMNNSA-N 1 1 464.614 3.387 20 0 JGADMO CO[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1OC ZINC001302419105 1067003543 /nfs/dbraw/zinc/00/35/43/1067003543.db2.gz ITPXQQMQNDJRFF-ZRZAMGCNSA-N 1 1 455.647 3.425 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302419468 1067004253 /nfs/dbraw/zinc/00/42/53/1067004253.db2.gz VWFNFZJWEBSPPT-YADHBBJMSA-N 1 1 467.662 3.125 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001302422288 1067009114 /nfs/dbraw/zinc/00/91/14/1067009114.db2.gz YMWXAKPFDMXSRK-HXUWFJFHSA-N 1 1 453.635 3.346 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1OC ZINC001302426071 1067011154 /nfs/dbraw/zinc/01/11/54/1067011154.db2.gz UBLXAFAYTNQFGR-PYXMZCFHSA-N 1 1 463.667 3.167 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001303960987 1067015747 /nfs/dbraw/zinc/01/57/47/1067015747.db2.gz XEBJJSHKHQXGMJ-GOSISDBHSA-N 1 1 458.573 3.326 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(CCc3ccccc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001303962257 1067015925 /nfs/dbraw/zinc/01/59/25/1067015925.db2.gz FQENVCWNSCKVOL-QFIPXVFZSA-N 1 1 452.647 3.277 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(CCc3ccccc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001303962256 1067016031 /nfs/dbraw/zinc/01/60/31/1067016031.db2.gz FQENVCWNSCKVOL-JOCHJYFZSA-N 1 1 452.647 3.277 20 0 JGADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303962298 1067016478 /nfs/dbraw/zinc/01/64/78/1067016478.db2.gz HFKGTQSZGQYZCF-WOJBJXKFSA-N 1 1 460.667 3.383 20 0 JGADMO CC1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001303963236 1067016639 /nfs/dbraw/zinc/01/66/39/1067016639.db2.gz RRWXBXXKHOVKLT-NRFANRHFSA-N 1 1 489.064 3.477 20 0 JGADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303979326 1067026931 /nfs/dbraw/zinc/02/69/31/1067026931.db2.gz GCECXVVFDVQFOS-QHCPKHFHSA-N 1 1 496.700 3.305 20 0 JGADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303979326 1067026945 /nfs/dbraw/zinc/02/69/45/1067026945.db2.gz GCECXVVFDVQFOS-QHCPKHFHSA-N 1 1 496.700 3.305 20 0 JGADMO CC1(C)C[N@H+](CCn2c(CCCc3ccccc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCO1 ZINC001303980362 1067028043 /nfs/dbraw/zinc/02/80/43/1067028043.db2.gz UJDHIIFFRMEXAB-UHFFFAOYSA-N 1 1 495.590 3.458 20 0 JGADMO CC1(C)C[N@@H+](CCn2c(CCCc3ccccc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCO1 ZINC001303980362 1067028056 /nfs/dbraw/zinc/02/80/56/1067028056.db2.gz UJDHIIFFRMEXAB-UHFFFAOYSA-N 1 1 495.590 3.458 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 ZINC001303993500 1067036789 /nfs/dbraw/zinc/03/67/89/1067036789.db2.gz XOKJMJWRTFNPHY-XMMPIXPASA-N 1 1 461.582 3.112 20 0 JGADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc([C@H]3CCCCO3)n2CCSCC(F)(F)F)C1 ZINC001303997753 1067040000 /nfs/dbraw/zinc/04/00/00/1067040000.db2.gz MMXHOQFEASKHSE-APWZRJJASA-N 1 1 463.570 3.116 20 0 JGADMO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001304005250 1067047763 /nfs/dbraw/zinc/04/77/63/1067047763.db2.gz DDGXAMGUHYAXRP-UHFFFAOYSA-N 1 1 454.619 3.429 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001304010244 1067052341 /nfs/dbraw/zinc/05/23/41/1067052341.db2.gz HTUVCNHUDPDIHW-GMAHTHKFSA-N 1 1 495.672 3.289 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302451492 1067053017 /nfs/dbraw/zinc/05/30/17/1067053017.db2.gz IFZIFUPRWHNESX-INIZCTEOSA-N 1 1 483.444 3.181 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001302452734 1067054988 /nfs/dbraw/zinc/05/49/88/1067054988.db2.gz AAQBLULIPPBVOR-KRWDZBQOSA-N 1 1 489.462 3.400 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001304012267 1067055894 /nfs/dbraw/zinc/05/58/94/1067055894.db2.gz COMRUYKUAWNFQR-OAQYLSRUSA-N 1 1 465.602 3.459 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)c1C ZINC001304013786 1067057596 /nfs/dbraw/zinc/05/75/96/1067057596.db2.gz FLWUCJAPUDMUSI-DENIHFKCSA-N 1 1 479.629 3.430 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+]2CC=CCC2)c1C ZINC001304015567 1067059438 /nfs/dbraw/zinc/05/94/38/1067059438.db2.gz PJALHURABVMGST-NRFANRHFSA-N 1 1 454.619 3.258 20 0 JGADMO CS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001302457151 1067059654 /nfs/dbraw/zinc/05/96/54/1067059654.db2.gz NMRFYQGNUSVVOM-UHFFFAOYSA-N 1 1 452.024 3.098 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(N)=O)CC3)n2CC[N@H+]2CCC[C@H](C)C2)c1C ZINC001304020384 1067064246 /nfs/dbraw/zinc/06/42/46/1067064246.db2.gz NMSYHJWCUNINPC-GHTZIAJQSA-N 1 1 468.646 3.469 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304021214 1067065318 /nfs/dbraw/zinc/06/53/18/1067065318.db2.gz RGZHXYOFLRBYCB-VHSZZVNMSA-N 1 1 498.672 3.093 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001302462078 1067065669 /nfs/dbraw/zinc/06/56/69/1067065669.db2.gz ZOIVAHDYWPIBQP-GOSISDBHSA-N 1 1 486.020 3.178 20 0 JGADMO CC(C)C(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001302462444 1067066587 /nfs/dbraw/zinc/06/65/87/1067066587.db2.gz IFWUOTSVTHILTE-UHFFFAOYSA-N 1 1 477.053 3.165 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001304023546 1067068989 /nfs/dbraw/zinc/06/89/89/1067068989.db2.gz NSWIQIYFWLTBGT-PZJWPPBQSA-N 1 1 465.602 3.332 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCn2cc(CO)nn2)c1C ZINC001304026422 1067073372 /nfs/dbraw/zinc/07/33/72/1067073372.db2.gz SDURNJODTWVOBB-QFIPXVFZSA-N 1 1 496.660 3.130 20 0 JGADMO CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001302470667 1067074791 /nfs/dbraw/zinc/07/47/91/1067074791.db2.gz USDCLBQGBVLWST-DHIUTWEWSA-N 1 1 468.646 3.393 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2(O)CCC2)c1C ZINC001304029330 1067077353 /nfs/dbraw/zinc/07/73/53/1067077353.db2.gz LHCLECCEFMQYAT-JOCHJYFZSA-N 1 1 471.646 3.497 20 0 JGADMO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041950 1067085376 /nfs/dbraw/zinc/08/53/76/1067085376.db2.gz AHZPXPPEXDXUCG-QZTJIDSGSA-N 1 1 454.384 3.429 20 0 JGADMO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041952 1067085711 /nfs/dbraw/zinc/08/57/11/1067085711.db2.gz AHZPXPPEXDXUCG-ZWKOTPCHSA-N 1 1 454.384 3.429 20 0 JGADMO Cc1nc(CCn2c(Cc3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)sc1C ZINC001304045770 1067088265 /nfs/dbraw/zinc/08/82/65/1067088265.db2.gz IEXHAZYRZDKDES-UHFFFAOYSA-N 1 1 483.686 3.375 20 0 JGADMO Cc1nc(CCn2c(CC(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)sc1C ZINC001304046017 1067088811 /nfs/dbraw/zinc/08/88/11/1067088811.db2.gz LLTMBRFBLKJYTE-UHFFFAOYSA-N 1 1 456.664 3.238 20 0 JGADMO Cc1nc(Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)sc1C ZINC001304053656 1067094760 /nfs/dbraw/zinc/09/47/60/1067094760.db2.gz VTZWXOOQZTUMSH-UHFFFAOYSA-N 1 1 456.664 3.271 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)(F)F)n1CC[N@@H+]1CC=CCC1 ZINC001304056880 1067096851 /nfs/dbraw/zinc/09/68/51/1067096851.db2.gz GCHBBPDTMAJXRI-UHFFFAOYSA-N 1 1 485.580 3.197 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302503090 1067102295 /nfs/dbraw/zinc/10/22/95/1067102295.db2.gz KPLJKTWNYNIUQY-LVXARBLLSA-N 1 1 471.646 3.082 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302503090 1067102297 /nfs/dbraw/zinc/10/22/97/1067102297.db2.gz KPLJKTWNYNIUQY-LVXARBLLSA-N 1 1 471.646 3.082 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001302502936 1067102340 /nfs/dbraw/zinc/10/23/40/1067102340.db2.gz GYISVLHKZQMKIV-RBUKOAKNSA-N 1 1 453.635 3.200 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302503089 1067102393 /nfs/dbraw/zinc/10/23/93/1067102393.db2.gz KPLJKTWNYNIUQY-HFZDXXHNSA-N 1 1 471.646 3.082 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302503089 1067102398 /nfs/dbraw/zinc/10/23/98/1067102398.db2.gz KPLJKTWNYNIUQY-HFZDXXHNSA-N 1 1 471.646 3.082 20 0 JGADMO Cc1occc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304076255 1067120454 /nfs/dbraw/zinc/12/04/54/1067120454.db2.gz KTGDDJGHWZVIHF-QZTJIDSGSA-N 1 1 481.601 3.351 20 0 JGADMO CSC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302511824 1067123654 /nfs/dbraw/zinc/12/36/54/1067123654.db2.gz AVRWXQSLIAUWMK-KRWDZBQOSA-N 1 1 466.449 3.370 20 0 JGADMO CSC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302511824 1067123657 /nfs/dbraw/zinc/12/36/57/1067123657.db2.gz AVRWXQSLIAUWMK-KRWDZBQOSA-N 1 1 466.449 3.370 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302512413 1067124874 /nfs/dbraw/zinc/12/48/74/1067124874.db2.gz YKEJELVGEPEVIQ-HXUWFJFHSA-N 1 1 474.694 3.424 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302512413 1067124879 /nfs/dbraw/zinc/12/48/79/1067124879.db2.gz YKEJELVGEPEVIQ-HXUWFJFHSA-N 1 1 474.694 3.424 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C(C)C)[NH+]1CCOCC1 ZINC001302514684 1067131726 /nfs/dbraw/zinc/13/17/26/1067131726.db2.gz FIDPXOJUPRQSAS-YADHBBJMSA-N 1 1 472.609 3.140 20 0 JGADMO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001302514789 1067132315 /nfs/dbraw/zinc/13/23/15/1067132315.db2.gz GEKOIFCXQHVJSA-JBACZVJFSA-N 1 1 476.666 3.252 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304091646 1067134623 /nfs/dbraw/zinc/13/46/23/1067134623.db2.gz FQZYQNJOGOVUQH-SFHVURJKSA-N 1 1 455.632 3.166 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001304092372 1067135762 /nfs/dbraw/zinc/13/57/62/1067135762.db2.gz WRIHKHVOKUBGNM-IBGZPJMESA-N 1 1 458.607 3.256 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(Cc2cccnc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001304092381 1067136336 /nfs/dbraw/zinc/13/63/36/1067136336.db2.gz WXHGZGYMZSCRJK-HXUWFJFHSA-N 1 1 455.632 3.022 20 0 JGADMO CC(C)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302517109 1067136454 /nfs/dbraw/zinc/13/64/54/1067136454.db2.gz ZDGHXIDUPRNZMV-WOJBJXKFSA-N 1 1 462.639 3.006 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001302517704 1067136889 /nfs/dbraw/zinc/13/68/89/1067136889.db2.gz AYSJXUCJIRROPD-RLWLMLJZSA-N 1 1 499.660 3.190 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001302519381 1067139063 /nfs/dbraw/zinc/13/90/63/1067139063.db2.gz NEAZLDNFPGRPNT-BJLQDIEVSA-N 1 1 457.623 3.495 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ncccc2F)CC1)[NH+]1CCOCC1 ZINC001302522362 1067142293 /nfs/dbraw/zinc/14/22/93/1067142293.db2.gz FJYAHFNQLCKXIS-JOCHJYFZSA-N 1 1 487.668 3.474 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302523942 1067145268 /nfs/dbraw/zinc/14/52/68/1067145268.db2.gz MGDROEXYNSBCCH-WOJBJXKFSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302524297 1067145976 /nfs/dbraw/zinc/14/59/76/1067145976.db2.gz FHPPOKHUKGXLSI-PMACEKPBSA-N 1 1 490.674 3.001 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302524297 1067145987 /nfs/dbraw/zinc/14/59/87/1067145987.db2.gz FHPPOKHUKGXLSI-PMACEKPBSA-N 1 1 490.674 3.001 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302524300 1067146107 /nfs/dbraw/zinc/14/61/07/1067146107.db2.gz FHPPOKHUKGXLSI-WOJBJXKFSA-N 1 1 490.674 3.001 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302524300 1067146113 /nfs/dbraw/zinc/14/61/13/1067146113.db2.gz FHPPOKHUKGXLSI-WOJBJXKFSA-N 1 1 490.674 3.001 20 0 JGADMO CSC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001302525791 1067149205 /nfs/dbraw/zinc/14/92/05/1067149205.db2.gz GFNWDBNHSCOSPK-RBUKOAKNSA-N 1 1 494.706 3.403 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302525964 1067149227 /nfs/dbraw/zinc/14/92/27/1067149227.db2.gz UANGTSQBUULRJG-ACRUOGEOSA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001302527198 1067153099 /nfs/dbraw/zinc/15/30/99/1067153099.db2.gz AKJHQELDBIIVGS-NHTMILBNSA-N 1 1 455.647 3.017 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302527922 1067155485 /nfs/dbraw/zinc/15/54/85/1067155485.db2.gz FWRSUNJFQCHWEZ-RTWAWAEBSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302527922 1067155492 /nfs/dbraw/zinc/15/54/92/1067155492.db2.gz FWRSUNJFQCHWEZ-RTWAWAEBSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001302528217 1067156251 /nfs/dbraw/zinc/15/62/51/1067156251.db2.gz HLJOUQDAEKAGBG-PZJWPPBQSA-N 1 1 486.627 3.440 20 0 JGADMO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccco1)[NH+]1CCOCC1 ZINC001302528639 1067156560 /nfs/dbraw/zinc/15/65/60/1067156560.db2.gz KPBJRSMQYPCNGA-RBUKOAKNSA-N 1 1 486.642 3.417 20 0 JGADMO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001302529176 1067158450 /nfs/dbraw/zinc/15/84/50/1067158450.db2.gz SVRXDUVSUBSHQL-SFHVURJKSA-N 1 1 460.648 3.005 20 0 JGADMO CC(C)c1ccnc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001302536556 1067167975 /nfs/dbraw/zinc/16/79/75/1067167975.db2.gz OWGDDBNNUOGPID-QFIPXVFZSA-N 1 1 484.693 3.172 20 0 JGADMO Cc1c(Cl)cccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001304131042 1067169185 /nfs/dbraw/zinc/16/91/85/1067169185.db2.gz UWRVATDUJRSXJF-GOSISDBHSA-N 1 1 497.109 3.455 20 0 JGADMO CS[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302549468 1067186571 /nfs/dbraw/zinc/18/65/71/1067186571.db2.gz YSFVIPXZHYUJJH-OLZOCXBDSA-N 1 1 458.451 3.041 20 0 JGADMO CS[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302549468 1067186574 /nfs/dbraw/zinc/18/65/74/1067186574.db2.gz YSFVIPXZHYUJJH-OLZOCXBDSA-N 1 1 458.451 3.041 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)no1 ZINC001304145422 1067188279 /nfs/dbraw/zinc/18/82/79/1067188279.db2.gz CKVSXDDWSYPULR-FQEVSTJZSA-N 1 1 457.623 3.217 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3CCOCC3)CC2)c(C)o1 ZINC001304145897 1067188749 /nfs/dbraw/zinc/18/87/49/1067188749.db2.gz KOJXHWBWXUUJGK-UHFFFAOYSA-N 1 1 472.634 3.121 20 0 JGADMO Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c(C)o1 ZINC001304147189 1067192414 /nfs/dbraw/zinc/19/24/14/1067192414.db2.gz ONSNAHJIWPNKQI-WXVAWEFUSA-N 1 1 497.640 3.081 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)CC2)no1 ZINC001304147432 1067192983 /nfs/dbraw/zinc/19/29/83/1067192983.db2.gz SDOGCQHMICVREB-SFHVURJKSA-N 1 1 471.650 3.294 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302560869 1067201302 /nfs/dbraw/zinc/20/13/02/1067201302.db2.gz CRCXYBMDTTUIEH-SFHVURJKSA-N 1 1 463.648 3.113 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001302560869 1067201311 /nfs/dbraw/zinc/20/13/11/1067201311.db2.gz CRCXYBMDTTUIEH-SFHVURJKSA-N 1 1 463.648 3.113 20 0 JGADMO Cc1cc(C)c(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC001304159936 1067207015 /nfs/dbraw/zinc/20/70/15/1067207015.db2.gz FMLJSWXQJWMIEZ-SZPZYZBQSA-N 1 1 468.646 3.033 20 0 JGADMO Cc1cc(C)c(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC001304159936 1067207022 /nfs/dbraw/zinc/20/70/22/1067207022.db2.gz FMLJSWXQJWMIEZ-SZPZYZBQSA-N 1 1 468.646 3.033 20 0 JGADMO CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001302569272 1067208631 /nfs/dbraw/zinc/20/86/31/1067208631.db2.gz GUKREVAZHGGYDN-SFTDATJTSA-N 1 1 480.579 3.375 20 0 JGADMO CS[C@H](C)Cn1c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001302570098 1067209330 /nfs/dbraw/zinc/20/93/30/1067209330.db2.gz PSJNHYDLHVRHSX-YCRNBWNJSA-N 1 1 451.681 3.381 20 0 JGADMO CS[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001302570289 1067209771 /nfs/dbraw/zinc/20/97/71/1067209771.db2.gz SOODWDVXPXGTGX-GOSISDBHSA-N 1 1 477.748 3.380 20 0 JGADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)c(C)c1 ZINC001304163903 1067210943 /nfs/dbraw/zinc/21/09/43/1067210943.db2.gz JZSKAXSFZVWIDE-QFIPXVFZSA-N 1 1 498.672 3.283 20 0 JGADMO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)c(C)c1 ZINC001304163903 1067210948 /nfs/dbraw/zinc/21/09/48/1067210948.db2.gz JZSKAXSFZVWIDE-QFIPXVFZSA-N 1 1 498.672 3.283 20 0 JGADMO CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001304164871 1067211734 /nfs/dbraw/zinc/21/17/34/1067211734.db2.gz AVXBNPGPHHRSDO-LJQANCHMSA-N 1 1 455.546 3.286 20 0 JGADMO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302573864 1067213337 /nfs/dbraw/zinc/21/33/37/1067213337.db2.gz UUJXLFYWMBJRCS-FQEVSTJZSA-N 1 1 476.691 3.084 20 0 JGADMO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302573864 1067213340 /nfs/dbraw/zinc/21/33/40/1067213340.db2.gz UUJXLFYWMBJRCS-FQEVSTJZSA-N 1 1 476.691 3.084 20 0 JGADMO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302573866 1067213375 /nfs/dbraw/zinc/21/33/75/1067213375.db2.gz UUJXLFYWMBJRCS-HXUWFJFHSA-N 1 1 476.691 3.084 20 0 JGADMO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302573866 1067213376 /nfs/dbraw/zinc/21/33/76/1067213376.db2.gz UUJXLFYWMBJRCS-HXUWFJFHSA-N 1 1 476.691 3.084 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304169007 1067216596 /nfs/dbraw/zinc/21/65/96/1067216596.db2.gz DDMPPFGSIFWRFC-FIXSFTCYSA-N 1 1 498.672 3.030 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304169010 1067216621 /nfs/dbraw/zinc/21/66/21/1067216621.db2.gz DDMPPFGSIFWRFC-ZDXQCDESSA-N 1 1 498.672 3.030 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304169627 1067217731 /nfs/dbraw/zinc/21/77/31/1067217731.db2.gz HOCAWWXEFRDTPR-VLCRHTCISA-N 1 1 468.646 3.261 20 0 JGADMO CS[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C(C)(C)C ZINC001302581261 1067219638 /nfs/dbraw/zinc/21/96/38/1067219638.db2.gz RKNRTILHNXYMOD-PZJWPPBQSA-N 1 1 475.707 3.232 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001304174920 1067223332 /nfs/dbraw/zinc/22/33/32/1067223332.db2.gz PFMBCUCWEWMZKR-OAQYLSRUSA-N 1 1 468.646 3.440 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCC(=O)N2)c1 ZINC001304175149 1067223781 /nfs/dbraw/zinc/22/37/81/1067223781.db2.gz RQASEMJYRXLYKA-JOCHJYFZSA-N 1 1 468.646 3.309 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304175622 1067224700 /nfs/dbraw/zinc/22/47/00/1067224700.db2.gz WJPOOKQEQFLMBG-QFIPXVFZSA-N 1 1 468.646 3.405 20 0 JGADMO CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)C(C)(C)C ZINC001302589833 1067227126 /nfs/dbraw/zinc/22/71/26/1067227126.db2.gz BWQFNSADZNGKOR-VXSCBNMQSA-N 1 1 492.734 3.286 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304181399 1067230201 /nfs/dbraw/zinc/23/02/01/1067230201.db2.gz DILBIAYHJKEGII-UHFFFAOYSA-N 1 1 457.619 3.200 20 0 JGADMO CC(C)c1nnc(N(C)CCOCc2ccccc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302594241 1067232098 /nfs/dbraw/zinc/23/20/98/1067232098.db2.gz BPLMRWUGJKMSTD-DEOSSOPVSA-N 1 1 459.660 3.262 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCN(C(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001304183591 1067234361 /nfs/dbraw/zinc/23/43/61/1067234361.db2.gz ZDMLQONCZNZCRD-UHFFFAOYSA-N 1 1 470.662 3.115 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CC(=O)NC(C)(C)C ZINC001304188758 1067238710 /nfs/dbraw/zinc/23/87/10/1067238710.db2.gz IWYYMWSGBBTKPT-UHFFFAOYSA-N 1 1 460.586 3.358 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302606429 1067240795 /nfs/dbraw/zinc/24/07/95/1067240795.db2.gz CPKZSSVNOMNNIY-JTHBVZDNSA-N 1 1 468.646 3.128 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302606427 1067240985 /nfs/dbraw/zinc/24/09/85/1067240985.db2.gz CPKZSSVNOMNNIY-GMAHTHKFSA-N 1 1 468.646 3.128 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001304191597 1067241838 /nfs/dbraw/zinc/24/18/38/1067241838.db2.gz DIDQPYSVSOBWKW-SFHVURJKSA-N 1 1 470.643 3.014 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001304192250 1067243102 /nfs/dbraw/zinc/24/31/02/1067243102.db2.gz NZPYFMUGQRZKCB-ICSRJNTNSA-N 1 1 484.670 3.403 20 0 JGADMO CSC1(Cn2c(C3CCCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)CCOCC1 ZINC001302611588 1067245398 /nfs/dbraw/zinc/24/53/98/1067245398.db2.gz HVMGUVVSOZGOOS-UHFFFAOYSA-N 1 1 451.681 3.395 20 0 JGADMO Cc1cc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2n1 ZINC001304195643 1067245545 /nfs/dbraw/zinc/24/55/45/1067245545.db2.gz FTGKTIMEXYCGIH-OAQYLSRUSA-N 1 1 465.646 3.299 20 0 JGADMO Cc1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)no1 ZINC001304198567 1067248707 /nfs/dbraw/zinc/24/87/07/1067248707.db2.gz HKPWHKKTLIOWKY-PKOBYXMFSA-N 1 1 472.565 3.458 20 0 JGADMO Cc1cc(CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@H+](C)C(C)C)no1 ZINC001304203805 1067251036 /nfs/dbraw/zinc/25/10/36/1067251036.db2.gz BXRUOPSPMUGQPB-UHFFFAOYSA-N 1 1 467.622 3.115 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302627290 1067257227 /nfs/dbraw/zinc/25/72/27/1067257227.db2.gz IOJANNBHDDBYHI-HSZRJFAPSA-N 1 1 454.663 3.471 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302627290 1067257232 /nfs/dbraw/zinc/25/72/32/1067257232.db2.gz IOJANNBHDDBYHI-HSZRJFAPSA-N 1 1 454.663 3.471 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302627290 1067257236 /nfs/dbraw/zinc/25/72/36/1067257236.db2.gz IOJANNBHDDBYHI-HSZRJFAPSA-N 1 1 454.663 3.471 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302626953 1067257343 /nfs/dbraw/zinc/25/73/43/1067257343.db2.gz AMGRCLZEGKEAHX-FQEVSTJZSA-N 1 1 477.698 3.121 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302626953 1067257346 /nfs/dbraw/zinc/25/73/46/1067257346.db2.gz AMGRCLZEGKEAHX-FQEVSTJZSA-N 1 1 477.698 3.121 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302626953 1067257352 /nfs/dbraw/zinc/25/73/52/1067257352.db2.gz AMGRCLZEGKEAHX-FQEVSTJZSA-N 1 1 477.698 3.121 20 0 JGADMO CC(C)c1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302627755 1067257906 /nfs/dbraw/zinc/25/79/06/1067257906.db2.gz KJQDZPVWGQGVPC-UHFFFAOYSA-N 1 1 455.647 3.334 20 0 JGADMO CC(C)c1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302627755 1067257916 /nfs/dbraw/zinc/25/79/16/1067257916.db2.gz KJQDZPVWGQGVPC-UHFFFAOYSA-N 1 1 455.647 3.334 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001302628177 1067258363 /nfs/dbraw/zinc/25/83/63/1067258363.db2.gz KRMVKSNUFCLIRY-FGZHOGPDSA-N 1 1 476.616 3.468 20 0 JGADMO CC(C)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302629529 1067259588 /nfs/dbraw/zinc/25/95/88/1067259588.db2.gz PKJQNCGZJODNPO-FPOVZHCZSA-N 1 1 451.681 3.317 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302633731 1067263060 /nfs/dbraw/zinc/26/30/60/1067263060.db2.gz GOGILVCXEXSYGU-YLJYHZDGSA-N 1 1 460.026 3.398 20 0 JGADMO CC(C)c1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302638709 1067268306 /nfs/dbraw/zinc/26/83/06/1067268306.db2.gz PNKDACZFKCIDPV-QHCPKHFHSA-N 1 1 473.637 3.352 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304232449 1067270178 /nfs/dbraw/zinc/27/01/78/1067270178.db2.gz QYGOBSOHYFZDAS-NBGIEHNGSA-N 1 1 492.064 3.181 20 0 JGADMO Cc1cc(F)cc2c1CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC001304233461 1067272130 /nfs/dbraw/zinc/27/21/30/1067272130.db2.gz DKYINOYMQSKXNC-UTKZUKDTSA-N 1 1 492.665 3.019 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302654294 1067281999 /nfs/dbraw/zinc/28/19/99/1067281999.db2.gz GBQBNLVXGWYCQP-NHCUHLMSSA-N 1 1 478.682 3.380 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302654322 1067282102 /nfs/dbraw/zinc/28/21/02/1067282102.db2.gz GQGIHLPCBFTRFG-GOTSBHOMSA-N 1 1 482.673 3.148 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302654842 1067282907 /nfs/dbraw/zinc/28/29/07/1067282907.db2.gz MNJKQKYBSYFWLB-XMMPIXPASA-N 1 1 495.716 3.322 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(-c3cccn3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001304249350 1067284965 /nfs/dbraw/zinc/28/49/65/1067284965.db2.gz GNJLUYUCLVYPED-UHFFFAOYSA-N 1 1 465.646 3.133 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(-c3cccn3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304249350 1067284973 /nfs/dbraw/zinc/28/49/73/1067284973.db2.gz GNJLUYUCLVYPED-UHFFFAOYSA-N 1 1 465.646 3.133 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(-c3cccn3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304249350 1067284979 /nfs/dbraw/zinc/28/49/79/1067284979.db2.gz GNJLUYUCLVYPED-UHFFFAOYSA-N 1 1 465.646 3.133 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H](C)Oc2cccc(C)c2)n1 ZINC001304251577 1067286348 /nfs/dbraw/zinc/28/63/48/1067286348.db2.gz CFXGSWUSFMYYJG-HSZRJFAPSA-N 1 1 495.672 3.463 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H](C)Oc2cccc(C)c2)n1 ZINC001304251577 1067286353 /nfs/dbraw/zinc/28/63/53/1067286353.db2.gz CFXGSWUSFMYYJG-HSZRJFAPSA-N 1 1 495.672 3.463 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001302660794 1067287932 /nfs/dbraw/zinc/28/79/32/1067287932.db2.gz ZVVFFHKSUSFKIA-QGZVFWFLSA-N 1 1 453.616 3.234 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302661204 1067288285 /nfs/dbraw/zinc/28/82/85/1067288285.db2.gz SFRPMCVTHPTBFV-LEWJYISDSA-N 1 1 480.723 3.353 20 0 JGADMO Cc1cccc(O[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304254447 1067289399 /nfs/dbraw/zinc/28/93/99/1067289399.db2.gz RZXXWCQSGNVFDN-BJESRGMDSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1cccc(O[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304254447 1067289408 /nfs/dbraw/zinc/28/94/08/1067289408.db2.gz RZXXWCQSGNVFDN-BJESRGMDSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC001304260697 1067295809 /nfs/dbraw/zinc/29/58/09/1067295809.db2.gz VXYYWSNIXFIZRJ-HSZRJFAPSA-N 1 1 482.673 3.248 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001302673170 1067298420 /nfs/dbraw/zinc/29/84/20/1067298420.db2.gz BSQBKCKPZGSEIK-IBGZPJMESA-N 1 1 464.536 3.211 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001302673141 1067298514 /nfs/dbraw/zinc/29/85/14/1067298514.db2.gz AWNOWQMJNSLUKN-UHFFFAOYSA-N 1 1 456.610 3.306 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001304268178 1067301495 /nfs/dbraw/zinc/30/14/95/1067301495.db2.gz GORGFHFFKCODHX-RTBURBONSA-N 1 1 454.619 3.083 20 0 JGADMO Cc1ccc([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001304269443 1067303879 /nfs/dbraw/zinc/30/38/79/1067303879.db2.gz BZOLXVAMTUSWPH-RBBKRZOGSA-N 1 1 468.646 3.136 20 0 JGADMO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302679336 1067305333 /nfs/dbraw/zinc/30/53/33/1067305333.db2.gz KBKVFLWLUMOMKZ-FGZHOGPDSA-N 1 1 473.710 3.091 20 0 JGADMO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302679340 1067305567 /nfs/dbraw/zinc/30/55/67/1067305567.db2.gz KBKVFLWLUMOMKZ-YADHBBJMSA-N 1 1 473.710 3.091 20 0 JGADMO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302679338 1067305631 /nfs/dbraw/zinc/30/56/31/1067305631.db2.gz KBKVFLWLUMOMKZ-VXKWHMMOSA-N 1 1 473.710 3.091 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302681238 1067306846 /nfs/dbraw/zinc/30/68/46/1067306846.db2.gz JUQJUCDYJSGJNH-IBGZPJMESA-N 1 1 464.705 3.467 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302681238 1067306855 /nfs/dbraw/zinc/30/68/55/1067306855.db2.gz JUQJUCDYJSGJNH-IBGZPJMESA-N 1 1 464.705 3.467 20 0 JGADMO Cc1ccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCN(CCOC(C)C)CC2)[NH+](C)C)cc1 ZINC001304271855 1067307672 /nfs/dbraw/zinc/30/76/72/1067307672.db2.gz DIXKPKCZDBCSOC-XMMPIXPASA-N 1 1 465.646 3.432 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001304273648 1067310105 /nfs/dbraw/zinc/31/01/05/1067310105.db2.gz KBZPSQCWZXHNJG-UXHICEINSA-N 1 1 468.646 3.473 20 0 JGADMO CC(C)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302685921 1067311283 /nfs/dbraw/zinc/31/12/83/1067311283.db2.gz UNSVXLOYOHBDIC-SFHVURJKSA-N 1 1 482.460 3.277 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302688354 1067312693 /nfs/dbraw/zinc/31/26/93/1067312693.db2.gz BKWDQCFRMGSAKR-HSZRJFAPSA-N 1 1 484.689 3.085 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302689543 1067314208 /nfs/dbraw/zinc/31/42/08/1067314208.db2.gz MFMAQAFVNSUPOA-NRFANRHFSA-N 1 1 493.622 3.292 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001302690108 1067315238 /nfs/dbraw/zinc/31/52/38/1067315238.db2.gz PQHMGGNHOKFUPW-QGZVFWFLSA-N 1 1 482.551 3.475 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302691846 1067317732 /nfs/dbraw/zinc/31/77/32/1067317732.db2.gz GKKKOQGZRLDCJJ-JOCHJYFZSA-N 1 1 489.064 3.141 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001302692552 1067318276 /nfs/dbraw/zinc/31/82/76/1067318276.db2.gz LAHPWMQHPSETRJ-HXUWFJFHSA-N 1 1 462.639 3.102 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302695011 1067320313 /nfs/dbraw/zinc/32/03/13/1067320313.db2.gz DDAMICGCFORKOX-QRWLVFNGSA-N 1 1 484.439 3.245 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302695009 1067320489 /nfs/dbraw/zinc/32/04/89/1067320489.db2.gz DDAMICGCFORKOX-FOIQADDNSA-N 1 1 484.439 3.245 20 0 JGADMO CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001302697758 1067322727 /nfs/dbraw/zinc/32/27/27/1067322727.db2.gz IDOCMITYHDXDDC-ISKFKSNPSA-N 1 1 454.663 3.328 20 0 JGADMO CC(C)c1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302697297 1067322930 /nfs/dbraw/zinc/32/29/30/1067322930.db2.gz BJGAJOAYXAUZSK-QFIPXVFZSA-N 1 1 488.702 3.174 20 0 JGADMO CC(C)c1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001302697670 1067322987 /nfs/dbraw/zinc/32/29/87/1067322987.db2.gz FHTZFVOWFGURDF-UHFFFAOYSA-N 1 1 460.589 3.367 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCOc1ncccc1F ZINC001302698213 1067323497 /nfs/dbraw/zinc/32/34/97/1067323497.db2.gz JJVKRGHDMJJZMZ-UHFFFAOYSA-N 1 1 454.550 3.216 20 0 JGADMO CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302698686 1067323725 /nfs/dbraw/zinc/32/37/25/1067323725.db2.gz MCVRFBFYOLHGMN-GIWBLDEGSA-N 1 1 488.702 3.172 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304283339 1067324474 /nfs/dbraw/zinc/32/44/74/1067324474.db2.gz SEHYIAUNDDGXBA-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC3CCOCC3)n2CCC[NH+]2CCOCC2)c1 ZINC001304283409 1067324554 /nfs/dbraw/zinc/32/45/54/1067324554.db2.gz TXGLWQZMLFJDSR-UHFFFAOYSA-N 1 1 457.619 3.059 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCOC2)c1 ZINC001304283846 1067325094 /nfs/dbraw/zinc/32/50/94/1067325094.db2.gz MSAUYZVUGHYUTG-QFIPXVFZSA-N 1 1 471.646 3.305 20 0 JGADMO CSC[C@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302702002 1067326076 /nfs/dbraw/zinc/32/60/76/1067326076.db2.gz OOVKTJQTPYWHIX-NHCUHLMSSA-N 1 1 456.660 3.450 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCC[NH+]1CCOCC1 ZINC001302703980 1067326439 /nfs/dbraw/zinc/32/64/39/1067326439.db2.gz DMZLBCDSAOZRTF-HXUWFJFHSA-N 1 1 451.974 3.494 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCOC2)c1 ZINC001304287608 1067329693 /nfs/dbraw/zinc/32/96/93/1067329693.db2.gz TUVYAUKGFSTFDQ-BDTNDASRSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCOC2)c1 ZINC001304287608 1067329703 /nfs/dbraw/zinc/32/97/03/1067329703.db2.gz TUVYAUKGFSTFDQ-BDTNDASRSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001304287774 1067330459 /nfs/dbraw/zinc/33/04/59/1067330459.db2.gz KBDHIRYYJSFPEW-VXKWHMMOSA-N 1 1 489.686 3.218 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302711986 1067332941 /nfs/dbraw/zinc/33/29/41/1067332941.db2.gz JPLCEEDWSPIWHR-FYYLOGMGSA-N 1 1 451.619 3.414 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1 ZINC001302720742 1067336939 /nfs/dbraw/zinc/33/69/39/1067336939.db2.gz BFIJUCYPDOFYIF-PZJWPPBQSA-N 1 1 454.958 3.244 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001304290380 1067337218 /nfs/dbraw/zinc/33/72/18/1067337218.db2.gz FZXJIUBYMSOZCS-IFMALSPDSA-N 1 1 471.646 3.446 20 0 JGADMO COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1 ZINC001302721618 1067337361 /nfs/dbraw/zinc/33/73/61/1067337361.db2.gz GRHMPEKJAGNZIP-HXUWFJFHSA-N 1 1 451.596 3.332 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1 ZINC001302723279 1067338745 /nfs/dbraw/zinc/33/87/45/1067338745.db2.gz MDVHUCVIULLYQM-HSZRJFAPSA-N 1 1 455.624 3.103 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCS(=O)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001304291363 1067339332 /nfs/dbraw/zinc/33/93/32/1067339332.db2.gz OVQGNQGDMNOJDN-OAQYLSRUSA-N 1 1 459.660 3.307 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CC=CCC1 ZINC001302725170 1067341006 /nfs/dbraw/zinc/34/10/06/1067341006.db2.gz SVRWSBBFDBGSQE-GOSISDBHSA-N 1 1 467.643 3.032 20 0 JGADMO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001302725043 1067341055 /nfs/dbraw/zinc/34/10/55/1067341055.db2.gz MMMBDBLWEKZENH-RBUKOAKNSA-N 1 1 458.655 3.450 20 0 JGADMO CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001302725039 1067341265 /nfs/dbraw/zinc/34/12/65/1067341265.db2.gz MMMBDBLWEKZENH-MOPGFXCFSA-N 1 1 458.655 3.450 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304294455 1067343772 /nfs/dbraw/zinc/34/37/72/1067343772.db2.gz QZCURSPANCHIHC-FQEVSTJZSA-N 1 1 453.591 3.308 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302731152 1067345769 /nfs/dbraw/zinc/34/57/69/1067345769.db2.gz IYUPZSJWKBBSGY-HTAPYJJXSA-N 1 1 496.772 3.420 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC001304297591 1067346863 /nfs/dbraw/zinc/34/68/63/1067346863.db2.gz OFLDWXZRMRWNIJ-ROUUACIJSA-N 1 1 477.606 3.375 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC001304297591 1067346874 /nfs/dbraw/zinc/34/68/74/1067346874.db2.gz OFLDWXZRMRWNIJ-ROUUACIJSA-N 1 1 477.606 3.375 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302738358 1067350689 /nfs/dbraw/zinc/35/06/89/1067350689.db2.gz VTALWPRMKWHDSI-YJBOKZPZSA-N 1 1 451.413 3.381 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302738358 1067350700 /nfs/dbraw/zinc/35/07/00/1067350700.db2.gz VTALWPRMKWHDSI-YJBOKZPZSA-N 1 1 451.413 3.381 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCCNC(=O)c2occc2C)o1 ZINC001304303784 1067351702 /nfs/dbraw/zinc/35/17/02/1067351702.db2.gz BINIZAXBNRVSGH-UHFFFAOYSA-N 1 1 484.601 3.115 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCCNC(=O)c2occc2C)o1 ZINC001304303784 1067351713 /nfs/dbraw/zinc/35/17/13/1067351713.db2.gz BINIZAXBNRVSGH-UHFFFAOYSA-N 1 1 484.601 3.115 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC001304309934 1067357097 /nfs/dbraw/zinc/35/70/97/1067357097.db2.gz GMOVZUDBNBNLGP-UHFFFAOYSA-N 1 1 482.551 3.220 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CCC[N@H+](C)C(C)C)o1 ZINC001304312284 1067359833 /nfs/dbraw/zinc/35/98/33/1067359833.db2.gz UBLXRHIUIDJRSI-UHFFFAOYSA-N 1 1 470.540 3.472 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H]2C)o1 ZINC001304312348 1067359933 /nfs/dbraw/zinc/35/99/33/1067359933.db2.gz VMFUURJJMVLDEL-HNNXBMFYSA-N 1 1 468.524 3.226 20 0 JGADMO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001302762179 1067363715 /nfs/dbraw/zinc/36/37/15/1067363715.db2.gz PXJOPQBOCCUYIO-CTNGQTDRSA-N 1 1 451.681 3.317 20 0 JGADMO CSCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001302766529 1067366121 /nfs/dbraw/zinc/36/61/21/1067366121.db2.gz AORSOROFNYMYPI-XXBNENTESA-N 1 1 488.677 3.140 20 0 JGADMO CSCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001302767824 1067366704 /nfs/dbraw/zinc/36/67/04/1067366704.db2.gz QDSVGUDIGJOCQN-OAQYLSRUSA-N 1 1 464.724 3.310 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001302769349 1067367826 /nfs/dbraw/zinc/36/78/26/1067367826.db2.gz GWKIMOQFXGLSOK-GHTZIAJQSA-N 1 1 475.037 3.207 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304321852 1067368916 /nfs/dbraw/zinc/36/89/16/1067368916.db2.gz FBNDVGJRDBZRQK-BGYRXZFFSA-N 1 1 472.634 3.039 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)o1 ZINC001304322075 1067369651 /nfs/dbraw/zinc/36/96/51/1067369651.db2.gz LTQOPDNTFOORKL-QUCCMNQESA-N 1 1 488.633 3.139 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302772120 1067369868 /nfs/dbraw/zinc/36/98/68/1067369868.db2.gz JVWRTJXNDOUAFG-NQIIRXRSSA-N 1 1 466.001 3.446 20 0 JGADMO Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC001304322997 1067370724 /nfs/dbraw/zinc/37/07/24/1067370724.db2.gz QSOHMXCOKNOKPG-LJQANCHMSA-N 1 1 484.567 3.158 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001302773655 1067371358 /nfs/dbraw/zinc/37/13/58/1067371358.db2.gz HSPSVYUXKBWVMD-OFNKIYASSA-N 1 1 451.619 3.450 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCCOC(F)F)o1 ZINC001304323680 1067371508 /nfs/dbraw/zinc/37/15/08/1067371508.db2.gz GYQDXOBRISPWOW-HDICACEKSA-N 1 1 466.577 3.471 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCNC(=O)C(C)C)o1 ZINC001304324212 1067372466 /nfs/dbraw/zinc/37/24/66/1067372466.db2.gz MUDDKHGYNZJQDF-LJQANCHMSA-N 1 1 450.587 3.329 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001302775941 1067373379 /nfs/dbraw/zinc/37/33/79/1067373379.db2.gz CFRMOFJCSDOPKR-HKBOAZHASA-N 1 1 478.707 3.040 20 0 JGADMO Cc1ccc(-c2nnc(N3CCO[C@H](CNC(=O)OC(C)(C)C)C3)n2CCCn2cc[nH+]c2C)o1 ZINC001304325709 1067374637 /nfs/dbraw/zinc/37/46/37/1067374637.db2.gz JKRLNVXJTUMDKN-LJQANCHMSA-N 1 1 485.589 3.172 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCNC(=O)OC(C)(C)C)o1 ZINC001304326556 1067375657 /nfs/dbraw/zinc/37/56/57/1067375657.db2.gz VXKRWEBHZFZUAP-QGZVFWFLSA-N 1 1 474.606 3.061 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1Br ZINC001304327586 1067376266 /nfs/dbraw/zinc/37/62/66/1067376266.db2.gz IFDHWHAEDSLXOW-GOSISDBHSA-N 1 1 478.435 3.354 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CC[N@@H+]2CCOCC2(C)C)cc1Br ZINC001304328641 1067376932 /nfs/dbraw/zinc/37/69/32/1067376932.db2.gz VMCJUURRCBZRFL-KRWDZBQOSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CC[N@H+]2CCOCC2(C)C)cc1Br ZINC001304328641 1067376941 /nfs/dbraw/zinc/37/69/41/1067376941.db2.gz VMCJUURRCBZRFL-KRWDZBQOSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304336774 1067382622 /nfs/dbraw/zinc/38/26/22/1067382622.db2.gz PMUHNRCVDHAMKA-HDICACEKSA-N 1 1 460.648 3.020 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)s1 ZINC001304337516 1067383477 /nfs/dbraw/zinc/38/34/77/1067383477.db2.gz HNZWWFFUAZMUSE-YADARESESA-N 1 1 477.675 3.293 20 0 JGADMO Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCCn2cc[nH+]c2C)o1 ZINC001304343272 1067386608 /nfs/dbraw/zinc/38/66/08/1067386608.db2.gz DUEFFWZKEOVTEJ-UHFFFAOYSA-N 1 1 453.572 3.403 20 0 JGADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001304345730 1067388169 /nfs/dbraw/zinc/38/81/69/1067388169.db2.gz OVUSUEWULADHGE-NRFANRHFSA-N 1 1 461.614 3.269 20 0 JGADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC001304349324 1067390793 /nfs/dbraw/zinc/39/07/93/1067390793.db2.gz FXSSKKMYHCOAFR-UYAOXDASSA-N 1 1 488.683 3.017 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304364947 1067403298 /nfs/dbraw/zinc/40/32/98/1067403298.db2.gz JMWCUQPZHSTXBU-XLIONFOSSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001304365429 1067404192 /nfs/dbraw/zinc/40/41/92/1067404192.db2.gz LCALILVLVYTJBP-FQEVSTJZSA-N 1 1 453.566 3.056 20 0 JGADMO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001304367671 1067407533 /nfs/dbraw/zinc/40/75/33/1067407533.db2.gz OZQKJLAZKIDZLB-GOSISDBHSA-N 1 1 456.610 3.299 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001304369363 1067409324 /nfs/dbraw/zinc/40/93/24/1067409324.db2.gz PODKRDCELVQKFY-UHFFFAOYSA-N 1 1 465.621 3.374 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304369363 1067409331 /nfs/dbraw/zinc/40/93/31/1067409331.db2.gz PODKRDCELVQKFY-UHFFFAOYSA-N 1 1 465.621 3.374 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304369363 1067409336 /nfs/dbraw/zinc/40/93/36/1067409336.db2.gz PODKRDCELVQKFY-UHFFFAOYSA-N 1 1 465.621 3.374 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001304375489 1067415752 /nfs/dbraw/zinc/41/57/52/1067415752.db2.gz MWQQZMPDVWPUPO-AOMIVXANSA-N 1 1 472.609 3.178 20 0 JGADMO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001302827836 1067417651 /nfs/dbraw/zinc/41/76/51/1067417651.db2.gz WKTMIRIIVBNENI-AKHDSKFASA-N 1 1 464.680 3.475 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001304378829 1067423303 /nfs/dbraw/zinc/42/33/03/1067423303.db2.gz SXPWZCDXHMKYOX-LVCYWYKZSA-N 1 1 495.672 3.215 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001304379321 1067424349 /nfs/dbraw/zinc/42/43/49/1067424349.db2.gz JACJQQSIZJWLJU-QFIPXVFZSA-N 1 1 468.646 3.476 20 0 JGADMO CC(C)Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302840101 1067426450 /nfs/dbraw/zinc/42/64/50/1067426450.db2.gz LDZQQKZLQCXFQR-UHFFFAOYSA-N 1 1 476.069 3.231 20 0 JGADMO CC(C)Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302840101 1067426452 /nfs/dbraw/zinc/42/64/52/1067426452.db2.gz LDZQQKZLQCXFQR-UHFFFAOYSA-N 1 1 476.069 3.231 20 0 JGADMO CC(C)Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302840101 1067426457 /nfs/dbraw/zinc/42/64/57/1067426457.db2.gz LDZQQKZLQCXFQR-UHFFFAOYSA-N 1 1 476.069 3.231 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCC(C)(F)F)cc1C ZINC001304380330 1067427358 /nfs/dbraw/zinc/42/73/58/1067427358.db2.gz YUMCVHRIYAGGKU-ICSRJNTNSA-N 1 1 476.572 3.349 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC=CCC3)n2CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC001304380402 1067428489 /nfs/dbraw/zinc/42/84/89/1067428489.db2.gz ZUHSFMIXGGZXOQ-QFIPXVFZSA-N 1 1 452.603 3.150 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC(=O)NC2CC2)cc1C ZINC001304384242 1067434333 /nfs/dbraw/zinc/43/43/33/1067434333.db2.gz PSGLGMATUDUGHW-UHFFFAOYSA-N 1 1 481.645 3.127 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCNC(=O)c2ccco2)cc1C ZINC001304384728 1067435791 /nfs/dbraw/zinc/43/57/91/1067435791.db2.gz SDAWUCULMZQPJU-UHFFFAOYSA-N 1 1 493.612 3.091 20 0 JGADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC001302852502 1067437034 /nfs/dbraw/zinc/43/70/34/1067437034.db2.gz OUQNCOVNRJABSR-KTBRYMIGSA-N 1 1 456.608 3.469 20 0 JGADMO CCOC(=O)CS[C@H](CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(F)(F)F ZINC001302852787 1067437639 /nfs/dbraw/zinc/43/76/39/1067437639.db2.gz FWONBEHRRILWRG-OAHLLOKOSA-N 1 1 453.552 3.007 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCC(C)(C)C)cc1C ZINC001304385660 1067438513 /nfs/dbraw/zinc/43/85/13/1067438513.db2.gz ZLAOIVKCSUDHEB-OAQYLSRUSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCC(C)(C)C)cc1C ZINC001304385660 1067438514 /nfs/dbraw/zinc/43/85/14/1067438514.db2.gz ZLAOIVKCSUDHEB-OAQYLSRUSA-N 1 1 454.619 3.494 20 0 JGADMO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCN1CCOC[C@@H]1C ZINC001302855764 1067439145 /nfs/dbraw/zinc/43/91/45/1067439145.db2.gz VDWFKZSWFKGZIC-UPVQGACJSA-N 1 1 454.663 3.156 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccn(Cc2ccccc2)n1 ZINC001302857724 1067440597 /nfs/dbraw/zinc/44/05/97/1067440597.db2.gz XIEORQVAWQTPRG-SZPZYZBQSA-N 1 1 465.646 3.315 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccn(Cc2ccccc2)n1 ZINC001302857724 1067440600 /nfs/dbraw/zinc/44/06/00/1067440600.db2.gz XIEORQVAWQTPRG-SZPZYZBQSA-N 1 1 465.646 3.315 20 0 JGADMO CCN1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)cc2F)CC1 ZINC001302857935 1067441041 /nfs/dbraw/zinc/44/10/41/1067441041.db2.gz XPUOLFFJJLZVKG-UHFFFAOYSA-N 1 1 454.590 3.424 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1F ZINC001302862534 1067445136 /nfs/dbraw/zinc/44/51/36/1067445136.db2.gz KCRDAUFPOKBMRR-PSWRPDDJSA-N 1 1 464.674 3.265 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1F ZINC001302863116 1067445670 /nfs/dbraw/zinc/44/56/70/1067445670.db2.gz VZADKUBCFLJEGA-JOTOCRJQSA-N 1 1 458.365 3.025 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCCCO2)n1CCSC(F)(F)F ZINC001302865705 1067446658 /nfs/dbraw/zinc/44/66/58/1067446658.db2.gz DSVMDSQAPPAYEH-WBVHZDCISA-N 1 1 463.570 3.462 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCCn1cc(Br)cn1 ZINC001302867430 1067448385 /nfs/dbraw/zinc/44/83/85/1067448385.db2.gz VJJJHYCTHDWCIZ-QGZVFWFLSA-N 1 1 494.482 3.314 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001302867414 1067448429 /nfs/dbraw/zinc/44/84/29/1067448429.db2.gz VAWGPXQBHUZLML-LJQANCHMSA-N 1 1 483.661 3.407 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304389920 1067449404 /nfs/dbraw/zinc/44/94/04/1067449404.db2.gz RTHIGDFMOOIFME-HXUWFJFHSA-N 1 1 464.618 3.007 20 0 JGADMO CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001302870116 1067449898 /nfs/dbraw/zinc/44/98/98/1067449898.db2.gz XZQMQUNOLCYRCN-TZIWHRDSSA-N 1 1 495.594 3.240 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304390289 1067450120 /nfs/dbraw/zinc/45/01/20/1067450120.db2.gz UCLXRCANCUDZOA-UHFFFAOYSA-N 1 1 454.619 3.430 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304390289 1067450126 /nfs/dbraw/zinc/45/01/26/1067450126.db2.gz UCLXRCANCUDZOA-UHFFFAOYSA-N 1 1 454.619 3.430 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304393157 1067453244 /nfs/dbraw/zinc/45/32/44/1067453244.db2.gz OYAXVDMKJPASSP-HBMCJLEFSA-N 1 1 465.602 3.056 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304393157 1067453250 /nfs/dbraw/zinc/45/32/50/1067453250.db2.gz OYAXVDMKJPASSP-HBMCJLEFSA-N 1 1 465.602 3.056 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001304396167 1067457884 /nfs/dbraw/zinc/45/78/84/1067457884.db2.gz MCDIEENLDOGCPJ-OAQYLSRUSA-N 1 1 472.703 3.442 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001304396164 1067457908 /nfs/dbraw/zinc/45/79/08/1067457908.db2.gz MCDIEENLDOGCPJ-NRFANRHFSA-N 1 1 472.703 3.442 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001304396537 1067458278 /nfs/dbraw/zinc/45/82/78/1067458278.db2.gz HORKMTBRFCFBIJ-FQEVSTJZSA-N 1 1 464.614 3.474 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302878475 1067460630 /nfs/dbraw/zinc/46/06/30/1067460630.db2.gz FZJXWEQOISQZCC-UXHICEINSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302878475 1067460632 /nfs/dbraw/zinc/46/06/32/1067460632.db2.gz FZJXWEQOISQZCC-UXHICEINSA-N 1 1 478.682 3.327 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC001304399192 1067461934 /nfs/dbraw/zinc/46/19/34/1067461934.db2.gz YUZRZEYHAROVGO-UHFFFAOYSA-N 1 1 465.602 3.368 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@@H]2CCOC2)cc1C ZINC001304402838 1067464634 /nfs/dbraw/zinc/46/46/34/1067464634.db2.gz AFIDDGXJYCGUPV-XPWALMASSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@@H]2CCOC2)cc1C ZINC001304402838 1067464638 /nfs/dbraw/zinc/46/46/38/1067464638.db2.gz AFIDDGXJYCGUPV-XPWALMASSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001304403437 1067465737 /nfs/dbraw/zinc/46/57/37/1067465737.db2.gz IWDICZIEWLPVJJ-RJGXRXQPSA-N 1 1 470.662 3.195 20 0 JGADMO CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302883872 1067465713 /nfs/dbraw/zinc/46/57/13/1067465713.db2.gz FOWGTWADWQMRLF-QHCPKHFHSA-N 1 1 455.647 3.200 20 0 JGADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CC(=O)NCC(F)F ZINC001302889448 1067469189 /nfs/dbraw/zinc/46/91/89/1067469189.db2.gz MVCPDLZIAJLTLG-SFHVURJKSA-N 1 1 454.610 3.339 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001302889915 1067469508 /nfs/dbraw/zinc/46/95/08/1067469508.db2.gz ZRWSZWFTKSDHHJ-AZUAARDMSA-N 1 1 484.649 3.301 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001304406981 1067471075 /nfs/dbraw/zinc/47/10/75/1067471075.db2.gz LGEKZCWSIFBWHX-ACRUOGEOSA-N 1 1 459.660 3.343 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001304407223 1067472073 /nfs/dbraw/zinc/47/20/73/1067472073.db2.gz YYMRTCXOBYZVPR-FCHUYYIVSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001304408118 1067472922 /nfs/dbraw/zinc/47/29/22/1067472922.db2.gz DFSWPVQHDIOQDC-UHFFFAOYSA-N 1 1 454.619 3.132 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCOC(C)(C)C)cc1 ZINC001304409039 1067474370 /nfs/dbraw/zinc/47/43/70/1067474370.db2.gz XDFILFQGJRSSKB-RUZDIDTESA-N 1 1 457.619 3.282 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCOC(C)C)cc1C ZINC001304409630 1067475328 /nfs/dbraw/zinc/47/53/28/1067475328.db2.gz CPLGEDCMCBAJEL-JOCHJYFZSA-N 1 1 457.619 3.057 20 0 JGADMO CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302896689 1067477884 /nfs/dbraw/zinc/47/78/84/1067477884.db2.gz MZOOFQMTOUPTNC-UHFFFAOYSA-N 1 1 469.556 3.256 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304412780 1067481840 /nfs/dbraw/zinc/48/18/40/1067481840.db2.gz NLJBJIRNIOTEEY-IRLDBZIGSA-N 1 1 468.646 3.296 20 0 JGADMO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302900697 1067483532 /nfs/dbraw/zinc/48/35/32/1067483532.db2.gz CNLNGHJLJCZKJL-OAQYLSRUSA-N 1 1 462.683 3.203 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(F)cc3Br)n2CC2(C)COC2)C[C@H](C)O1 ZINC001302901590 1067485349 /nfs/dbraw/zinc/48/53/49/1067485349.db2.gz MPOJUOHSYRZLHE-IYBDPMFKSA-N 1 1 496.425 3.429 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(F)cc3Br)n2CC2(C)COC2)C[C@H](C)O1 ZINC001302901590 1067485354 /nfs/dbraw/zinc/48/53/54/1067485354.db2.gz MPOJUOHSYRZLHE-IYBDPMFKSA-N 1 1 496.425 3.429 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC001302901837 1067485956 /nfs/dbraw/zinc/48/59/56/1067485956.db2.gz RBCNGHCEOWEOQU-KDURUIRLSA-N 1 1 498.031 3.367 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC001302901837 1067485960 /nfs/dbraw/zinc/48/59/60/1067485960.db2.gz RBCNGHCEOWEOQU-KDURUIRLSA-N 1 1 498.031 3.367 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(C4CCCC4)n3CCSCCCO)CC2)C[C@H](C)O1 ZINC001302901799 1067486016 /nfs/dbraw/zinc/48/60/16/1067486016.db2.gz PWSFSGLSOGGTFG-BGYRXZFFSA-N 1 1 465.708 3.377 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(COc4ccc(F)cc4)n3CC(C)(C)O)CC2)C[C@H](C)O1 ZINC001302901868 1067486033 /nfs/dbraw/zinc/48/60/33/1067486033.db2.gz SCKWBISIIKWIRX-KDURUIRLSA-N 1 1 475.609 3.093 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(Cc2ccccn2)n1CCSC(F)(F)F ZINC001302901940 1067486378 /nfs/dbraw/zinc/48/63/78/1067486378.db2.gz UVNGQFOQWFNZCQ-INIZCTEOSA-N 1 1 470.565 3.206 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1 ZINC001302902079 1067486471 /nfs/dbraw/zinc/48/64/71/1067486471.db2.gz BCDDTOHOZDJVKJ-INIZCTEOSA-N 1 1 463.577 3.332 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC2(O)CCOCC2)cc1 ZINC001304415698 1067486735 /nfs/dbraw/zinc/48/67/35/1067486735.db2.gz HGQVOMKNTLYTPE-UHFFFAOYSA-N 1 1 457.619 3.018 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2COCCO2)cc1C ZINC001304416481 1067488731 /nfs/dbraw/zinc/48/87/31/1067488731.db2.gz NEDJQQGYCJELFY-QFIPXVFZSA-N 1 1 457.619 3.200 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3F)n2CCN(C)CC(F)(F)F)C[C@H](C)O1 ZINC001302904862 1067489095 /nfs/dbraw/zinc/48/90/95/1067489095.db2.gz BJHVWWZOYNZFLJ-CALCHBBNSA-N 1 1 472.531 3.124 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3F)n2CCN(C)CC(F)(F)F)C[C@H](C)O1 ZINC001302904862 1067489100 /nfs/dbraw/zinc/48/91/00/1067489100.db2.gz BJHVWWZOYNZFLJ-CALCHBBNSA-N 1 1 472.531 3.124 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001304416999 1067489231 /nfs/dbraw/zinc/48/92/31/1067489231.db2.gz RVZVIMHCKPHSMP-DENIHFKCSA-N 1 1 475.659 3.052 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCC(F)(F)F)C[C@H](C)O1 ZINC001302905357 1067490281 /nfs/dbraw/zinc/49/02/81/1067490281.db2.gz MBTRGLVUPTWLGB-CALCHBBNSA-N 1 1 493.534 3.203 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCC(F)(F)F)C[C@H](C)O1 ZINC001302905357 1067490288 /nfs/dbraw/zinc/49/02/88/1067490288.db2.gz MBTRGLVUPTWLGB-CALCHBBNSA-N 1 1 493.534 3.203 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC001302905310 1067490490 /nfs/dbraw/zinc/49/04/90/1067490490.db2.gz KOAQKKSXFQFHJH-WSTZPKSXSA-N 1 1 497.562 3.469 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC001302905310 1067490493 /nfs/dbraw/zinc/49/04/93/1067490493.db2.gz KOAQKKSXFQFHJH-WSTZPKSXSA-N 1 1 497.562 3.469 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3Br)n2CCC(C)(C)O)C[C@H](C)O1 ZINC001302906061 1067491337 /nfs/dbraw/zinc/49/13/37/1067491337.db2.gz YYVWXBNSWFAITJ-CALCHBBNSA-N 1 1 480.451 3.414 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3Br)n2CCC(C)(C)O)C[C@H](C)O1 ZINC001302906061 1067491342 /nfs/dbraw/zinc/49/13/42/1067491342.db2.gz YYVWXBNSWFAITJ-CALCHBBNSA-N 1 1 480.451 3.414 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2nccc(C(F)(F)F)n2)C[C@H](C)O1 ZINC001302906887 1067492008 /nfs/dbraw/zinc/49/20/08/1067492008.db2.gz AJXHERJYWRCWLU-CALCHBBNSA-N 1 1 483.583 3.464 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2nccc(C(F)(F)F)n2)C[C@H](C)O1 ZINC001302906887 1067492012 /nfs/dbraw/zinc/49/20/12/1067492012.db2.gz AJXHERJYWRCWLU-CALCHBBNSA-N 1 1 483.583 3.464 20 0 JGADMO CC(C)Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302908243 1067492923 /nfs/dbraw/zinc/49/29/23/1067492923.db2.gz JNZNBLFLKJVMPD-JOCHJYFZSA-N 1 1 463.667 3.142 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2cccs2)C[C@H](C)O1 ZINC001302908881 1067493545 /nfs/dbraw/zinc/49/35/45/1067493545.db2.gz MOSYCLMAHNYLTA-IXFSTUDKSA-N 1 1 475.684 3.445 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2cccs2)C[C@H](C)O1 ZINC001302908881 1067493549 /nfs/dbraw/zinc/49/35/49/1067493549.db2.gz MOSYCLMAHNYLTA-IXFSTUDKSA-N 1 1 475.684 3.445 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2Cc2nccn2C(F)F)C[C@H](C)O1 ZINC001302909036 1067494075 /nfs/dbraw/zinc/49/40/75/1067494075.db2.gz PSNKGUKHXRYYOZ-IYBDPMFKSA-N 1 1 495.525 3.332 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2Cc2nccn2C(F)F)C[C@H](C)O1 ZINC001302909036 1067494080 /nfs/dbraw/zinc/49/40/80/1067494080.db2.gz PSNKGUKHXRYYOZ-IYBDPMFKSA-N 1 1 495.525 3.332 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)O)C[C@H](C)O1 ZINC001302909461 1067494548 /nfs/dbraw/zinc/49/45/48/1067494548.db2.gz UNBSXGMECWOOAK-BGYRXZFFSA-N 1 1 473.662 3.471 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)O)C[C@H](C)O1 ZINC001302909461 1067494552 /nfs/dbraw/zinc/49/45/52/1067494552.db2.gz UNBSXGMECWOOAK-BGYRXZFFSA-N 1 1 473.662 3.471 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC001304419695 1067494550 /nfs/dbraw/zinc/49/45/50/1067494550.db2.gz OZCTUHRLENYULG-VWLOTQADSA-N 1 1 484.689 3.300 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001304421726 1067497673 /nfs/dbraw/zinc/49/76/73/1067497673.db2.gz GEWSQNUAWHCTLB-RTWAWAEBSA-N 1 1 459.660 3.262 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302915583 1067499519 /nfs/dbraw/zinc/49/95/19/1067499519.db2.gz VOYNLSKJBUCINR-OYHNWAKOSA-N 1 1 484.428 3.234 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302921108 1067501937 /nfs/dbraw/zinc/50/19/37/1067501937.db2.gz VXCUNOXRKASPNZ-MZYLBHOOSA-N 1 1 452.647 3.479 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302922201 1067501958 /nfs/dbraw/zinc/50/19/58/1067501958.db2.gz BDNGCXKVNPHILD-GMAHTHKFSA-N 1 1 488.702 3.001 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302924086 1067504174 /nfs/dbraw/zinc/50/41/74/1067504174.db2.gz WRNYUAXHDXUENF-HBMCJLEFSA-N 1 1 462.683 3.105 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cnccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304427432 1067504318 /nfs/dbraw/zinc/50/43/18/1067504318.db2.gz DTKRGPBWYBBJHN-OYRHEFFESA-N 1 1 465.602 3.058 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001304427414 1067504536 /nfs/dbraw/zinc/50/45/36/1067504536.db2.gz DFDIHKZWYQESMQ-QFIPXVFZSA-N 1 1 454.619 3.317 20 0 JGADMO FC(F)(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302925743 1067505007 /nfs/dbraw/zinc/50/50/07/1067505007.db2.gz UXKKBZQBKGDJAY-CQSZACIVSA-N 1 1 492.752 3.019 20 0 JGADMO FC(F)(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302925743 1067505011 /nfs/dbraw/zinc/50/50/11/1067505011.db2.gz UXKKBZQBKGDJAY-CQSZACIVSA-N 1 1 492.752 3.019 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302928736 1067505742 /nfs/dbraw/zinc/50/57/42/1067505742.db2.gz GBSGGFODSFPREP-FUDKSRODSA-N 1 1 494.750 3.428 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302931015 1067506720 /nfs/dbraw/zinc/50/67/20/1067506720.db2.gz VQTGHULRBOTRQS-HYBUGGRVSA-N 1 1 465.708 3.468 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC(=O)NCCc1ccccc1 ZINC001302932971 1067508184 /nfs/dbraw/zinc/50/81/84/1067508184.db2.gz IBMGKZNKZFCHIO-UHFFFAOYSA-N 1 1 452.647 3.290 20 0 JGADMO FC(F)(F)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302934691 1067508935 /nfs/dbraw/zinc/50/89/35/1067508935.db2.gz JLQQJAIQTJWRHJ-AWEZNQCLSA-N 1 1 474.325 3.428 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001302937057 1067510226 /nfs/dbraw/zinc/51/02/26/1067510226.db2.gz HWZQOUPRTJVGKQ-NRFANRHFSA-N 1 1 470.691 3.287 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302937074 1067510344 /nfs/dbraw/zinc/51/03/44/1067510344.db2.gz IGEZWRIXNHLQKQ-UHFFFAOYSA-N 1 1 493.578 3.073 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302937074 1067510348 /nfs/dbraw/zinc/51/03/48/1067510348.db2.gz IGEZWRIXNHLQKQ-UHFFFAOYSA-N 1 1 493.578 3.073 20 0 JGADMO FC(F)(F)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302937692 1067510934 /nfs/dbraw/zinc/51/09/34/1067510934.db2.gz OWNHRZPKYITXID-UHFFFAOYSA-N 1 1 472.943 3.005 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001304433333 1067512264 /nfs/dbraw/zinc/51/22/64/1067512264.db2.gz DIMNVYXZAQXZPE-NHCUHLMSSA-N 1 1 459.660 3.462 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302940298 1067514612 /nfs/dbraw/zinc/51/46/12/1067514612.db2.gz YTUCMTRQNXORDH-NRFANRHFSA-N 1 1 456.635 3.400 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302943343 1067516413 /nfs/dbraw/zinc/51/64/13/1067516413.db2.gz DYQAEUODGICJJH-DEOSSOPVSA-N 1 1 466.674 3.488 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302945593 1067518796 /nfs/dbraw/zinc/51/87/96/1067518796.db2.gz JBRIBCPHXNEGOJ-NHCUHLMSSA-N 1 1 478.682 3.159 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001302946646 1067519807 /nfs/dbraw/zinc/51/98/07/1067519807.db2.gz QAUMKYYLTNPPPM-RDGATRHJSA-N 1 1 481.689 3.090 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCO[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304441453 1067522189 /nfs/dbraw/zinc/52/21/89/1067522189.db2.gz VJJQXLNZNMLANZ-RBBKRZOGSA-N 1 1 459.660 3.461 20 0 JGADMO FC(F)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302953418 1067525340 /nfs/dbraw/zinc/52/53/40/1067525340.db2.gz XIVXRGBDBGCALZ-CQSZACIVSA-N 1 1 462.328 3.054 20 0 JGADMO FC(F)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302953418 1067525346 /nfs/dbraw/zinc/52/53/46/1067525346.db2.gz XIVXRGBDBGCALZ-CQSZACIVSA-N 1 1 462.328 3.054 20 0 JGADMO Cc1cccc(C)c1NC(=O)Cn1c(CC(C)C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304447274 1067528412 /nfs/dbraw/zinc/52/84/12/1067528412.db2.gz POEYUDXERSHHEJ-OYRHEFFESA-N 1 1 456.635 3.278 20 0 JGADMO Cc1cccc(C)c1NC(=O)Cn1c(CC(C)C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304447274 1067528420 /nfs/dbraw/zinc/52/84/20/1067528420.db2.gz POEYUDXERSHHEJ-OYRHEFFESA-N 1 1 456.635 3.278 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302957502 1067528864 /nfs/dbraw/zinc/52/88/64/1067528864.db2.gz QNPDBKSTFKAHKJ-PZJWPPBQSA-N 1 1 486.627 3.440 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC(F)(F)Br ZINC001302957641 1067529262 /nfs/dbraw/zinc/52/92/62/1067529262.db2.gz RQCXACNBOJZLHI-CQSZACIVSA-N 1 1 450.372 3.154 20 0 JGADMO Cc1cccc(C)c1OCCn1c([C@H]2CCCO2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304449725 1067531026 /nfs/dbraw/zinc/53/10/26/1067531026.db2.gz PTAXZQZZKXWFDQ-OAQYLSRUSA-N 1 1 457.619 3.372 20 0 JGADMO Cc1cccc(C)c1OCCn1c([C@H]2CCCO2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304449725 1067531035 /nfs/dbraw/zinc/53/10/35/1067531035.db2.gz PTAXZQZZKXWFDQ-OAQYLSRUSA-N 1 1 457.619 3.372 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302961109 1067532211 /nfs/dbraw/zinc/53/22/11/1067532211.db2.gz INCPEWIALRHVRB-LADGPHEKSA-N 1 1 454.663 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302961109 1067532220 /nfs/dbraw/zinc/53/22/20/1067532220.db2.gz INCPEWIALRHVRB-LADGPHEKSA-N 1 1 454.663 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001302962034 1067533279 /nfs/dbraw/zinc/53/32/79/1067533279.db2.gz STQDUCSERBFMTC-FQEVSTJZSA-N 1 1 494.606 3.430 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001302962034 1067533287 /nfs/dbraw/zinc/53/32/87/1067533287.db2.gz STQDUCSERBFMTC-FQEVSTJZSA-N 1 1 494.606 3.430 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304453289 1067534447 /nfs/dbraw/zinc/53/44/47/1067534447.db2.gz MVMJCNYLORGQOJ-UHFFFAOYSA-N 1 1 491.640 3.451 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304453289 1067534456 /nfs/dbraw/zinc/53/44/56/1067534456.db2.gz MVMJCNYLORGQOJ-UHFFFAOYSA-N 1 1 491.640 3.451 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCC[NH+]2CCOCC2)n1 ZINC001304457722 1067538170 /nfs/dbraw/zinc/53/81/70/1067538170.db2.gz LBUHSTQBEAIDRU-UHFFFAOYSA-N 1 1 481.548 3.483 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC(=O)NC2CCCCC2)n1 ZINC001304461075 1067539823 /nfs/dbraw/zinc/53/98/23/1067539823.db2.gz ZSZMJHAZQLNQLD-OYRHEFFESA-N 1 1 483.661 3.033 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC(=O)NC2CCCCC2)n1 ZINC001304461075 1067539831 /nfs/dbraw/zinc/53/98/31/1067539831.db2.gz ZSZMJHAZQLNQLD-OYRHEFFESA-N 1 1 483.661 3.033 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001304463705 1067541718 /nfs/dbraw/zinc/54/17/18/1067541718.db2.gz GYJRNHUCZFWWDZ-WIYYLYMNSA-N 1 1 499.660 3.109 20 0 JGADMO Cc1cccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304464107 1067542562 /nfs/dbraw/zinc/54/25/62/1067542562.db2.gz JAXPRUKJWJLKGG-NHCUHLMSSA-N 1 1 461.614 3.226 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)n1 ZINC001304468459 1067546820 /nfs/dbraw/zinc/54/68/20/1067546820.db2.gz DJQQTTCHCNGTAE-UHFFFAOYSA-N 1 1 474.675 3.172 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001304474139 1067552301 /nfs/dbraw/zinc/55/23/01/1067552301.db2.gz HTVOIJUPMCJDFR-QFIPXVFZSA-N 1 1 486.617 3.104 20 0 JGADMO CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302996575 1067556107 /nfs/dbraw/zinc/55/61/07/1067556107.db2.gz YIEMIYGNBRGMQM-FQRUVTKNSA-N 1 1 490.693 3.332 20 0 JGADMO CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302996579 1067556160 /nfs/dbraw/zinc/55/61/60/1067556160.db2.gz YIEMIYGNBRGMQM-IBVKSMDESA-N 1 1 490.693 3.332 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001304479280 1067558344 /nfs/dbraw/zinc/55/83/44/1067558344.db2.gz WAEGNBLKAMWOQM-HXUWFJFHSA-N 1 1 464.618 3.327 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001304479279 1067558390 /nfs/dbraw/zinc/55/83/90/1067558390.db2.gz WAEGNBLKAMWOQM-FQEVSTJZSA-N 1 1 464.618 3.327 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCC(=O)NC(C)(C)C)n1 ZINC001304480802 1067560398 /nfs/dbraw/zinc/56/03/98/1067560398.db2.gz VMYFOWFLJADCAR-UHFFFAOYSA-N 1 1 479.604 3.415 20 0 JGADMO Cc1cccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001304484214 1067563642 /nfs/dbraw/zinc/56/36/42/1067563642.db2.gz UJVDZLCFZSVWHE-WFXMLNOXSA-N 1 1 460.648 3.021 20 0 JGADMO Cc1cccc(-c2nnc(N3CCSCC3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)n1 ZINC001304485909 1067564496 /nfs/dbraw/zinc/56/44/96/1067564496.db2.gz SABJWBGBXCAJEH-UHFFFAOYSA-N 1 1 489.690 3.438 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303015254 1067569353 /nfs/dbraw/zinc/56/93/53/1067569353.db2.gz FRVXFMQVCAUUTG-ZEQKJWHPSA-N 1 1 473.637 3.496 20 0 JGADMO Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC001304495280 1067571488 /nfs/dbraw/zinc/57/14/88/1067571488.db2.gz AOXPZJBTWMOIHE-GIWBLDEGSA-N 1 1 488.702 3.336 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC001304495460 1067571725 /nfs/dbraw/zinc/57/17/25/1067571725.db2.gz IFSUAGAVEKGCNT-DNQXCXABSA-N 1 1 495.716 3.415 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001304502151 1067576341 /nfs/dbraw/zinc/57/63/41/1067576341.db2.gz DHOFQJPKJAYMOP-TZIWHRDSSA-N 1 1 475.659 3.052 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001304502151 1067576350 /nfs/dbraw/zinc/57/63/50/1067576350.db2.gz DHOFQJPKJAYMOP-TZIWHRDSSA-N 1 1 475.659 3.052 20 0 JGADMO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303041128 1067585852 /nfs/dbraw/zinc/58/58/52/1067585852.db2.gz MLMKFGCJAZGPQE-KRWDZBQOSA-N 1 1 453.429 3.365 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCCCCS(C)(=O)=O)c1 ZINC001304511881 1067588296 /nfs/dbraw/zinc/58/82/96/1067588296.db2.gz JEWHWICRPSHCCA-OAQYLSRUSA-N 1 1 475.659 3.055 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304512287 1067588870 /nfs/dbraw/zinc/58/88/70/1067588870.db2.gz HNDXKYSMLAFAFQ-JOCHJYFZSA-N 1 1 457.619 3.138 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304512288 1067588936 /nfs/dbraw/zinc/58/89/36/1067588936.db2.gz HNDXKYSMLAFAFQ-QFIPXVFZSA-N 1 1 457.619 3.138 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304513118 1067590384 /nfs/dbraw/zinc/59/03/84/1067590384.db2.gz PEMKOXRTLHKXOE-SVFBPWRDSA-N 1 1 497.562 3.432 20 0 JGADMO CC(C)CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303050175 1067590828 /nfs/dbraw/zinc/59/08/28/1067590828.db2.gz WOARSKYLHSWXDP-BGYRXZFFSA-N 1 1 481.645 3.174 20 0 JGADMO Cc1ccccc1C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001304522089 1067597202 /nfs/dbraw/zinc/59/72/02/1067597202.db2.gz NSWYFHJAVDIMNK-HXUWFJFHSA-N 1 1 488.702 3.239 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCC(=O)NC(C)(C)C ZINC001304524587 1067598202 /nfs/dbraw/zinc/59/82/02/1067598202.db2.gz IYQKTFYNQCYZFO-UHFFFAOYSA-N 1 1 470.662 3.353 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CCc2nccs2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304526757 1067599377 /nfs/dbraw/zinc/59/93/77/1067599377.db2.gz SVBZLAGUJQUJFJ-NRFANRHFSA-N 1 1 481.670 3.332 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304531840 1067603257 /nfs/dbraw/zinc/60/32/57/1067603257.db2.gz ZUFBKUMDPIWTME-RTWAWAEBSA-N 1 1 484.645 3.325 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304532923 1067603934 /nfs/dbraw/zinc/60/39/34/1067603934.db2.gz AHKDANKBFTUWCP-YADHBBJMSA-N 1 1 482.673 3.353 20 0 JGADMO CC(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303069827 1067604565 /nfs/dbraw/zinc/60/45/65/1067604565.db2.gz UTSOHVMUTNKRQV-TZIWHRDSSA-N 1 1 462.664 3.035 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001304534998 1067605338 /nfs/dbraw/zinc/60/53/38/1067605338.db2.gz LCONEYFWYQOQSI-UHFFFAOYSA-N 1 1 451.619 3.146 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001304535268 1067605775 /nfs/dbraw/zinc/60/57/75/1067605775.db2.gz OUFZBEAICORJLG-OAQYLSRUSA-N 1 1 480.579 3.437 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001304536056 1067606620 /nfs/dbraw/zinc/60/66/20/1067606620.db2.gz WWLKFLSGEVZHRC-NHCUHLMSSA-N 1 1 484.645 3.468 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304536056 1067606623 /nfs/dbraw/zinc/60/66/23/1067606623.db2.gz WWLKFLSGEVZHRC-NHCUHLMSSA-N 1 1 484.645 3.468 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304536668 1067607451 /nfs/dbraw/zinc/60/74/51/1067607451.db2.gz CRMVTXAPUVAMIF-ZEQRLZLVSA-N 1 1 484.689 3.300 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCCNC(=O)C(C)C)CC1 ZINC001304536600 1067607495 /nfs/dbraw/zinc/60/74/95/1067607495.db2.gz CKKLZOSEEDEKID-UHFFFAOYSA-N 1 1 492.672 3.088 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304536604 1067607503 /nfs/dbraw/zinc/60/75/03/1067607503.db2.gz CRMVTXAPUVAMIF-DNQXCXABSA-N 1 1 484.689 3.300 20 0 JGADMO CCOC(=O)c1sc([C@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)C2)nc1C ZINC001303075683 1067609359 /nfs/dbraw/zinc/60/93/59/1067609359.db2.gz HREDETURBMTRAJ-ICSRJNTNSA-N 1 1 457.596 3.142 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001304541080 1067611788 /nfs/dbraw/zinc/61/17/88/1067611788.db2.gz ZRAZCGYBPJPMHR-SFTDATJTSA-N 1 1 484.645 3.204 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC(F)(F)F)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304547323 1067616424 /nfs/dbraw/zinc/61/64/24/1067616424.db2.gz ULQIONIOPZSONF-UHFFFAOYSA-N 1 1 452.569 3.449 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304549918 1067619298 /nfs/dbraw/zinc/61/92/98/1067619298.db2.gz SHXCKVNLKKTBLV-QFIPXVFZSA-N 1 1 468.690 3.455 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001304557336 1067626058 /nfs/dbraw/zinc/62/60/58/1067626058.db2.gz RWGPYWWHWBAUDB-HSZRJFAPSA-N 1 1 496.700 3.278 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCN(C)CC(F)(F)F ZINC001304559388 1067628899 /nfs/dbraw/zinc/62/88/99/1067628899.db2.gz KXBXDQOJFWIYOX-HXUWFJFHSA-N 1 1 494.606 3.361 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[S@@](=O)C(C)(C)C ZINC001304560524 1067630133 /nfs/dbraw/zinc/63/01/33/1067630133.db2.gz SVLJBDMQDSWTBM-JTMIDMFHSA-N 1 1 487.714 3.414 20 0 JGADMO Cc1ccccc1CN1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304569783 1067637387 /nfs/dbraw/zinc/63/73/87/1067637387.db2.gz BVAOZQGFNKVTNV-QHCPKHFHSA-N 1 1 454.663 3.391 20 0 JGADMO Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCCN2CCOCC2)CC1 ZINC001304569791 1067637399 /nfs/dbraw/zinc/63/73/99/1067637399.db2.gz CGRZLBLSRMCNQF-UHFFFAOYSA-N 1 1 454.663 3.319 20 0 JGADMO Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001304572439 1067641017 /nfs/dbraw/zinc/64/10/17/1067641017.db2.gz GXJYCHKYIOWVGF-YADHBBJMSA-N 1 1 482.673 3.385 20 0 JGADMO Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001304575187 1067643870 /nfs/dbraw/zinc/64/38/70/1067643870.db2.gz WSLPQUQSAMTTKF-NRFANRHFSA-N 1 1 454.619 3.212 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303108915 1067646460 /nfs/dbraw/zinc/64/64/60/1067646460.db2.gz AZUCHPAHLVODDX-GMAHTHKFSA-N 1 1 463.667 3.170 20 0 JGADMO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303109540 1067647397 /nfs/dbraw/zinc/64/73/97/1067647397.db2.gz JDZXKQFLFFXWMO-FQEVSTJZSA-N 1 1 455.607 3.053 20 0 JGADMO Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304579146 1067647707 /nfs/dbraw/zinc/64/77/07/1067647707.db2.gz FUNRGTWGGWJTRK-OYRHEFFESA-N 1 1 488.702 3.164 20 0 JGADMO CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303109869 1067647709 /nfs/dbraw/zinc/64/77/09/1067647709.db2.gz OBVBCPVLGLTCTJ-GOSISDBHSA-N 1 1 481.439 3.009 20 0 JGADMO CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303109869 1067647713 /nfs/dbraw/zinc/64/77/13/1067647713.db2.gz OBVBCPVLGLTCTJ-GOSISDBHSA-N 1 1 481.439 3.009 20 0 JGADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001304580198 1067649497 /nfs/dbraw/zinc/64/94/97/1067649497.db2.gz WWHNQRMJOOBAAS-IFMALSPDSA-N 1 1 488.702 3.341 20 0 JGADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001304580200 1067649512 /nfs/dbraw/zinc/64/95/12/1067649512.db2.gz WWHNQRMJOOBAAS-IRLDBZIGSA-N 1 1 488.702 3.341 20 0 JGADMO Cc1cccnc1Cn1c(COc2ccccc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304582832 1067651929 /nfs/dbraw/zinc/65/19/29/1067651929.db2.gz OUTQXZMLLCXEGN-UHFFFAOYSA-N 1 1 468.577 3.295 20 0 JGADMO Cc1cccnc1Cn1c(COc2ccccc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304582832 1067651933 /nfs/dbraw/zinc/65/19/33/1067651933.db2.gz OUTQXZMLLCXEGN-UHFFFAOYSA-N 1 1 468.577 3.295 20 0 JGADMO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@H+]3CCC[C@H](C)C3)C2)c1 ZINC001304600110 1067663503 /nfs/dbraw/zinc/66/35/03/1067663503.db2.gz ZCVWWNNQBUCSOY-FPOVZHCZSA-N 1 1 470.666 3.273 20 0 JGADMO Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001304601162 1067665407 /nfs/dbraw/zinc/66/54/07/1067665407.db2.gz UNBWFQZKHQNRAT-HXUWFJFHSA-N 1 1 484.693 3.348 20 0 JGADMO Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC001304601131 1067665489 /nfs/dbraw/zinc/66/54/89/1067665489.db2.gz SVJUGNUHGXKTCK-OAQYLSRUSA-N 1 1 470.666 3.102 20 0 JGADMO CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303129425 1067671635 /nfs/dbraw/zinc/67/16/35/1067671635.db2.gz VYKAAZSJMBEYKW-UHFFFAOYSA-N 1 1 480.499 3.412 20 0 JGADMO CC(C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001303129466 1067671708 /nfs/dbraw/zinc/67/17/08/1067671708.db2.gz PXMLXCABJJPNKF-QFIPXVFZSA-N 1 1 477.613 3.023 20 0 JGADMO O[C@@H](C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC(F)(F)F)CC1)c1ccccc1 ZINC001303135470 1067675902 /nfs/dbraw/zinc/67/59/02/1067675902.db2.gz IAEAPDNKFLSNIB-PMACEKPBSA-N 1 1 483.535 3.302 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001303138823 1067679553 /nfs/dbraw/zinc/67/95/53/1067679553.db2.gz GOMKOLRNXQPEFA-GGPKGHCWSA-N 1 1 465.689 3.417 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001303138823 1067679557 /nfs/dbraw/zinc/67/95/57/1067679557.db2.gz GOMKOLRNXQPEFA-GGPKGHCWSA-N 1 1 465.689 3.417 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001303138825 1067679631 /nfs/dbraw/zinc/67/96/31/1067679631.db2.gz GOMKOLRNXQPEFA-NSHGMRRFSA-N 1 1 465.689 3.417 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001303138825 1067679635 /nfs/dbraw/zinc/67/96/35/1067679635.db2.gz GOMKOLRNXQPEFA-NSHGMRRFSA-N 1 1 465.689 3.417 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCSCC1 ZINC001303143855 1067682352 /nfs/dbraw/zinc/68/23/52/1067682352.db2.gz JTZHDZNJSAGZGQ-HXUWFJFHSA-N 1 1 450.052 3.312 20 0 JGADMO CC(C)CN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC001303151681 1067688679 /nfs/dbraw/zinc/68/86/79/1067688679.db2.gz QCHLCMMLLHXOJD-UHFFFAOYSA-N 1 1 451.619 3.430 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)C1 ZINC001303152662 1067689103 /nfs/dbraw/zinc/68/91/03/1067689103.db2.gz AQFKBUJMNVZSIU-OAHLLOKOSA-N 1 1 470.362 3.400 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001303152822 1067689567 /nfs/dbraw/zinc/68/95/67/1067689567.db2.gz GHRRYAWWYUHUPW-RTBURBONSA-N 1 1 459.557 3.330 20 0 JGADMO Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001304630467 1067701031 /nfs/dbraw/zinc/70/10/31/1067701031.db2.gz VFECUMWTXXWWON-FQEVSTJZSA-N 1 1 467.643 3.188 20 0 JGADMO CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303167697 1067702871 /nfs/dbraw/zinc/70/28/71/1067702871.db2.gz NVHHMPPMHDUDEG-NJDAHSKKSA-N 1 1 476.666 3.206 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303172397 1067705568 /nfs/dbraw/zinc/70/55/68/1067705568.db2.gz FWBZCHIHWVQHKG-SFHVURJKSA-N 1 1 489.462 3.354 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001303172406 1067705597 /nfs/dbraw/zinc/70/55/97/1067705597.db2.gz GCHIKLKCMWSNRZ-MSOLQXFVSA-N 1 1 460.026 3.028 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC001303172507 1067705980 /nfs/dbraw/zinc/70/59/80/1067705980.db2.gz IBGWJAORKKBLMW-HXUWFJFHSA-N 1 1 483.661 3.311 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCc3ccccc32)C1 ZINC001303173269 1067707026 /nfs/dbraw/zinc/70/70/26/1067707026.db2.gz QVLKSLMUUYQRSN-QTEQDKRBSA-N 1 1 488.702 3.380 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001303173226 1067707160 /nfs/dbraw/zinc/70/71/60/1067707160.db2.gz PZYKAQTXFAELCO-MSOLQXFVSA-N 1 1 495.550 3.061 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@H](C)C2)C1 ZINC001303173545 1067707587 /nfs/dbraw/zinc/70/75/87/1067707587.db2.gz RZNDTWABFRWKNR-SFTDATJTSA-N 1 1 488.702 3.410 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@H](C)C2)C1 ZINC001303173542 1067707644 /nfs/dbraw/zinc/70/76/44/1067707644.db2.gz RZNDTWABFRWKNR-LEWJYISDSA-N 1 1 488.702 3.410 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001303174621 1067708093 /nfs/dbraw/zinc/70/80/93/1067708093.db2.gz ZKJKMIJKQRCIOL-NRFANRHFSA-N 1 1 467.662 3.403 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303178837 1067712355 /nfs/dbraw/zinc/71/23/55/1067712355.db2.gz OFJAOZGGBCMUQH-GGAORHGYSA-N 1 1 488.702 3.035 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001304650307 1067718185 /nfs/dbraw/zinc/71/81/85/1067718185.db2.gz JBCZXICWKIFAEQ-CALCHBBNSA-N 1 1 486.690 3.120 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001304653179 1067721116 /nfs/dbraw/zinc/72/11/16/1067721116.db2.gz QLGUQQLQGANXCW-HXUWFJFHSA-N 1 1 481.670 3.490 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001303189944 1067724067 /nfs/dbraw/zinc/72/40/67/1067724067.db2.gz WUOWETGLSOFMQL-OYRHEFFESA-N 1 1 453.635 3.013 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1=O ZINC001303197854 1067732793 /nfs/dbraw/zinc/73/27/93/1067732793.db2.gz ZPSYOWLUWPVKOP-GOTSBHOMSA-N 1 1 489.668 3.478 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304666716 1067734188 /nfs/dbraw/zinc/73/41/88/1067734188.db2.gz SEGGINNJVMFCKV-LJQANCHMSA-N 1 1 477.679 3.420 20 0 JGADMO Cc1nc(Cc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304667859 1067735950 /nfs/dbraw/zinc/73/59/50/1067735950.db2.gz JVLOAHKYGVCASB-PMACEKPBSA-N 1 1 487.718 3.449 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001303200877 1067736323 /nfs/dbraw/zinc/73/63/23/1067736323.db2.gz GRZVJJNDUMOXIU-IBGZPJMESA-N 1 1 462.664 3.250 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001303200613 1067736532 /nfs/dbraw/zinc/73/65/32/1067736532.db2.gz CWNVSCIFDRTGQY-ZEQRLZLVSA-N 1 1 454.663 3.469 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001303200613 1067736536 /nfs/dbraw/zinc/73/65/36/1067736536.db2.gz CWNVSCIFDRTGQY-ZEQRLZLVSA-N 1 1 454.663 3.469 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1=O ZINC001303202372 1067738576 /nfs/dbraw/zinc/73/85/76/1067738576.db2.gz XWLJEHDTUKNHIS-LEWJYISDSA-N 1 1 475.037 3.391 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cs1 ZINC001304670233 1067739237 /nfs/dbraw/zinc/73/92/37/1067739237.db2.gz OGZRXOSJIJQHLE-WMZOPIPTSA-N 1 1 472.581 3.259 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C3CC3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC001303203835 1067739521 /nfs/dbraw/zinc/73/95/21/1067739521.db2.gz BXIHDZGJQIQREB-NFBKMPQASA-N 1 1 468.646 3.168 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCC(NC(=O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303203891 1067739555 /nfs/dbraw/zinc/73/95/55/1067739555.db2.gz HQTYCOQDQZPAFM-HSZRJFAPSA-N 1 1 482.673 3.331 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001303203851 1067739614 /nfs/dbraw/zinc/73/96/14/1067739614.db2.gz CGFCWXOCNQNHHJ-LJQANCHMSA-N 1 1 469.556 3.204 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001303204024 1067740002 /nfs/dbraw/zinc/74/00/02/1067740002.db2.gz DNGOOIXFYIFINY-GMAHTHKFSA-N 1 1 497.688 3.074 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001303204025 1067740232 /nfs/dbraw/zinc/74/02/32/1067740232.db2.gz DNGOOIXFYIFINY-JTHBVZDNSA-N 1 1 497.688 3.074 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc4cccnc43)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001303204232 1067740717 /nfs/dbraw/zinc/74/07/17/1067740717.db2.gz GFCHYCRFHIFEEL-NRFANRHFSA-N 1 1 493.656 3.201 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCC3(CC2)OCCO3)C1 ZINC001303204426 1067741096 /nfs/dbraw/zinc/74/10/96/1067741096.db2.gz JJFQCCGVKLNXKP-NRFANRHFSA-N 1 1 463.667 3.345 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC001303204369 1067741223 /nfs/dbraw/zinc/74/12/23/1067741223.db2.gz IJZBERVJDDFHIC-NHCUHLMSSA-N 1 1 471.646 3.500 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCC(OC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303204778 1067741570 /nfs/dbraw/zinc/74/15/70/1067741570.db2.gz OOZAUFBOEPXIEP-ZEQKJWHPSA-N 1 1 493.693 3.069 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N(C)Cc3cccs3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303204766 1067741584 /nfs/dbraw/zinc/74/15/84/1067741584.db2.gz OHAMBMLBEQTKMK-YKSBVNFPSA-N 1 1 477.675 3.373 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2nccs2)C1 ZINC001303204713 1067741628 /nfs/dbraw/zinc/74/16/28/1067741628.db2.gz LZQRJFXDXFEBIP-SFHVURJKSA-N 1 1 476.050 3.486 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCSC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303204818 1067741895 /nfs/dbraw/zinc/74/18/95/1067741895.db2.gz PDFQQOLIPRCVTD-HYBUGGRVSA-N 1 1 481.707 3.007 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001304672977 1067742009 /nfs/dbraw/zinc/74/20/09/1067742009.db2.gz YCRHYHMPKRXPGA-SFTDATJTSA-N 1 1 487.718 3.495 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001303205358 1067742721 /nfs/dbraw/zinc/74/27/21/1067742721.db2.gz QIZWXIJRASMLND-RTWAWAEBSA-N 1 1 499.660 3.143 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C(C)C)C2)C1 ZINC001303205585 1067742800 /nfs/dbraw/zinc/74/28/00/1067742800.db2.gz RLSAXKHHFPXODN-XZOQPEGZSA-N 1 1 475.609 3.214 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001303205528 1067742997 /nfs/dbraw/zinc/74/29/97/1067742997.db2.gz QJJJRGKHJLVTMC-FGZHOGPDSA-N 1 1 476.710 3.212 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001303205620 1067743322 /nfs/dbraw/zinc/74/33/22/1067743322.db2.gz SEKTZMDAAYTWBA-WOJBJXKFSA-N 1 1 475.609 3.357 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccn3C)nnc2N2CCC=C(Br)C2)C1 ZINC001303205780 1067743356 /nfs/dbraw/zinc/74/33/56/1067743356.db2.gz SUMWOKXQGUUQAR-SFHVURJKSA-N 1 1 463.424 3.129 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccccc3F)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001303206390 1067743686 /nfs/dbraw/zinc/74/36/86/1067743686.db2.gz SKWZDDMSOTXWPZ-JOCHJYFZSA-N 1 1 489.636 3.200 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CC2)C1 ZINC001303206671 1067744701 /nfs/dbraw/zinc/74/47/01/1067744701.db2.gz VUVQLTGAULJIMC-FPOVZHCZSA-N 1 1 476.666 3.348 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CC2)C1 ZINC001303206670 1067744727 /nfs/dbraw/zinc/74/47/27/1067744727.db2.gz VUVQLTGAULJIMC-CTNGQTDRSA-N 1 1 476.666 3.348 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001303206996 1067745103 /nfs/dbraw/zinc/74/51/03/1067745103.db2.gz XTMLAOFMNJCILY-NRFANRHFSA-N 1 1 455.651 3.008 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001303206996 1067745111 /nfs/dbraw/zinc/74/51/11/1067745111.db2.gz XTMLAOFMNJCILY-NRFANRHFSA-N 1 1 455.651 3.008 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H](C)c2nccs2)cs1 ZINC001304674766 1067745794 /nfs/dbraw/zinc/74/57/94/1067745794.db2.gz VGJWSEYZDOENRG-KRWDZBQOSA-N 1 1 475.688 3.441 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303208120 1067745997 /nfs/dbraw/zinc/74/59/97/1067745997.db2.gz WWAAUFYCBNYMDA-PMACEKPBSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001303208360 1067746314 /nfs/dbraw/zinc/74/63/14/1067746314.db2.gz KTCPPDLHYQLNEV-UHFFFAOYSA-N 1 1 484.645 3.361 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cs1 ZINC001304676543 1067748666 /nfs/dbraw/zinc/74/86/66/1067748666.db2.gz YFRKQTKWKOXDCT-YKSBVNFPSA-N 1 1 476.691 3.122 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001303212199 1067749619 /nfs/dbraw/zinc/74/96/19/1067749619.db2.gz APPOCLHKTLSAMA-SFTDATJTSA-N 1 1 469.634 3.375 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001303212246 1067749714 /nfs/dbraw/zinc/74/97/14/1067749714.db2.gz CCEBRJWTPGDEFB-UHFFFAOYSA-N 1 1 469.634 3.377 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001303213124 1067750793 /nfs/dbraw/zinc/75/07/93/1067750793.db2.gz MIHIIZWJUNZSTC-GOSISDBHSA-N 1 1 476.025 3.392 20 0 JGADMO Cc1nc(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)C2)no1 ZINC001304680106 1067753098 /nfs/dbraw/zinc/75/30/98/1067753098.db2.gz VOKMCQOYMLDDAC-WOJBJXKFSA-N 1 1 459.639 3.083 20 0 JGADMO Cc1n[nH]c(CCn2c(-c3ccccc3Br)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001304681056 1067753812 /nfs/dbraw/zinc/75/38/12/1067753812.db2.gz PVCUKALBDJFZJZ-UHFFFAOYSA-N 1 1 473.423 3.297 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001303216972 1067754798 /nfs/dbraw/zinc/75/47/98/1067754798.db2.gz AHJOTEMKEHQLMO-UHFFFAOYSA-N 1 1 498.672 3.089 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001303216972 1067754806 /nfs/dbraw/zinc/75/48/06/1067754806.db2.gz AHJOTEMKEHQLMO-UHFFFAOYSA-N 1 1 498.672 3.089 20 0 JGADMO CC(C)COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303221122 1067758167 /nfs/dbraw/zinc/75/81/67/1067758167.db2.gz GOKFUHGEPRBHJU-CTNGQTDRSA-N 1 1 454.619 3.172 20 0 JGADMO Cc1ncc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC001304689786 1067762925 /nfs/dbraw/zinc/76/29/25/1067762925.db2.gz KWYHJRMCKYWMBR-OAQYLSRUSA-N 1 1 481.670 3.382 20 0 JGADMO CC(C)CSCCCn1c(Cc2ccccn2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001303243735 1067772157 /nfs/dbraw/zinc/77/21/57/1067772157.db2.gz QTDJKVSHCNVIHO-UNMCSNQZSA-N 1 1 458.676 3.200 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N3CCN(CC(C)C)C(=O)[C@@H]3C)nnc2C(C)(C)C)cn1 ZINC001304701983 1067773670 /nfs/dbraw/zinc/77/36/70/1067773670.db2.gz RCKYJIVBRUNSRW-SFHVURJKSA-N 1 1 464.618 3.206 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001304702554 1067774692 /nfs/dbraw/zinc/77/46/92/1067774692.db2.gz ZURVGTKIVIIAOR-XMMPIXPASA-N 1 1 457.623 3.141 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001304702916 1067774937 /nfs/dbraw/zinc/77/49/37/1067774937.db2.gz LSGVGWFRHXXLLG-FCHUYYIVSA-N 1 1 471.650 3.146 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304703129 1067775348 /nfs/dbraw/zinc/77/53/48/1067775348.db2.gz LXDITIPDQVDZPJ-NRFANRHFSA-N 1 1 480.617 3.353 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001304704156 1067776826 /nfs/dbraw/zinc/77/68/26/1067776826.db2.gz FCKHCXKCLZZHSE-IBGZPJMESA-N 1 1 466.590 3.286 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001304704170 1067777003 /nfs/dbraw/zinc/77/70/03/1067777003.db2.gz KMKWTBZFIYMWDL-INIZCTEOSA-N 1 1 473.528 3.199 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)C1 ZINC001304704643 1067777314 /nfs/dbraw/zinc/77/73/14/1067777314.db2.gz ORCRHUUEXJIJDW-SFHVURJKSA-N 1 1 471.631 3.027 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001304705311 1067777641 /nfs/dbraw/zinc/77/76/41/1067777641.db2.gz QVBSHOJNZHHFEA-NRFANRHFSA-N 1 1 485.658 3.038 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304705407 1067777654 /nfs/dbraw/zinc/77/76/54/1067777654.db2.gz PKTQWUZLZTYNFE-YLJYHZDGSA-N 1 1 466.590 3.285 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001304706036 1067778507 /nfs/dbraw/zinc/77/85/07/1067778507.db2.gz XVHLEGAVKQZIEU-JKSUJKDBSA-N 1 1 465.023 3.452 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C(N)=O)CC1 ZINC001304706121 1067778986 /nfs/dbraw/zinc/77/89/86/1067778986.db2.gz YUOXWEQZZNSWLN-UHFFFAOYSA-N 1 1 478.420 3.066 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304707575 1067779326 /nfs/dbraw/zinc/77/93/26/1067779326.db2.gz LKQKEVIGDLTELS-QFIPXVFZSA-N 1 1 498.550 3.262 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001303254694 1067780029 /nfs/dbraw/zinc/78/00/29/1067780029.db2.gz GVNZQGMRGWOQMO-DEOSSOPVSA-N 1 1 474.675 3.040 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001304709134 1067780244 /nfs/dbraw/zinc/78/02/44/1067780244.db2.gz KMZCLUNABCJIIR-OAQYLSRUSA-N 1 1 472.615 3.155 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001304709870 1067780630 /nfs/dbraw/zinc/78/06/30/1067780630.db2.gz ZQVLXDZAEIYGED-UHFFFAOYSA-N 1 1 469.556 3.357 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1C(C)(C)C ZINC001303255063 1067780736 /nfs/dbraw/zinc/78/07/36/1067780736.db2.gz UKSHVEDHTGYZDA-RTWAWAEBSA-N 1 1 454.619 3.399 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCO1 ZINC001303255207 1067781294 /nfs/dbraw/zinc/78/12/94/1067781294.db2.gz ZGYFVXQSDNSADI-JOCHJYFZSA-N 1 1 477.613 3.429 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001303255522 1067781470 /nfs/dbraw/zinc/78/14/70/1067781470.db2.gz JDYCFKBISDUPGL-UHFFFAOYSA-N 1 1 460.667 3.130 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001303255522 1067781473 /nfs/dbraw/zinc/78/14/73/1067781473.db2.gz JDYCFKBISDUPGL-UHFFFAOYSA-N 1 1 460.667 3.130 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001304711083 1067782152 /nfs/dbraw/zinc/78/21/52/1067782152.db2.gz PJLNMDZYLAADHS-HOTGVXAUSA-N 1 1 474.034 3.397 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@@H]1C ZINC001304711868 1067782926 /nfs/dbraw/zinc/78/29/26/1067782926.db2.gz RAXYZRRXRXFKDO-ZDUSSCGKSA-N 1 1 450.410 3.193 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001304711932 1067783003 /nfs/dbraw/zinc/78/30/03/1067783003.db2.gz GPZBZSACJQJNLS-UHFFFAOYSA-N 1 1 483.425 3.470 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001303256747 1067783796 /nfs/dbraw/zinc/78/37/96/1067783796.db2.gz BCBIORSUZPFDKL-OAQYLSRUSA-N 1 1 487.649 3.137 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCCCC2=O)CC1 ZINC001303257196 1067784185 /nfs/dbraw/zinc/78/41/85/1067784185.db2.gz ULNGKUVQSVMMTI-UHFFFAOYSA-N 1 1 468.650 3.084 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ncccc2Cl)CC1 ZINC001303258257 1067785086 /nfs/dbraw/zinc/78/50/86/1067785086.db2.gz KSLHCZSHRMDXLJ-LJQANCHMSA-N 1 1 463.026 3.466 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001303259698 1067785936 /nfs/dbraw/zinc/78/59/36/1067785936.db2.gz WFYHXPPBCVDUHW-UHFFFAOYSA-N 1 1 473.687 3.380 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001304714853 1067786484 /nfs/dbraw/zinc/78/64/84/1067786484.db2.gz JCIBJGYYLFEUIP-HXUWFJFHSA-N 1 1 489.546 3.163 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001304715552 1067786560 /nfs/dbraw/zinc/78/65/60/1067786560.db2.gz KSMASTMDXBWPEH-UHFFFAOYSA-N 1 1 485.390 3.195 20 0 JGADMO Cc1nccnc1CCn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001304715488 1067786771 /nfs/dbraw/zinc/78/67/71/1067786771.db2.gz SELRLWUMJPWNAU-GBXCKJPGSA-N 1 1 465.650 3.071 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001303261440 1067787456 /nfs/dbraw/zinc/78/74/56/1067787456.db2.gz IENUIFROMNHVFV-UHFFFAOYSA-N 1 1 488.658 3.282 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001304716149 1067787554 /nfs/dbraw/zinc/78/75/54/1067787554.db2.gz OPNOHKQBKVJBLH-UHFFFAOYSA-N 1 1 461.492 3.261 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001303261424 1067787585 /nfs/dbraw/zinc/78/75/85/1067787585.db2.gz HVHRBVGSJRWPIV-OAHLLOKOSA-N 1 1 496.479 3.055 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001303261687 1067788391 /nfs/dbraw/zinc/78/83/91/1067788391.db2.gz RUPWCGUQORMHMM-FQEVSTJZSA-N 1 1 451.413 3.383 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001303261775 1067788448 /nfs/dbraw/zinc/78/84/48/1067788448.db2.gz WHNSJBOHMQGQAV-JOCHJYFZSA-N 1 1 453.635 3.325 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001304716652 1067788577 /nfs/dbraw/zinc/78/85/77/1067788577.db2.gz WOWRYQWWDNWVIX-IXDOHACOSA-N 1 1 456.513 3.169 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)CC1 ZINC001303261829 1067788867 /nfs/dbraw/zinc/78/88/67/1067788867.db2.gz YGLYJKZYVAWQSY-UHFFFAOYSA-N 1 1 455.575 3.314 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001303261786 1067789027 /nfs/dbraw/zinc/78/90/27/1067789027.db2.gz WMVXGKJWDYUHDI-YADHBBJMSA-N 1 1 475.659 3.227 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001303261785 1067789044 /nfs/dbraw/zinc/78/90/44/1067789044.db2.gz WMVXGKJWDYUHDI-VXKWHMMOSA-N 1 1 475.659 3.227 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001303262188 1067789311 /nfs/dbraw/zinc/78/93/11/1067789311.db2.gz AESTYEOPAATRLC-GOSISDBHSA-N 1 1 477.539 3.430 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001303262189 1067789507 /nfs/dbraw/zinc/78/95/07/1067789507.db2.gz AESTYEOPAATRLC-SFHVURJKSA-N 1 1 477.539 3.430 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2CCOC[C@H]2C1 ZINC001303262572 1067789666 /nfs/dbraw/zinc/78/96/66/1067789666.db2.gz HFTFRAMEMLKSEQ-GOSISDBHSA-N 1 1 495.441 3.098 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001303262573 1067789919 /nfs/dbraw/zinc/78/99/19/1067789919.db2.gz HFTFRAMEMLKSEQ-SFHVURJKSA-N 1 1 495.441 3.098 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001303263669 1067790600 /nfs/dbraw/zinc/79/06/00/1067790600.db2.gz QWISSNXEIDKPLO-HNNXBMFYSA-N 1 1 460.019 3.337 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001303263838 1067791130 /nfs/dbraw/zinc/79/11/30/1067791130.db2.gz GWJMAZKLDMTIMZ-UHFFFAOYSA-N 1 1 465.602 3.462 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001303264062 1067791478 /nfs/dbraw/zinc/79/14/78/1067791478.db2.gz AHYFQSJQLTXJFP-GBXCKJPGSA-N 1 1 462.038 3.350 20 0 JGADMO CC(C)n1nc(-c2nnc(N(C)Cc3cnccn3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001303266028 1067792700 /nfs/dbraw/zinc/79/27/00/1067792700.db2.gz VZIWMEPKHXWUKT-UHFFFAOYSA-N 1 1 489.628 3.393 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001304721455 1067792778 /nfs/dbraw/zinc/79/27/78/1067792778.db2.gz JZGBSTHUYPEGHZ-UHFFFAOYSA-N 1 1 498.701 3.378 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001303266301 1067793179 /nfs/dbraw/zinc/79/31/79/1067793179.db2.gz YRIGUICHZFYTKC-WOJBJXKFSA-N 1 1 479.000 3.330 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001304722010 1067793461 /nfs/dbraw/zinc/79/34/61/1067793461.db2.gz WUCMDUMKZFXWSJ-QTGUNEKASA-N 1 1 487.693 3.152 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC001303266516 1067793716 /nfs/dbraw/zinc/79/37/16/1067793716.db2.gz RAQRNEINIMFFPP-YADHBBJMSA-N 1 1 459.660 3.122 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001303267902 1067795149 /nfs/dbraw/zinc/79/51/49/1067795149.db2.gz JRWFGPUWMFICJQ-FQEVSTJZSA-N 1 1 472.659 3.094 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001303268165 1067795770 /nfs/dbraw/zinc/79/57/70/1067795770.db2.gz BWDZARDFEMTCMX-NBGIEHNGSA-N 1 1 492.665 3.076 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001303268530 1067796151 /nfs/dbraw/zinc/79/61/51/1067796151.db2.gz ITBRRZLLRWASKB-UHFFFAOYSA-N 1 1 475.435 3.154 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303268758 1067797027 /nfs/dbraw/zinc/79/70/27/1067797027.db2.gz LZOFWSSXSPYMTR-VWLOTQADSA-N 1 1 485.608 3.212 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)O)CC1 ZINC001304725385 1067797694 /nfs/dbraw/zinc/79/76/94/1067797694.db2.gz KYIXNEQJWKZOEX-LJQANCHMSA-N 1 1 485.608 3.001 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001303269278 1067798295 /nfs/dbraw/zinc/79/82/95/1067798295.db2.gz WOCABPZJMQRSQV-WIYYLYMNSA-N 1 1 463.648 3.461 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCCCC2)C1 ZINC001303271008 1067799494 /nfs/dbraw/zinc/79/94/94/1067799494.db2.gz OQSMSHAKYSKZQU-UHFFFAOYSA-N 1 1 475.659 3.228 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303271394 1067799887 /nfs/dbraw/zinc/79/98/87/1067799887.db2.gz NTZMAVCPXDEQHU-SFHVURJKSA-N 1 1 486.617 3.365 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001303271460 1067800081 /nfs/dbraw/zinc/80/00/81/1067800081.db2.gz RJBDZRVUDSIPJU-UHFFFAOYSA-N 1 1 477.539 3.430 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001303271766 1067800489 /nfs/dbraw/zinc/80/04/89/1067800489.db2.gz UOVYALVLIBDAAU-RBUKOAKNSA-N 1 1 475.435 3.295 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001303275068 1067802111 /nfs/dbraw/zinc/80/21/11/1067802111.db2.gz RFJCGOGOJGONHL-YOFSQIOKSA-N 1 1 484.649 3.442 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001303275066 1067802504 /nfs/dbraw/zinc/80/25/04/1067802504.db2.gz RETGUDJQWDWOIL-AREMUKBSSA-N 1 1 481.645 3.174 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275381 1067802768 /nfs/dbraw/zinc/80/27/68/1067802768.db2.gz BMGNDEQWFGEEJQ-NHCUHLMSSA-N 1 1 454.619 3.002 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001303275187 1067802917 /nfs/dbraw/zinc/80/29/17/1067802917.db2.gz UEZMAKNGTIWYFP-UHFFFAOYSA-N 1 1 457.529 3.401 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001303276241 1067803361 /nfs/dbraw/zinc/80/33/61/1067803361.db2.gz CWORIHJVTHHDLY-UHFFFAOYSA-N 1 1 454.619 3.019 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001303277094 1067804506 /nfs/dbraw/zinc/80/45/06/1067804506.db2.gz RASLUULWXQACPZ-UHFFFAOYSA-N 1 1 491.656 3.491 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303278257 1067806106 /nfs/dbraw/zinc/80/61/06/1067806106.db2.gz ZZFBGENMNSAUER-WOJBJXKFSA-N 1 1 464.655 3.348 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C ZINC001303278654 1067807122 /nfs/dbraw/zinc/80/71/22/1067807122.db2.gz MLHBSUBLSLKBCC-SFHVURJKSA-N 1 1 479.670 3.041 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001303278511 1067807351 /nfs/dbraw/zinc/80/73/51/1067807351.db2.gz HGNRTKVCCWRAGR-KRWDZBQOSA-N 1 1 493.450 3.052 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001303278835 1067807822 /nfs/dbraw/zinc/80/78/22/1067807822.db2.gz RLBQUSRJTDDRFO-NRFANRHFSA-N 1 1 468.646 3.306 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001303278890 1067807993 /nfs/dbraw/zinc/80/79/93/1067807993.db2.gz UCFQHKGTNAXCSO-UHFFFAOYSA-N 1 1 481.670 3.327 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001303278916 1067808365 /nfs/dbraw/zinc/80/83/65/1067808365.db2.gz UXWLTFSHBAZLGB-FGZHOGPDSA-N 1 1 489.709 3.265 20 0 JGADMO CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303286125 1067812431 /nfs/dbraw/zinc/81/24/31/1067812431.db2.gz ABAXXNGWPPYXPT-IAGOWNOFSA-N 1 1 451.662 3.139 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001304740199 1067814877 /nfs/dbraw/zinc/81/48/77/1067814877.db2.gz MUDNNVRPTSDPFI-UHFFFAOYSA-N 1 1 474.407 3.394 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2CCNC(=O)C(C)C)n1 ZINC001304740705 1067816431 /nfs/dbraw/zinc/81/64/31/1067816431.db2.gz RBXSVINUXAHRBN-XMMPIXPASA-N 1 1 492.672 3.013 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304743382 1067820769 /nfs/dbraw/zinc/82/07/69/1067820769.db2.gz JIECDUMIJUGPCQ-XQBPLPMBSA-N 1 1 457.667 3.369 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304743380 1067820966 /nfs/dbraw/zinc/82/09/66/1067820966.db2.gz JIECDUMIJUGPCQ-JQVVWYNYSA-N 1 1 457.667 3.369 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304743908 1067821873 /nfs/dbraw/zinc/82/18/73/1067821873.db2.gz QMFMSKHFFKWILL-OYRHEFFESA-N 1 1 469.609 3.415 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304745735 1067825066 /nfs/dbraw/zinc/82/50/66/1067825066.db2.gz UVZJZEFXNRTERR-LJQANCHMSA-N 1 1 455.582 3.278 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304747358 1067826318 /nfs/dbraw/zinc/82/63/18/1067826318.db2.gz AFUXXVDCYVCXLD-IRLDBZIGSA-N 1 1 484.693 3.001 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCOCC2)C1 ZINC001303302803 1067827597 /nfs/dbraw/zinc/82/75/97/1067827597.db2.gz NAIHIODITHCLGV-HXUWFJFHSA-N 1 1 475.037 3.209 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001303302913 1067827622 /nfs/dbraw/zinc/82/76/22/1067827622.db2.gz CEJIQHCCMUMHGW-ROUUACIJSA-N 1 1 467.540 3.403 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCOCC2)C1 ZINC001303302802 1067827874 /nfs/dbraw/zinc/82/78/74/1067827874.db2.gz NAIHIODITHCLGV-FQEVSTJZSA-N 1 1 475.037 3.209 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304748440 1067828206 /nfs/dbraw/zinc/82/82/06/1067828206.db2.gz ACJJQJZPEZGCIM-HXUWFJFHSA-N 1 1 481.567 3.195 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303303000 1067828184 /nfs/dbraw/zinc/82/81/84/1067828184.db2.gz QJJRTSQDUKWSCG-MSOLQXFVSA-N 1 1 456.557 3.413 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304749531 1067829447 /nfs/dbraw/zinc/82/94/47/1067829447.db2.gz LMMFVLHDFIDXPT-OFNKIYASSA-N 1 1 465.646 3.259 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303858 1067829737 /nfs/dbraw/zinc/82/97/37/1067829737.db2.gz JUMUAGVASGSELF-RTBURBONSA-N 1 1 491.624 3.469 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)C2CC2)CC1 ZINC001303304145 1067830259 /nfs/dbraw/zinc/83/02/59/1067830259.db2.gz CYHNWTRDAUKYHA-NRFANRHFSA-N 1 1 465.440 3.128 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001303304175 1067830612 /nfs/dbraw/zinc/83/06/12/1067830612.db2.gz DJGTXJOTPSAYIE-LJQANCHMSA-N 1 1 465.689 3.064 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(=O)N(C)c4ccccc4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304750645 1067831002 /nfs/dbraw/zinc/83/10/02/1067831002.db2.gz WMNUSYDOASIZOO-HSZRJFAPSA-N 1 1 492.672 3.359 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001303304519 1067831147 /nfs/dbraw/zinc/83/11/47/1067831147.db2.gz NLWZOOGALUWXHC-VQTJNVASSA-N 1 1 456.610 3.220 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303304499 1067831506 /nfs/dbraw/zinc/83/15/06/1067831506.db2.gz HSLWCORINAJKIF-NHCUHLMSSA-N 1 1 476.666 3.081 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2c(C)nn(C)c2C)n1 ZINC001304751660 1067831746 /nfs/dbraw/zinc/83/17/46/1067831746.db2.gz NICAOXWNUALNKZ-UHFFFAOYSA-N 1 1 467.666 3.095 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nccs2)CC1 ZINC001303304666 1067831840 /nfs/dbraw/zinc/83/18/40/1067831840.db2.gz JMLZVKYDURFCRA-UHFFFAOYSA-N 1 1 464.437 3.471 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCOc2ccccc2)C1 ZINC001303304946 1067831947 /nfs/dbraw/zinc/83/19/47/1067831947.db2.gz LDWFBOCFRSJIMV-NRFANRHFSA-N 1 1 454.619 3.036 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001303305504 1067833399 /nfs/dbraw/zinc/83/33/99/1067833399.db2.gz RTEQRZKRUBJHGY-UHFFFAOYSA-N 1 1 480.535 3.382 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303305284 1067833480 /nfs/dbraw/zinc/83/34/80/1067833480.db2.gz SLECDIJTWVHKQM-RTBURBONSA-N 1 1 467.584 3.477 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Nc3ccn(C)n3)nnc2C(=O)NCc2ccc(Cl)cc2)C1 ZINC001303305688 1067833504 /nfs/dbraw/zinc/83/35/04/1067833504.db2.gz UMYGHXBHKCVWAT-GOSISDBHSA-N 1 1 471.009 3.459 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303305956 1067834238 /nfs/dbraw/zinc/83/42/38/1067834238.db2.gz XBBFYPXHNYIWAK-CTNGQTDRSA-N 1 1 451.681 3.460 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303305924 1067834643 /nfs/dbraw/zinc/83/46/43/1067834643.db2.gz WURWUOWSBVIXFB-AABGKKOBSA-N 1 1 462.639 3.006 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001303308005 1067836012 /nfs/dbraw/zinc/83/60/12/1067836012.db2.gz NGEQYKVPRDBICS-SSEXGKCCSA-N 1 1 453.056 3.461 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CC2)CC1 ZINC001303308443 1067836423 /nfs/dbraw/zinc/83/64/23/1067836423.db2.gz WXNJNAAXSWBUTK-UHFFFAOYSA-N 1 1 452.372 3.292 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCS(C)(=O)=O)CC1 ZINC001303308258 1067836449 /nfs/dbraw/zinc/83/64/49/1067836449.db2.gz UWZOQFWEYNDTEO-UHFFFAOYSA-N 1 1 458.003 3.093 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccccc3F)n2CCCO[C@@H]2CCOC2)CC1 ZINC001303309967 1067837755 /nfs/dbraw/zinc/83/77/55/1067837755.db2.gz BJIKZZHFUXKMOS-HXUWFJFHSA-N 1 1 461.582 3.112 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303310530 1067838867 /nfs/dbraw/zinc/83/88/67/1067838867.db2.gz NLPYCMXQHFIWPQ-NHCUHLMSSA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303310532 1067839003 /nfs/dbraw/zinc/83/90/03/1067839003.db2.gz NLPYCMXQHFIWPQ-SFTDATJTSA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CC1 ZINC001303311341 1067840699 /nfs/dbraw/zinc/84/06/99/1067840699.db2.gz ZRFOXAMHSXRIHP-NRFANRHFSA-N 1 1 477.700 3.034 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCSC3)CC2)C1 ZINC001303318066 1067848513 /nfs/dbraw/zinc/84/85/13/1067848513.db2.gz ICRZKIOCMQOVQL-YADHBBJMSA-N 1 1 478.751 3.241 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCSC3)CC2)C1 ZINC001303318064 1067848689 /nfs/dbraw/zinc/84/86/89/1067848689.db2.gz ICRZKIOCMQOVQL-VXKWHMMOSA-N 1 1 478.751 3.241 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(C4CCCC4)n3CCSC(F)(F)F)CC2)C1 ZINC001303318584 1067850363 /nfs/dbraw/zinc/85/03/63/1067850363.db2.gz VJQFKIFSFHIOSQ-LJQANCHMSA-N 1 1 490.640 3.420 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304763468 1067851883 /nfs/dbraw/zinc/85/18/83/1067851883.db2.gz QODZNETULYZIKC-NVQXNPDNSA-N 1 1 487.693 3.138 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(Cc4cccc(F)c4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304763911 1067852687 /nfs/dbraw/zinc/85/26/87/1067852687.db2.gz MEVIJXPDASFGQY-UHFFFAOYSA-N 1 1 482.652 3.331 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CCCC[NH+]1CCOCC1 ZINC001303323714 1067852631 /nfs/dbraw/zinc/85/26/31/1067852631.db2.gz HXIVQULHPASLDI-KRWDZBQOSA-N 1 1 464.561 3.004 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303324563 1067853401 /nfs/dbraw/zinc/85/34/01/1067853401.db2.gz ONNCHEPNBPIBRV-JHJKYCCZSA-N 1 1 483.642 3.125 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001304764547 1067853798 /nfs/dbraw/zinc/85/37/98/1067853798.db2.gz TUJAHZHITINGDV-QHCPKHFHSA-N 1 1 473.666 3.034 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001303325508 1067854919 /nfs/dbraw/zinc/85/49/19/1067854919.db2.gz VXHBFZIAQBBSRT-VQTJNVASSA-N 1 1 480.613 3.476 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001303325508 1067854929 /nfs/dbraw/zinc/85/49/29/1067854929.db2.gz VXHBFZIAQBBSRT-VQTJNVASSA-N 1 1 480.613 3.476 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)c2nccs2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001303330038 1067859175 /nfs/dbraw/zinc/85/91/75/1067859175.db2.gz JUUQBFOSQLGUII-GOSISDBHSA-N 1 1 467.643 3.171 20 0 JGADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccccc4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001304771078 1067862563 /nfs/dbraw/zinc/86/25/63/1067862563.db2.gz ZRIPIYMWDRFRPZ-HSZRJFAPSA-N 1 1 451.619 3.394 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCC(F)(F)F)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001303340746 1067869661 /nfs/dbraw/zinc/86/96/61/1067869661.db2.gz ZZNQVQMHAVBHEE-LJQANCHMSA-N 1 1 482.551 3.096 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001303350453 1067877505 /nfs/dbraw/zinc/87/75/05/1067877505.db2.gz VCJTWCBDPNUONN-CVDCTZTESA-N 1 1 468.646 3.309 20 0 JGADMO Cc1nnc(Cn2c(Cc3ccccc3C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC001304785404 1067880432 /nfs/dbraw/zinc/88/04/32/1067880432.db2.gz PTGYDOYFJYBJJK-UHFFFAOYSA-N 1 1 469.659 3.180 20 0 JGADMO Cc1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001304787941 1067881267 /nfs/dbraw/zinc/88/12/67/1067881267.db2.gz SLXBQFXNJIUZJE-FQEVSTJZSA-N 1 1 474.654 3.071 20 0 JGADMO Cc1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304796508 1067884388 /nfs/dbraw/zinc/88/43/88/1067884388.db2.gz VDNCQAZSPBWVFO-IBGZPJMESA-N 1 1 452.525 3.184 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCc1cccnc1 ZINC001303360238 1067888050 /nfs/dbraw/zinc/88/80/50/1067888050.db2.gz MEUZBZQKDYLZIF-OAQYLSRUSA-N 1 1 461.614 3.155 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303361889 1067889280 /nfs/dbraw/zinc/88/92/80/1067889280.db2.gz GTICLJOVPOCVFG-RBBKRZOGSA-N 1 1 460.667 3.324 20 0 JGADMO Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001304815386 1067889903 /nfs/dbraw/zinc/88/99/03/1067889903.db2.gz BFRLPWQCUYJDDI-AJSBUHFISA-N 1 1 484.645 3.227 20 0 JGADMO Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001304815386 1067889914 /nfs/dbraw/zinc/88/99/14/1067889914.db2.gz BFRLPWQCUYJDDI-AJSBUHFISA-N 1 1 484.645 3.227 20 0 JGADMO Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001304821910 1067892823 /nfs/dbraw/zinc/89/28/23/1067892823.db2.gz GLNKOYSDFRJXCI-VQIMIIECSA-N 1 1 452.372 3.218 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001303366193 1067894213 /nfs/dbraw/zinc/89/42/13/1067894213.db2.gz JYUDKLQNTHYZMX-QHCPKHFHSA-N 1 1 469.678 3.276 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001303366193 1067894224 /nfs/dbraw/zinc/89/42/24/1067894224.db2.gz JYUDKLQNTHYZMX-QHCPKHFHSA-N 1 1 469.678 3.276 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(COc3ccccc3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303366926 1067896235 /nfs/dbraw/zinc/89/62/35/1067896235.db2.gz CYFMABYVJNIMQC-SZPZYZBQSA-N 1 1 498.672 3.211 20 0 JGADMO C[C@]12CN(C(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001303368450 1067897776 /nfs/dbraw/zinc/89/77/76/1067897776.db2.gz VWHWYGVZASCAGD-VFNWGFHPSA-N 1 1 472.458 3.426 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@]1(C)CCCS1 ZINC001303369123 1067898314 /nfs/dbraw/zinc/89/83/14/1067898314.db2.gz JOLYFXWCAQOIFS-YKSBVNFPSA-N 1 1 456.660 3.413 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001303369706 1067899179 /nfs/dbraw/zinc/89/91/79/1067899179.db2.gz RCGXXXKKISFFHM-XPNTWCBSSA-N 1 1 468.646 3.332 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccccc1Cl ZINC001303372519 1067901822 /nfs/dbraw/zinc/90/18/22/1067901822.db2.gz MPKCVDHKZUVVTO-UHFFFAOYSA-N 1 1 488.080 3.113 20 0 JGADMO Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001304847203 1067902036 /nfs/dbraw/zinc/90/20/36/1067902036.db2.gz ITXZMLGNZAEFOY-DHIUTWEWSA-N 1 1 484.645 3.085 20 0 JGADMO Cc1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCCn1cc(Br)cn1 ZINC001304847508 1067902103 /nfs/dbraw/zinc/90/21/03/1067902103.db2.gz MACOFQVPAQEHKN-UHFFFAOYSA-N 1 1 458.408 3.348 20 0 JGADMO Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001304850465 1067903623 /nfs/dbraw/zinc/90/36/23/1067903623.db2.gz KSRLOFIQAWYAIQ-HXUWFJFHSA-N 1 1 472.609 3.108 20 0 JGADMO Cc1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304857966 1067907666 /nfs/dbraw/zinc/90/76/66/1067907666.db2.gz DQCDXVMHXZRGNN-ZFGGDYGUSA-N 1 1 454.663 3.199 20 0 JGADMO Cc1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304857966 1067907667 /nfs/dbraw/zinc/90/76/67/1067907667.db2.gz DQCDXVMHXZRGNN-ZFGGDYGUSA-N 1 1 454.663 3.199 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001304857989 1067907672 /nfs/dbraw/zinc/90/76/72/1067907672.db2.gz DYZDUZUKBVYBIX-AQNXPRMDSA-N 1 1 467.536 3.442 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303378648 1067908227 /nfs/dbraw/zinc/90/82/27/1067908227.db2.gz INCYVMBNCJPHTQ-NTKDMRAZSA-N 1 1 456.660 3.270 20 0 JGADMO Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001304859393 1067909285 /nfs/dbraw/zinc/90/92/85/1067909285.db2.gz GSMNZDUJXCICRH-XJUOHMSHSA-N 1 1 489.709 3.228 20 0 JGADMO Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001304859830 1067909562 /nfs/dbraw/zinc/90/95/62/1067909562.db2.gz IXEYTZWCEUKHHU-UHFFFAOYSA-N 1 1 452.390 3.136 20 0 JGADMO Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001304859978 1067909672 /nfs/dbraw/zinc/90/96/72/1067909672.db2.gz JRGRNSALYRKUQT-OYRHEFFESA-N 1 1 487.693 3.149 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001303384713 1067912937 /nfs/dbraw/zinc/91/29/37/1067912937.db2.gz BGDHZARJCNXFPY-JOCHJYFZSA-N 1 1 468.646 3.048 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CCC[N@@H+](C)C(C)C ZINC001303389490 1067918338 /nfs/dbraw/zinc/91/83/38/1067918338.db2.gz SSYVRJJFGUTBKN-QGZVFWFLSA-N 1 1 484.571 3.203 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875731 1067919610 /nfs/dbraw/zinc/91/96/10/1067919610.db2.gz XBDOGHYBNVSXMH-LXGFNABISA-N 1 1 460.623 3.126 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875731 1067919618 /nfs/dbraw/zinc/91/96/18/1067919618.db2.gz XBDOGHYBNVSXMH-LXGFNABISA-N 1 1 460.623 3.126 20 0 JGADMO Cc1noc(C)c1CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304877980 1067921865 /nfs/dbraw/zinc/92/18/65/1067921865.db2.gz FFIWGLUIUOXFPW-UHFFFAOYSA-N 1 1 470.593 3.403 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001303396704 1067924393 /nfs/dbraw/zinc/92/43/93/1067924393.db2.gz PVPADUSGCYNAOE-IBGZPJMESA-N 1 1 493.697 3.276 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001303396749 1067924918 /nfs/dbraw/zinc/92/49/18/1067924918.db2.gz RRXRDTYXEAOBLF-HXUWFJFHSA-N 1 1 485.652 3.393 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001303399002 1067927583 /nfs/dbraw/zinc/92/75/83/1067927583.db2.gz WCPUPLXYTYZEGY-VWLOTQADSA-N 1 1 482.654 3.098 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C(C)C ZINC001304883954 1067928645 /nfs/dbraw/zinc/92/86/45/1067928645.db2.gz HXMDRKRVNBUPQA-HXUWFJFHSA-N 1 1 491.637 3.168 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304885411 1067929357 /nfs/dbraw/zinc/92/93/57/1067929357.db2.gz XLMCXYYSCADPIF-QHCPKHFHSA-N 1 1 497.619 3.192 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304886260 1067930441 /nfs/dbraw/zinc/93/04/41/1067930441.db2.gz JWRSWLGSGZZGFJ-UHFFFAOYSA-N 1 1 485.608 3.263 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303402969 1067931595 /nfs/dbraw/zinc/93/15/95/1067931595.db2.gz POWVRDUYAJYTJH-IBGZPJMESA-N 1 1 495.594 3.011 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001303407249 1067934245 /nfs/dbraw/zinc/93/42/45/1067934245.db2.gz CUAOTBVNDQNPIM-YMPZKCBVSA-N 1 1 468.646 3.188 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H]1CCSC1(C)C ZINC001303407895 1067934923 /nfs/dbraw/zinc/93/49/23/1067934923.db2.gz KRHBQTUUKADSNE-QGZVFWFLSA-N 1 1 462.689 3.332 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCC1=CCCCC1 ZINC001303408252 1067935343 /nfs/dbraw/zinc/93/53/43/1067935343.db2.gz QSKYFSGVEDIOLD-QHCPKHFHSA-N 1 1 466.630 3.162 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001303408448 1067935601 /nfs/dbraw/zinc/93/56/01/1067935601.db2.gz XSWQEMDQHDXZPE-GOSISDBHSA-N 1 1 496.685 3.324 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001303408967 1067935698 /nfs/dbraw/zinc/93/56/98/1067935698.db2.gz BTLWKDFIHMLNDB-UHFFFAOYSA-N 1 1 478.588 3.123 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC(C)(C)c1ccc(F)cc1 ZINC001303409559 1067936132 /nfs/dbraw/zinc/93/61/32/1067936132.db2.gz JMWKGSNJGWMELF-UHFFFAOYSA-N 1 1 474.625 3.080 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCC1CCOCC1 ZINC001303410125 1067936608 /nfs/dbraw/zinc/93/66/08/1067936608.db2.gz PNUKVMVBHWOAJX-UHFFFAOYSA-N 1 1 460.648 3.007 20 0 JGADMO Cc1noc(CCCn2c(Cc3ccccc3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304895200 1067939814 /nfs/dbraw/zinc/93/98/14/1067939814.db2.gz HDVHHVPJYDDILB-BGYRXZFFSA-N 1 1 467.618 3.047 20 0 JGADMO Cc1noc(CCCn2c(Cc3ccccc3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304895200 1067939822 /nfs/dbraw/zinc/93/98/22/1067939822.db2.gz HDVHHVPJYDDILB-BGYRXZFFSA-N 1 1 467.618 3.047 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303416801 1067944449 /nfs/dbraw/zinc/94/44/49/1067944449.db2.gz QEVRYPIZJLWQLM-OAQYLSRUSA-N 1 1 458.582 3.008 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303416800 1067944496 /nfs/dbraw/zinc/94/44/96/1067944496.db2.gz QEVRYPIZJLWQLM-NRFANRHFSA-N 1 1 458.582 3.008 20 0 JGADMO Cc1cc(CN2CCN(c3nnc(Cc4ccc(F)cc4)n3CCC[N@H+](C)C(C)C)CC2)on1 ZINC001304901989 1067945626 /nfs/dbraw/zinc/94/56/26/1067945626.db2.gz PAYOBFRFFZSQIF-UHFFFAOYSA-N 1 1 469.609 3.357 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303419710 1067945864 /nfs/dbraw/zinc/94/58/64/1067945864.db2.gz FOAMLXCCLHDMNN-FQEVSTJZSA-N 1 1 478.707 3.173 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304902375 1067946403 /nfs/dbraw/zinc/94/64/03/1067946403.db2.gz AEEVGPXPCCNISV-VQIMIIECSA-N 1 1 476.572 3.334 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303421144 1067946869 /nfs/dbraw/zinc/94/68/69/1067946869.db2.gz ORSNXLRRQLPZRX-PIPMEXSNSA-N 1 1 484.576 3.418 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303424669 1067949161 /nfs/dbraw/zinc/94/91/61/1067949161.db2.gz XVVDXPCZOWCMQM-UHFFFAOYSA-N 1 1 494.482 3.271 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303425447 1067950228 /nfs/dbraw/zinc/95/02/28/1067950228.db2.gz NHJNEMWRBUYQGE-QGZVFWFLSA-N 1 1 493.425 3.436 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304910654 1067953591 /nfs/dbraw/zinc/95/35/91/1067953591.db2.gz JEHIWURIWAITAS-JSXRDJHFSA-N 1 1 480.723 3.437 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912468 1067956409 /nfs/dbraw/zinc/95/64/09/1067956409.db2.gz PQVYOGDGXMXYCV-OYRHEFFESA-N 1 1 459.683 3.496 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912916 1067956788 /nfs/dbraw/zinc/95/67/88/1067956788.db2.gz RIFXWGUNFWBIRM-MHTWAQMVSA-N 1 1 490.718 3.278 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(N3CCN(c4cnn(C)c4)CC3)nnc2C(C)(C)C)C1 ZINC001304912941 1067957288 /nfs/dbraw/zinc/95/72/88/1067957288.db2.gz ROIJRRLBOWHLIR-BGYRXZFFSA-N 1 1 456.683 3.392 20 0 JGADMO C[C@@H]1C[C@H](C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001304913873 1067958345 /nfs/dbraw/zinc/95/83/45/1067958345.db2.gz VULYJWIBISRHMW-KDURUIRLSA-N 1 1 475.037 3.066 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304915531 1067959416 /nfs/dbraw/zinc/95/94/16/1067959416.db2.gz DFPXYJVOCDZZCD-VAMGGRTRSA-N 1 1 488.702 3.208 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304915529 1067959461 /nfs/dbraw/zinc/95/94/61/1067959461.db2.gz DFPXYJVOCDZZCD-AQNXPRMDSA-N 1 1 488.702 3.208 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCC[C@@H]1C ZINC001303436910 1067961424 /nfs/dbraw/zinc/96/14/24/1067961424.db2.gz REYHVPHICJXJIY-INIZCTEOSA-N 1 1 463.424 3.153 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303441561 1067963549 /nfs/dbraw/zinc/96/35/49/1067963549.db2.gz MXULLNRRIFAFHB-OEMFJLHTSA-N 1 1 482.673 3.434 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001303441417 1067964053 /nfs/dbraw/zinc/96/40/53/1067964053.db2.gz UALRPSKOXMVSBX-HXUWFJFHSA-N 1 1 470.662 3.097 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001303441417 1067964058 /nfs/dbraw/zinc/96/40/58/1067964058.db2.gz UALRPSKOXMVSBX-HXUWFJFHSA-N 1 1 470.662 3.097 20 0 JGADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC001304923238 1067964759 /nfs/dbraw/zinc/96/47/59/1067964759.db2.gz AOBOGXATVZHHEK-GSPCLOLRSA-N 1 1 460.711 3.491 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304923702 1067965439 /nfs/dbraw/zinc/96/54/39/1067965439.db2.gz CSMOHHZPKGCYNZ-CIAFKFPVSA-N 1 1 497.750 3.436 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303445176 1067966407 /nfs/dbraw/zinc/96/64/07/1067966407.db2.gz ZEBAHFCWLGWNTB-FYYLOGMGSA-N 1 1 488.652 3.429 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001304924346 1067966920 /nfs/dbraw/zinc/96/69/20/1067966920.db2.gz IMICPAAKJNISEL-CALCHBBNSA-N 1 1 493.582 3.435 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccncc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304924547 1067967389 /nfs/dbraw/zinc/96/73/89/1067967389.db2.gz IGHJAYCIPFWBDX-OYRHEFFESA-N 1 1 467.662 3.114 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(N3CCN(c4ncccn4)CC3)nnc2C(C)(C)C)C1 ZINC001304925676 1067969090 /nfs/dbraw/zinc/96/90/90/1067969090.db2.gz NDHABFDXGMONSF-OYRHEFFESA-N 1 1 454.667 3.450 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001304926003 1067969817 /nfs/dbraw/zinc/96/98/17/1067969817.db2.gz OEFRPGSGXRZYRE-LNRXMEIDSA-N 1 1 481.707 3.291 20 0 JGADMO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304928397 1067976131 /nfs/dbraw/zinc/97/61/31/1067976131.db2.gz NOKNOPWBTKHNHA-RZUBCFFCSA-N 1 1 465.708 3.421 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304928420 1067976142 /nfs/dbraw/zinc/97/61/42/1067976142.db2.gz ZQWWQDOYDMGOHL-SZPZYZBQSA-N 1 1 484.693 3.131 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N2CC(C)(C)OC[C@@H]2C)C1 ZINC001304928619 1067976602 /nfs/dbraw/zinc/97/66/02/1067976602.db2.gz VOQRNUSUXIFVCA-HBMCJLEFSA-N 1 1 460.667 3.276 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304929675 1067978345 /nfs/dbraw/zinc/97/83/45/1067978345.db2.gz XYHKCJYJMRPRMJ-ZRBLBEILSA-N 1 1 476.710 3.435 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001304932557 1067981610 /nfs/dbraw/zinc/98/16/10/1067981610.db2.gz KIYWCQJWHBVJHG-WNRNVDISSA-N 1 1 495.466 3.396 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001304932557 1067981617 /nfs/dbraw/zinc/98/16/17/1067981617.db2.gz KIYWCQJWHBVJHG-WNRNVDISSA-N 1 1 495.466 3.396 20 0 JGADMO C[C@@H]1C[C@H](CCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001304938691 1067987683 /nfs/dbraw/zinc/98/76/83/1067987683.db2.gz OIFIXRAVQXMHIY-IRLDBZIGSA-N 1 1 490.656 3.387 20 0 JGADMO CC(C)NS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001303468978 1067988645 /nfs/dbraw/zinc/98/86/45/1067988645.db2.gz AFNHOHNJRVDYPO-VXKWHMMOSA-N 1 1 488.702 3.364 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001304942259 1067993420 /nfs/dbraw/zinc/99/34/20/1067993420.db2.gz XBKGUGJPYRAKQZ-URVUXULASA-N 1 1 484.670 3.443 20 0 JGADMO C[C@@H]1C[C@H](CCn2c(CC(C)(C)C)nnc2N2CCN(C)C(=O)C2)C[N@H+]1Cc1ccccc1 ZINC001304942649 1067993812 /nfs/dbraw/zinc/99/38/12/1067993812.db2.gz YKFBRPLAVXWEAL-IRLDBZIGSA-N 1 1 452.647 3.446 20 0 JGADMO C[C@@H]1C[C@H](Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001304942578 1067993985 /nfs/dbraw/zinc/99/39/85/1067993985.db2.gz NLOSJYQYEFVFAJ-FGZHOGPDSA-N 1 1 471.646 3.262 20 0 JGADMO C[C@@H]1C[C@H](Cn2c(CCOc3ccccc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001304942578 1067993989 /nfs/dbraw/zinc/99/39/89/1067993989.db2.gz NLOSJYQYEFVFAJ-FGZHOGPDSA-N 1 1 471.646 3.262 20 0 JGADMO C[C@H]1C[C@H](N(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001304947832 1067999093 /nfs/dbraw/zinc/99/90/93/1067999093.db2.gz HHYHTMHYNMBXSA-DFQSSKMNSA-N 1 1 494.562 3.297 20 0 JGADMO C[C@@H]1C[C@H](N(C)c2nnc([C@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001304950214 1068000172 /nfs/dbraw/zinc/00/01/72/1068000172.db2.gz MVCGTFXMLJRFID-AKIFATBCSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001303480756 1068000910 /nfs/dbraw/zinc/00/09/10/1068000910.db2.gz IJVWNSYSVURJCY-XMMPIXPASA-N 1 1 494.084 3.464 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCC[N@@H+](C)C1CCCCC1 ZINC001304957299 1068003196 /nfs/dbraw/zinc/00/31/96/1068003196.db2.gz DKZKBSDJTMBKHI-CEXWTWQISA-N 1 1 454.685 3.168 20 0 JGADMO C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1 ZINC001303485188 1068007931 /nfs/dbraw/zinc/00/79/31/1068007931.db2.gz BTGZUARPUQIQKG-GCJKJVERSA-N 1 1 455.986 3.050 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001303487379 1068009699 /nfs/dbraw/zinc/00/96/99/1068009699.db2.gz KEVNVHUFTWGJEG-WMZHIEFXSA-N 1 1 485.620 3.301 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001303487379 1068009713 /nfs/dbraw/zinc/00/97/13/1068009713.db2.gz KEVNVHUFTWGJEG-WMZHIEFXSA-N 1 1 485.620 3.301 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2CCc2ccncc2)CC1 ZINC001304968889 1068009928 /nfs/dbraw/zinc/00/99/28/1068009928.db2.gz VEYWDGBGJGDYHK-SZPZYZBQSA-N 1 1 453.679 3.499 20 0 JGADMO C[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001304969679 1068010255 /nfs/dbraw/zinc/01/02/55/1068010255.db2.gz ICQKDCSQBNCHLN-AABGKKOBSA-N 1 1 451.681 3.460 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2nccs2)CCOC1 ZINC001303487599 1068010497 /nfs/dbraw/zinc/01/04/97/1068010497.db2.gz ONDZSNIKUBPJQY-FDGPYGQJSA-N 1 1 492.690 3.124 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2nccs2)CCOC1 ZINC001303487599 1068010512 /nfs/dbraw/zinc/01/05/12/1068010512.db2.gz ONDZSNIKUBPJQY-FDGPYGQJSA-N 1 1 492.690 3.124 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303489261 1068013105 /nfs/dbraw/zinc/01/31/05/1068013105.db2.gz JQRXTCJDKSRSCG-OTNCWRBYSA-N 1 1 463.667 3.302 20 0 JGADMO CC1CCC(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001304979631 1068017855 /nfs/dbraw/zinc/01/78/55/1068017855.db2.gz RRLMXBWIBGBLKZ-YEWNNSEMSA-N 1 1 476.666 3.432 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001304981182 1068021037 /nfs/dbraw/zinc/02/10/37/1068021037.db2.gz NOSUXBSHSNTSRS-AEFFLSMTSA-N 1 1 465.689 3.095 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304981406 1068021692 /nfs/dbraw/zinc/02/16/92/1068021692.db2.gz SHPWWWSWAWKNNU-MKXGPGLRSA-N 1 1 488.702 3.331 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001303495929 1068021804 /nfs/dbraw/zinc/02/18/04/1068021804.db2.gz SEPXPBMRIYVYBF-BVAGGSTKSA-N 1 1 477.694 3.428 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(CO)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303496555 1068023026 /nfs/dbraw/zinc/02/30/26/1068023026.db2.gz XFEYGEBZMJLAHX-QFQXNSOFSA-N 1 1 471.646 3.048 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCCCCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)CCOC1 ZINC001303499596 1068026296 /nfs/dbraw/zinc/02/62/96/1068026296.db2.gz DYARTLMRKSXFMK-DHLKQENFSA-N 1 1 463.667 3.326 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCCCCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCOC1 ZINC001303499597 1068026326 /nfs/dbraw/zinc/02/63/26/1068026326.db2.gz DYARTLMRKSXFMK-RCZVLFRGSA-N 1 1 463.667 3.326 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCCC4(CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303500133 1068027218 /nfs/dbraw/zinc/02/72/18/1068027218.db2.gz GPARDSFJFZPBNF-VWLOTQADSA-N 1 1 463.667 3.446 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001304989158 1068031487 /nfs/dbraw/zinc/03/14/87/1068031487.db2.gz RBTQVJHMQBSXRW-SQJMNOBHSA-N 1 1 457.667 3.331 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303502398 1068032311 /nfs/dbraw/zinc/03/23/11/1068032311.db2.gz NHUGWZHIUMMIMV-NBGIEHNGSA-N 1 1 494.681 3.105 20 0 JGADMO C[C@H]1CCC[C@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304993337 1068034860 /nfs/dbraw/zinc/03/48/60/1068034860.db2.gz AQBALFKKTATZJY-FNZWTVRRSA-N 1 1 473.637 3.354 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304994124 1068036223 /nfs/dbraw/zinc/03/62/23/1068036223.db2.gz BRMZPRVNBNLNKR-DNVJHFABSA-N 1 1 487.737 3.339 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001303506684 1068040874 /nfs/dbraw/zinc/04/08/74/1068040874.db2.gz QAIBKGUDNXNLKW-SQJMNOBHSA-N 1 1 463.667 3.444 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCSC(C)(C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303509133 1068042982 /nfs/dbraw/zinc/04/29/82/1068042982.db2.gz BSPIWMPBDCQRLK-GBXCKJPGSA-N 1 1 481.707 3.151 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303509837 1068044214 /nfs/dbraw/zinc/04/42/14/1068044214.db2.gz JBMZZVNCXOSVHB-PMIMVTRFSA-N 1 1 471.646 3.046 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1 ZINC001305013744 1068054297 /nfs/dbraw/zinc/05/42/97/1068054297.db2.gz MCTZLGVTMVIYFC-HXUWFJFHSA-N 1 1 474.675 3.450 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305013694 1068054666 /nfs/dbraw/zinc/05/46/66/1068054666.db2.gz LGTFOOUFVDHOBI-LJQANCHMSA-N 1 1 460.648 3.008 20 0 JGADMO CC(C)OC1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303526417 1068056130 /nfs/dbraw/zinc/05/61/30/1068056130.db2.gz FYHLKTQLSYTVCC-UHFFFAOYSA-N 1 1 455.651 3.008 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001305015007 1068056954 /nfs/dbraw/zinc/05/69/54/1068056954.db2.gz BJHQPIAKKDQEKZ-AQNXPRMDSA-N 1 1 475.659 3.227 20 0 JGADMO C[C@@H]1COCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001305015312 1068057392 /nfs/dbraw/zinc/05/73/92/1068057392.db2.gz DEBPVGHWUXEORZ-RTBURBONSA-N 1 1 460.648 3.149 20 0 JGADMO C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305015733 1068058791 /nfs/dbraw/zinc/05/87/91/1068058791.db2.gz YNWBJPWIRPZZSW-HKBOAZHASA-N 1 1 476.691 3.425 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305015984 1068059273 /nfs/dbraw/zinc/05/92/73/1068059273.db2.gz KNLFDSMCNHCJNC-RTWAWAEBSA-N 1 1 460.667 3.131 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305016660 1068059892 /nfs/dbraw/zinc/05/98/92/1068059892.db2.gz IHYZSOMUHGASAC-JTHBVZDNSA-N 1 1 473.687 3.341 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001305016336 1068060116 /nfs/dbraw/zinc/06/01/16/1068060116.db2.gz HHBBQNKCXAIMPU-GOSISDBHSA-N 1 1 498.594 3.403 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001305017166 1068060556 /nfs/dbraw/zinc/06/05/56/1068060556.db2.gz DBQLLPKCIQJIPD-QZTJIDSGSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305017354 1068060905 /nfs/dbraw/zinc/06/09/05/1068060905.db2.gz LEBVCUMBAOKPCI-VQTJNVASSA-N 1 1 493.649 3.274 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305017341 1068061342 /nfs/dbraw/zinc/06/13/42/1068061342.db2.gz LASRBIXDMDLOOJ-GJZGRUSLSA-N 1 1 466.428 3.000 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2ccncc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001305018154 1068062096 /nfs/dbraw/zinc/06/20/96/1068062096.db2.gz SFIPGJLSCGUVQA-HXUWFJFHSA-N 1 1 453.635 3.010 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(F)cc2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001305018530 1068062766 /nfs/dbraw/zinc/06/27/66/1068062766.db2.gz NUTSETKZAYFJJD-VQTJNVASSA-N 1 1 456.610 3.330 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCc2ccccc2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001305018285 1068063204 /nfs/dbraw/zinc/06/32/04/1068063204.db2.gz NEBSYZSEJJIDDD-FCHUYYIVSA-N 1 1 452.647 3.385 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001303535978 1068064634 /nfs/dbraw/zinc/06/46/34/1068064634.db2.gz HKPUESOSJMENKA-JTHBVZDNSA-N 1 1 456.635 3.015 20 0 JGADMO C[C@H]1CCCC[N@@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001305019705 1068066482 /nfs/dbraw/zinc/06/64/82/1068066482.db2.gz RGOQQKXWOZJZBI-FCHUYYIVSA-N 1 1 494.750 3.145 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001305019705 1068066494 /nfs/dbraw/zinc/06/64/94/1068066494.db2.gz RGOQQKXWOZJZBI-FCHUYYIVSA-N 1 1 494.750 3.145 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(Nc2cnn(CC3CCC3)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305019885 1068066855 /nfs/dbraw/zinc/06/68/55/1068066855.db2.gz NZDMLEQPEOBRSB-ROUUACIJSA-N 1 1 492.694 3.139 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305020318 1068068093 /nfs/dbraw/zinc/06/80/93/1068068093.db2.gz UYGFKUOQQJQLIQ-QUCCMNQESA-N 1 1 465.689 3.208 20 0 JGADMO CC(C)OCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303539030 1068068148 /nfs/dbraw/zinc/06/81/48/1068068148.db2.gz LSLKTQALYJZNHD-UHFFFAOYSA-N 1 1 457.623 3.441 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001305020653 1068068950 /nfs/dbraw/zinc/06/89/50/1068068950.db2.gz CYLGJPKBSWRFKC-DOTOQJQBSA-N 1 1 454.541 3.439 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305021689 1068071758 /nfs/dbraw/zinc/07/17/58/1068071758.db2.gz WTNDTQKGFXHDEH-ICSRJNTNSA-N 1 1 493.649 3.130 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305021973 1068072817 /nfs/dbraw/zinc/07/28/17/1068072817.db2.gz IZGBHOXQXLNARU-QZTJIDSGSA-N 1 1 480.654 3.174 20 0 JGADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001305022370 1068073371 /nfs/dbraw/zinc/07/33/71/1068073371.db2.gz BJHJBPCYXFWFIN-ZJPYXAASSA-N 1 1 498.644 3.484 20 0 JGADMO CC(C)OCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303547009 1068073929 /nfs/dbraw/zinc/07/39/29/1068073929.db2.gz QZQATNUQPWTHCV-UHFFFAOYSA-N 1 1 477.675 3.474 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305022837 1068074710 /nfs/dbraw/zinc/07/47/10/1068074710.db2.gz OEFIAVRKHKTTGC-ZWKOTPCHSA-N 1 1 463.623 3.218 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023220 1068075322 /nfs/dbraw/zinc/07/53/22/1068075322.db2.gz BATUDDPAXTZHTA-CGXNFDGLSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023382 1068075704 /nfs/dbraw/zinc/07/57/04/1068075704.db2.gz GYRWVDSIDOMOOO-ZLNRFVROSA-N 1 1 473.710 3.045 20 0 JGADMO CC(C)OCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303551877 1068077697 /nfs/dbraw/zinc/07/76/97/1068077697.db2.gz YWWOGCLGDOKRAT-ZRCGQRJVSA-N 1 1 473.618 3.151 20 0 JGADMO CC(C)OCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303551877 1068077711 /nfs/dbraw/zinc/07/77/11/1068077711.db2.gz YWWOGCLGDOKRAT-ZRCGQRJVSA-N 1 1 473.618 3.151 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305024025 1068078478 /nfs/dbraw/zinc/07/84/78/1068078478.db2.gz KCIDVLFHQHNSIM-VQTJNVASSA-N 1 1 469.634 3.035 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305024428 1068079154 /nfs/dbraw/zinc/07/91/54/1068079154.db2.gz ZBZATJGAPHSUDC-QZTJIDSGSA-N 1 1 458.582 3.004 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305024557 1068079181 /nfs/dbraw/zinc/07/91/81/1068079181.db2.gz ZOVMFCLBIUUALT-AEFFLSMTSA-N 1 1 481.066 3.127 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001305024666 1068079429 /nfs/dbraw/zinc/07/94/29/1068079429.db2.gz MIQOAZVOENBPNN-JKSUJKDBSA-N 1 1 472.030 3.339 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305024777 1068079654 /nfs/dbraw/zinc/07/96/54/1068079654.db2.gz IQNZEWYPOHWFHC-RBUKOAKNSA-N 1 1 497.585 3.407 20 0 JGADMO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025318 1068080483 /nfs/dbraw/zinc/08/04/83/1068080483.db2.gz MLGDFJNUIKUXLM-OALUTQOASA-N 1 1 456.610 3.220 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025551 1068080647 /nfs/dbraw/zinc/08/06/47/1068080647.db2.gz NHLIPPCDTQJSPA-RZUBCFFCSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025552 1068080722 /nfs/dbraw/zinc/08/07/22/1068080722.db2.gz NHLIPPCDTQJSPA-SJBKTWHCSA-N 1 1 489.686 3.332 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025977 1068081748 /nfs/dbraw/zinc/08/17/48/1068081748.db2.gz VFKYGFWFVAPHRA-GPXNEJASSA-N 1 1 454.663 3.378 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025977 1068081765 /nfs/dbraw/zinc/08/17/65/1068081765.db2.gz VFKYGFWFVAPHRA-GPXNEJASSA-N 1 1 454.663 3.378 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026365 1068082095 /nfs/dbraw/zinc/08/20/95/1068082095.db2.gz WLQQYNJIEZBEOQ-HSALFYBXSA-N 1 1 491.681 3.030 20 0 JGADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026147 1068082646 /nfs/dbraw/zinc/08/26/46/1068082646.db2.gz QBQMBZVXWPRFDO-WCIQWLHISA-N 1 1 451.681 3.173 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(OC3CCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305026662 1068083512 /nfs/dbraw/zinc/08/35/12/1068083512.db2.gz XGVYEHCQIPDFRY-VQTJNVASSA-N 1 1 460.667 3.465 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027265 1068083973 /nfs/dbraw/zinc/08/39/73/1068083973.db2.gz UXFJQBIXYGMPBS-QRVBRYPASA-N 1 1 490.590 3.315 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028040 1068084476 /nfs/dbraw/zinc/08/44/76/1068084476.db2.gz CHXGKJLUEGXIMN-NHCUHLMSSA-N 1 1 486.636 3.421 20 0 JGADMO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028564 1068085576 /nfs/dbraw/zinc/08/55/76/1068085576.db2.gz ZVPUPSZRYIFELY-SFHLNBCPSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028794 1068086397 /nfs/dbraw/zinc/08/63/97/1068086397.db2.gz KLVJRQPCQAZJJK-GGPKGHCWSA-N 1 1 496.077 3.254 20 0 JGADMO C[C@@H](Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001305028826 1068087512 /nfs/dbraw/zinc/08/75/12/1068087512.db2.gz KVFFLCCYKTUIRH-VXKWHMMOSA-N 1 1 487.737 3.267 20 0 JGADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305029821 1068087655 /nfs/dbraw/zinc/08/76/55/1068087655.db2.gz RMNYDAHWXGCCSR-SQNIBIBYSA-N 1 1 462.689 3.332 20 0 JGADMO C[C@H](Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305030497 1068088318 /nfs/dbraw/zinc/08/83/18/1068088318.db2.gz WCEYNKAMJPBTRM-BRWVUGGUSA-N 1 1 458.573 3.201 20 0 JGADMO C[C@@H](Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305030501 1068088453 /nfs/dbraw/zinc/08/84/53/1068088453.db2.gz WCEYNKAMJPBTRM-IXDOHACOSA-N 1 1 458.573 3.201 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305030306 1068088516 /nfs/dbraw/zinc/08/85/16/1068088516.db2.gz VNZQFCKAQJYQSR-XAISMOLKSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001303566656 1068089184 /nfs/dbraw/zinc/08/91/84/1068089184.db2.gz GKLZKBWXMRSDGT-LJQANCHMSA-N 1 1 487.674 3.004 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OCC3CC3)nc2)CC1 ZINC001303566895 1068089717 /nfs/dbraw/zinc/08/97/17/1068089717.db2.gz LLDUUTVDOAANLE-UHFFFAOYSA-N 1 1 456.635 3.355 20 0 JGADMO CC(C)OCCn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001303567523 1068090770 /nfs/dbraw/zinc/09/07/70/1068090770.db2.gz UKKTXIXAMKVWNU-LJQANCHMSA-N 1 1 461.582 3.111 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 ZINC001303567623 1068091279 /nfs/dbraw/zinc/09/12/79/1068091279.db2.gz YXQFEGJGGZLUGP-UHFFFAOYSA-N 1 1 482.673 3.293 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001305034898 1068091561 /nfs/dbraw/zinc/09/15/61/1068091561.db2.gz JSOWTKCONXUOMK-SLSDLSHTSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001305034900 1068091706 /nfs/dbraw/zinc/09/17/06/1068091706.db2.gz JSOWTKCONXUOMK-TZBSWOFLSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)CC1 ZINC001303570075 1068092910 /nfs/dbraw/zinc/09/29/10/1068092910.db2.gz NVZTVTAXXDXZGT-UHFFFAOYSA-N 1 1 497.507 3.412 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001305040956 1068095134 /nfs/dbraw/zinc/09/51/34/1068095134.db2.gz AKDGIYOAWNSKLK-KRWDZBQOSA-N 1 1 468.993 3.342 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001305040957 1068095453 /nfs/dbraw/zinc/09/54/53/1068095453.db2.gz AKDGIYOAWNSKLK-QGZVFWFLSA-N 1 1 468.993 3.342 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CSCCS2)CC1 ZINC001303571160 1068095694 /nfs/dbraw/zinc/09/56/94/1068095694.db2.gz IAMQOYTXAZNCOS-FQEVSTJZSA-N 1 1 453.722 3.406 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001303571260 1068096243 /nfs/dbraw/zinc/09/62/43/1068096243.db2.gz KKEHNXSDOMPHMQ-FYYLOGMGSA-N 1 1 459.610 3.106 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001303571261 1068096572 /nfs/dbraw/zinc/09/65/72/1068096572.db2.gz KKEHNXSDOMPHMQ-GGAORHGYSA-N 1 1 459.610 3.106 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001303572196 1068096889 /nfs/dbraw/zinc/09/68/89/1068096889.db2.gz YOXYRKXKKVLYSU-WOJBJXKFSA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001303571895 1068097172 /nfs/dbraw/zinc/09/71/72/1068097172.db2.gz RNJSIFCEDXWEDU-UHFFFAOYSA-N 1 1 462.683 3.205 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001303571874 1068097245 /nfs/dbraw/zinc/09/72/45/1068097245.db2.gz QWOMSHKISJEBSP-SANMLTNESA-N 1 1 470.662 3.142 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001305042497 1068098408 /nfs/dbraw/zinc/09/84/08/1068098408.db2.gz IJQBQRSIUWSABJ-SFTDATJTSA-N 1 1 469.634 3.299 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CSCCS2)CC1 ZINC001303572645 1068098606 /nfs/dbraw/zinc/09/86/06/1068098606.db2.gz NSOBHHJIBZDOSH-NRFANRHFSA-N 1 1 495.690 3.392 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305043114 1068098801 /nfs/dbraw/zinc/09/88/01/1068098801.db2.gz OIQFVTAKERVQIC-UXHICEINSA-N 1 1 474.675 3.004 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305043242 1068099965 /nfs/dbraw/zinc/09/99/65/1068099965.db2.gz OUWDJYCMHYPHFM-UXHICEINSA-N 1 1 472.609 3.210 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001305043689 1068100348 /nfs/dbraw/zinc/10/03/48/1068100348.db2.gz SKFWKQCFVUIRFN-IAGOWNOFSA-N 1 1 465.524 3.436 20 0 JGADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305044153 1068100754 /nfs/dbraw/zinc/10/07/54/1068100754.db2.gz WWNYKXRMYBPTGA-ZZLPTCMGSA-N 1 1 474.694 3.376 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001305044282 1068100787 /nfs/dbraw/zinc/10/07/87/1068100787.db2.gz YZUPCWAZMBISRY-UXHICEINSA-N 1 1 472.609 3.175 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(OCc3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044200 1068100825 /nfs/dbraw/zinc/10/08/25/1068100825.db2.gz XLJIMMCSZVGGOJ-OAQYLSRUSA-N 1 1 468.646 3.334 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001305044804 1068101983 /nfs/dbraw/zinc/10/19/83/1068101983.db2.gz AKMALFNXKTZTFY-LMMKCTJWSA-N 1 1 452.525 3.152 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)C1 ZINC001305045134 1068102528 /nfs/dbraw/zinc/10/25/28/1068102528.db2.gz CVGGXBPYZKRRBU-YOEHRIQHSA-N 1 1 481.464 3.422 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305046259 1068103968 /nfs/dbraw/zinc/10/39/68/1068103968.db2.gz HKFGBURJECPGFF-DLBZAZTESA-N 1 1 492.466 3.215 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001305046262 1068104083 /nfs/dbraw/zinc/10/40/83/1068104083.db2.gz HKFGBURJECPGFF-SJORKVTESA-N 1 1 492.466 3.215 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305046125 1068104144 /nfs/dbraw/zinc/10/41/44/1068104144.db2.gz HGAKSSUUBYWTHK-XRXFAXGQSA-N 1 1 476.666 3.253 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)C2)C1 ZINC001305046786 1068104461 /nfs/dbraw/zinc/10/44/61/1068104461.db2.gz JHFKHXBZXGZVNM-OAHLLOKOSA-N 1 1 481.464 3.217 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(CO)CC2)C1 ZINC001305046927 1068105408 /nfs/dbraw/zinc/10/54/08/1068105408.db2.gz DDFMRERYTNGHKT-FPOVZHCZSA-N 1 1 476.666 3.291 20 0 JGADMO CC(C)SCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303582271 1068105824 /nfs/dbraw/zinc/10/58/24/1068105824.db2.gz AQKAWRMGGXVNFA-UHFFFAOYSA-N 1 1 485.746 3.315 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cc(F)ccc3Br)nnc2N2CCNC(=O)C2)C1 ZINC001305049076 1068108588 /nfs/dbraw/zinc/10/85/88/1068108588.db2.gz NOSUPNXPWREZDS-MRXNPFEDSA-N 1 1 493.425 3.295 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001305050030 1068109968 /nfs/dbraw/zinc/10/99/68/1068109968.db2.gz QNDNAKSFSIWFTB-OALUTQOASA-N 1 1 495.640 3.283 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC001305049475 1068109990 /nfs/dbraw/zinc/10/99/90/1068109990.db2.gz IQYLAUSMWUNRSU-VQTJNVASSA-N 1 1 471.650 3.461 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001305049765 1068110349 /nfs/dbraw/zinc/11/03/49/1068110349.db2.gz TUCNEOKCBRJDQW-AEFFLSMTSA-N 1 1 457.541 3.252 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)Cc2ccco2)C1 ZINC001305049844 1068110394 /nfs/dbraw/zinc/11/03/94/1068110394.db2.gz JVZXPTIGLXDVEF-LJQANCHMSA-N 1 1 486.642 3.157 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)Cc2ccco2)C1 ZINC001305049843 1068110469 /nfs/dbraw/zinc/11/04/69/1068110469.db2.gz JVZXPTIGLXDVEF-IBGZPJMESA-N 1 1 486.642 3.157 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305050097 1068111208 /nfs/dbraw/zinc/11/12/08/1068111208.db2.gz RNZJTQDDGCSRCX-DLBZAZTESA-N 1 1 492.466 3.250 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305050099 1068111346 /nfs/dbraw/zinc/11/13/46/1068111346.db2.gz RNZJTQDDGCSRCX-IRXDYDNUSA-N 1 1 492.466 3.250 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccn3C)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001305050374 1068111902 /nfs/dbraw/zinc/11/19/02/1068111902.db2.gz MAEBSUFSNLDTNM-QGZVFWFLSA-N 1 1 471.556 3.369 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001305050319 1068111966 /nfs/dbraw/zinc/11/19/66/1068111966.db2.gz WKNKPKVAITYDQZ-ACRUOGEOSA-N 1 1 476.666 3.350 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001305050811 1068113051 /nfs/dbraw/zinc/11/30/51/1068113051.db2.gz NDFPBTDAUMHGHI-INIZCTEOSA-N 1 1 453.969 3.113 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305051095 1068113750 /nfs/dbraw/zinc/11/37/50/1068113750.db2.gz UPGXOUDBRUUZIR-RTBURBONSA-N 1 1 458.582 3.006 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001305051176 1068114266 /nfs/dbraw/zinc/11/42/66/1068114266.db2.gz ZJTDSVBNYBJJEA-UNMCSNQZSA-N 1 1 499.660 3.350 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303594691 1068115024 /nfs/dbraw/zinc/11/50/24/1068115024.db2.gz PYFQINAZYRCSPC-LZNRXBQRSA-N 1 1 490.599 3.200 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305052065 1068115571 /nfs/dbraw/zinc/11/55/71/1068115571.db2.gz YGXYWJLZVLGQDV-NJDAHSKKSA-N 1 1 467.680 3.045 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccn3C)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305052143 1068116162 /nfs/dbraw/zinc/11/61/62/1068116162.db2.gz YVOKNRKLCRQYGO-ZLNRFVROSA-N 1 1 471.694 3.341 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccn3C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001305052262 1068116306 /nfs/dbraw/zinc/11/63/06/1068116306.db2.gz SDQKJNQYMLUNPK-WOJBJXKFSA-N 1 1 471.650 3.461 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305053345 1068117456 /nfs/dbraw/zinc/11/74/56/1068117456.db2.gz YKXAOPMQYJWMBM-KRWDZBQOSA-N 1 1 477.451 3.400 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CC1 ZINC001303595857 1068118362 /nfs/dbraw/zinc/11/83/62/1068118362.db2.gz IORXWVLVEALLMI-MOPGFXCFSA-N 1 1 482.654 3.348 20 0 JGADMO C[C@@H]1CCCN1c1nnc([C@H]2CCCOC2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001305055431 1068118745 /nfs/dbraw/zinc/11/87/45/1068118745.db2.gz FTHACODYKFMZIG-UXHICEINSA-N 1 1 464.655 3.398 20 0 JGADMO C[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305054873 1068118767 /nfs/dbraw/zinc/11/87/67/1068118767.db2.gz SOWATDRNHBFDTQ-OAHLLOKOSA-N 1 1 451.413 3.146 20 0 JGADMO C[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305054873 1068118769 /nfs/dbraw/zinc/11/87/69/1068118769.db2.gz SOWATDRNHBFDTQ-OAHLLOKOSA-N 1 1 451.413 3.146 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001305058259 1068120278 /nfs/dbraw/zinc/12/02/78/1068120278.db2.gz GIZUHHSSEAXYFE-FUHWJXTLSA-N 1 1 467.586 3.314 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001305057976 1068120305 /nfs/dbraw/zinc/12/03/05/1068120305.db2.gz CNTSHWGDDYLOSB-UYAOXDASSA-N 1 1 478.563 3.052 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305058969 1068122298 /nfs/dbraw/zinc/12/22/98/1068122298.db2.gz KGGOJDZAPWUMED-APWZRJJASA-N 1 1 452.024 3.096 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001305058871 1068122549 /nfs/dbraw/zinc/12/25/49/1068122549.db2.gz KHZLQTUYSYPXRF-VQTJNVASSA-N 1 1 469.634 3.194 20 0 JGADMO C[C@H]1CCCN1c1nnc(CCCc2ccccc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305059451 1068122911 /nfs/dbraw/zinc/12/29/11/1068122911.db2.gz PBIWRPGFXVUNQZ-GMAHTHKFSA-N 1 1 452.647 3.385 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001305059669 1068123740 /nfs/dbraw/zinc/12/37/40/1068123740.db2.gz NNPYTGRJMIZKSF-DLBZAZTESA-N 1 1 475.435 3.284 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305059782 1068123845 /nfs/dbraw/zinc/12/38/45/1068123845.db2.gz QAKSCTOGMLPTCJ-AABGKKOBSA-N 1 1 462.639 3.450 20 0 JGADMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 ZINC001303598728 1068124694 /nfs/dbraw/zinc/12/46/94/1068124694.db2.gz GHIKVZALMRNHJB-RBUKOAKNSA-N 1 1 463.420 3.256 20 0 JGADMO CCOC(=O)c1cnn(-c2ccc(C(=O)N3[C@@H]4CC[C@H]3CC[N@H+](C)C4)cc2)c1C(F)(F)F ZINC001303598772 1068124837 /nfs/dbraw/zinc/12/48/37/1068124837.db2.gz IXJJKWAUTHDJDD-DOTOQJQBSA-N 1 1 450.461 3.377 20 0 JGADMO C[C@H]1CCC[N@@H+]1CCn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1C(C)(C)C ZINC001305061489 1068127115 /nfs/dbraw/zinc/12/71/15/1068127115.db2.gz HNOHNRSMGHZIFJ-QFIPXVFZSA-N 1 1 453.679 3.318 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1C(C)(C)C ZINC001305061489 1068127119 /nfs/dbraw/zinc/12/71/19/1068127119.db2.gz HNOHNRSMGHZIFJ-QFIPXVFZSA-N 1 1 453.679 3.318 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001305061717 1068127622 /nfs/dbraw/zinc/12/76/22/1068127622.db2.gz WHPRZZVONXSKKH-INIZCTEOSA-N 1 1 470.515 3.418 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@H]1C ZINC001305062095 1068128875 /nfs/dbraw/zinc/12/88/75/1068128875.db2.gz WYVQXJDFFOTLCM-ZIAGYGMSSA-N 1 1 490.493 3.123 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305062425 1068129477 /nfs/dbraw/zinc/12/94/77/1068129477.db2.gz OJHWSLIDPFLCFH-IBGZPJMESA-N 1 1 472.609 3.175 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001305062772 1068130560 /nfs/dbraw/zinc/13/05/60/1068130560.db2.gz QREOOUCHCWOJTJ-IAGOWNOFSA-N 1 1 463.051 3.375 20 0 JGADMO C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccn2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303603293 1068134818 /nfs/dbraw/zinc/13/48/18/1068134818.db2.gz RWGZGDSVFWBBKH-HXUWFJFHSA-N 1 1 465.646 3.460 20 0 JGADMO C[C@H](c1ccccc1)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303610626 1068145157 /nfs/dbraw/zinc/14/51/57/1068145157.db2.gz OEMMATUOWQATDC-HXUWFJFHSA-N 1 1 476.629 3.149 20 0 JGADMO C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001305072699 1068146890 /nfs/dbraw/zinc/14/68/90/1068146890.db2.gz FZVWANCXJPZOGD-DJJJIMSYSA-N 1 1 454.800 3.274 20 0 JGADMO C[C@@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303613257 1068147536 /nfs/dbraw/zinc/14/75/36/1068147536.db2.gz KOLSLBAANPUSRN-VLCRHTCISA-N 1 1 472.609 3.409 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1(C)C ZINC001305080766 1068153766 /nfs/dbraw/zinc/15/37/66/1068153766.db2.gz ZDHPVAHOIWTRAW-CTNGQTDRSA-N 1 1 455.651 3.099 20 0 JGADMO C[C@H](c1ccco1)N(C)c1nnc(Cc2ccccn2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303622846 1068153732 /nfs/dbraw/zinc/15/37/32/1068153732.db2.gz GECRSPFSZBNEIT-HXUWFJFHSA-N 1 1 451.619 3.328 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N(C)C)CC1 ZINC001303627961 1068158256 /nfs/dbraw/zinc/15/82/56/1068158256.db2.gz DXSZBDDFPWGZFN-YFVAEKQCSA-N 1 1 474.675 3.230 20 0 JGADMO CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001305090854 1068160084 /nfs/dbraw/zinc/16/00/84/1068160084.db2.gz OWIRHUBSQSTWQZ-JOCHJYFZSA-N 1 1 474.600 3.326 20 0 JGADMO CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001305090856 1068160115 /nfs/dbraw/zinc/16/01/15/1068160115.db2.gz OWIRHUBSQSTWQZ-QFIPXVFZSA-N 1 1 474.600 3.326 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N(C)C)CC1 ZINC001303630222 1068161095 /nfs/dbraw/zinc/16/10/95/1068161095.db2.gz PZHHORNITLUUQA-FQEVSTJZSA-N 1 1 482.654 3.323 20 0 JGADMO C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001305096211 1068163402 /nfs/dbraw/zinc/16/34/02/1068163402.db2.gz SAKPLGKCJURBKD-DNVJHFABSA-N 1 1 453.679 3.075 20 0 JGADMO C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001305098563 1068165337 /nfs/dbraw/zinc/16/53/37/1068165337.db2.gz ZKACBJWWXMFNAI-QUCCMNQESA-N 1 1 462.639 3.307 20 0 JGADMO O=C(CNC(=O)c1ccccc1OC(F)F)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305108818 1068178355 /nfs/dbraw/zinc/17/83/55/1068178355.db2.gz PUOOLLFNFSODRF-AABGKKOBSA-N 1 1 457.521 3.435 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001303651639 1068180675 /nfs/dbraw/zinc/18/06/75/1068180675.db2.gz CCIMVBAKCOPVHR-RBUKOAKNSA-N 1 1 479.629 3.314 20 0 JGADMO C[C@H](N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305111430 1068182892 /nfs/dbraw/zinc/18/28/92/1068182892.db2.gz CKFBXQGOLFDMKU-KSZLIROESA-N 1 1 472.600 3.191 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C[C@H](C)O1 ZINC001305111447 1068183546 /nfs/dbraw/zinc/18/35/46/1068183546.db2.gz CPHDABDVWYFYLN-BGYRXZFFSA-N 1 1 485.608 3.217 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCCO)CC2)C[C@H](C)O1 ZINC001305111732 1068184012 /nfs/dbraw/zinc/18/40/12/1068184012.db2.gz FYIYNUYQVIXMMM-VWPQPMDRSA-N 1 1 463.667 3.396 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305112158 1068185360 /nfs/dbraw/zinc/18/53/60/1068185360.db2.gz JMAGCKNFZHFOIZ-RZUBCFFCSA-N 1 1 456.635 3.013 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303654423 1068186076 /nfs/dbraw/zinc/18/60/76/1068186076.db2.gz WGWXHWYIDHNKSG-GBESFXJTSA-N 1 1 491.681 3.013 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001305112410 1068186764 /nfs/dbraw/zinc/18/67/64/1068186764.db2.gz LRXOJWHVGOCYHQ-HDICACEKSA-N 1 1 490.599 3.203 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305112385 1068186853 /nfs/dbraw/zinc/18/68/53/1068186853.db2.gz LGDUVXZCRUXVLD-SFTDATJTSA-N 1 1 488.652 3.414 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCS[C@H](C)[C@@H]2C)C[C@H](C)O1 ZINC001305114495 1068192372 /nfs/dbraw/zinc/19/23/72/1068192372.db2.gz YOLBEAKADHBOGL-ZGXWSNOMSA-N 1 1 458.676 3.482 20 0 JGADMO C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001303663195 1068194461 /nfs/dbraw/zinc/19/44/61/1068194461.db2.gz LPRQTBAXABMUJG-FDFHNCONSA-N 1 1 468.646 3.253 20 0 JGADMO C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001303663195 1068194467 /nfs/dbraw/zinc/19/44/67/1068194467.db2.gz LPRQTBAXABMUJG-FDFHNCONSA-N 1 1 468.646 3.253 20 0 JGADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001303663392 1068195057 /nfs/dbraw/zinc/19/50/57/1068195057.db2.gz ZCUXNMONSHFKNQ-XMMPIXPASA-N 1 1 456.591 3.476 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001303665853 1068199273 /nfs/dbraw/zinc/19/92/73/1068199273.db2.gz APJMUYXSNXDRDI-IRLDBZIGSA-N 1 1 459.660 3.295 20 0 JGADMO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N(C)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303666662 1068200442 /nfs/dbraw/zinc/20/04/42/1068200442.db2.gz DWCOMSWFPKXGLZ-URVUXULASA-N 1 1 454.619 3.097 20 0 JGADMO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCN(C)C(=O)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303668516 1068202911 /nfs/dbraw/zinc/20/29/11/1068202911.db2.gz NAENKWFRGIQPGF-RZUBCFFCSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303668514 1068203002 /nfs/dbraw/zinc/20/30/02/1068203002.db2.gz NAENKWFRGIQPGF-KCZVDYSFSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303668517 1068203057 /nfs/dbraw/zinc/20/30/57/1068203057.db2.gz NAENKWFRGIQPGF-SJBKTWHCSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2ccccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC001305122160 1068205055 /nfs/dbraw/zinc/20/50/55/1068205055.db2.gz LVTDAQFOGPXJJM-PWAGRJGVSA-N 1 1 462.038 3.294 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C(F)(F)F)O1 ZINC001305123536 1068208227 /nfs/dbraw/zinc/20/82/27/1068208227.db2.gz GVPVOSYFNZVHSS-BRWVUGGUSA-N 1 1 495.550 3.202 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H](C)S1 ZINC001305125306 1068211906 /nfs/dbraw/zinc/21/19/06/1068211906.db2.gz WEZOUWHKTCHLLI-BRWVUGGUSA-N 1 1 455.588 3.152 20 0 JGADMO C[C@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC001303681433 1068217251 /nfs/dbraw/zinc/21/72/51/1068217251.db2.gz AQNPLFPWODBCJG-OPAMFIHVSA-N 1 1 477.034 3.274 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305132800 1068218824 /nfs/dbraw/zinc/21/88/24/1068218824.db2.gz JVNPIBWWHDFCHQ-BNDYYXHWSA-N 1 1 461.582 3.018 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCC(=O)N(C)C ZINC001305133999 1068221191 /nfs/dbraw/zinc/22/11/91/1068221191.db2.gz OAXHNXYTJZCVJL-OALUTQOASA-N 1 1 472.609 3.346 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001303683930 1068221416 /nfs/dbraw/zinc/22/14/16/1068221416.db2.gz GZMFLBZSICOONG-LJQANCHMSA-N 1 1 458.582 3.041 20 0 JGADMO C[C@H](CN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1CCOCC1)c1nccs1 ZINC001303685794 1068223478 /nfs/dbraw/zinc/22/34/78/1068223478.db2.gz ZOMIYFQJAZASFY-GOSISDBHSA-N 1 1 458.607 3.427 20 0 JGADMO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1)[N@@H+](C)C1CC1 ZINC001303686611 1068224545 /nfs/dbraw/zinc/22/45/45/1068224545.db2.gz HHUINPNTTAWUDL-HKUYNNGSSA-N 1 1 475.037 3.207 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CCOCC1CC1)[NH+]1CCOCC1 ZINC001303692390 1068233964 /nfs/dbraw/zinc/23/39/64/1068233964.db2.gz WMCSUPUUVRBSHP-KRWDZBQOSA-N 1 1 478.435 3.291 20 0 JGADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001305140212 1068234106 /nfs/dbraw/zinc/23/41/06/1068234106.db2.gz YZIJMSPVEUAISB-UFYCRDLUSA-N 1 1 474.675 3.003 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001303694687 1068237771 /nfs/dbraw/zinc/23/77/71/1068237771.db2.gz PWKGBYBYIICFOA-MRXNPFEDSA-N 1 1 472.943 3.004 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCC2)CC1)[NH+](C)C ZINC001303694831 1068237921 /nfs/dbraw/zinc/23/79/21/1068237921.db2.gz GBPGSAPRZQRLHB-CQSZACIVSA-N 1 1 453.454 3.394 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)C2)C1 ZINC001305141930 1068237941 /nfs/dbraw/zinc/23/79/41/1068237941.db2.gz CAXOETXLMLMFHJ-RTBURBONSA-N 1 1 477.700 3.411 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001303699622 1068241918 /nfs/dbraw/zinc/24/19/18/1068241918.db2.gz KNNXAKLVIGVFKY-PMACEKPBSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303700061 1068242751 /nfs/dbraw/zinc/24/27/51/1068242751.db2.gz NIIWFYMVYJGOFU-HKUYNNGSSA-N 1 1 453.509 3.214 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCOC1)[NH+]1CCOCC1 ZINC001303701179 1068244655 /nfs/dbraw/zinc/24/46/55/1068244655.db2.gz VSALZKFQZSBAII-ROUUACIJSA-N 1 1 478.435 3.291 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cc(Br)cs1)[NH+]1CCOCC1 ZINC001303701246 1068245034 /nfs/dbraw/zinc/24/50/34/1068245034.db2.gz NJCXJFMUUAAUBX-OAHLLOKOSA-N 1 1 479.448 3.465 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303701970 1068246489 /nfs/dbraw/zinc/24/64/89/1068246489.db2.gz YRMJYWRIPXNZRR-ZLNRFVROSA-N 1 1 477.657 3.406 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC001305145815 1068247077 /nfs/dbraw/zinc/24/70/77/1068247077.db2.gz JFOVLLYTARXENR-FVJLSDCUSA-N 1 1 493.027 3.294 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001303703071 1068247067 /nfs/dbraw/zinc/24/70/67/1068247067.db2.gz KAPNLDYNXQLJNW-CEXWTWQISA-N 1 1 457.623 3.212 20 0 JGADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccccc1 ZINC001303703405 1068247761 /nfs/dbraw/zinc/24/77/61/1068247761.db2.gz PHDPNFOXJREGOI-FQEVSTJZSA-N 1 1 450.587 3.355 20 0 JGADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccccc1 ZINC001303703405 1068247768 /nfs/dbraw/zinc/24/77/68/1068247768.db2.gz PHDPNFOXJREGOI-FQEVSTJZSA-N 1 1 450.587 3.355 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC001303705454 1068250107 /nfs/dbraw/zinc/25/01/07/1068250107.db2.gz MVNQRGFWAAGWJJ-CEXWTWQISA-N 1 1 458.632 3.052 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccc(Cl)cc1 ZINC001303706664 1068251172 /nfs/dbraw/zinc/25/11/72/1068251172.db2.gz DCYFOIUGYLTJCQ-GOSISDBHSA-N 1 1 488.036 3.347 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccc(Cl)cc1 ZINC001303706664 1068251176 /nfs/dbraw/zinc/25/11/76/1068251176.db2.gz DCYFOIUGYLTJCQ-GOSISDBHSA-N 1 1 488.036 3.347 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CC[N@H+](C2CCC2)C1 ZINC001305148458 1068251555 /nfs/dbraw/zinc/25/15/55/1068251555.db2.gz YRSILVKSNQBCFB-QGZVFWFLSA-N 1 1 466.001 3.447 20 0 JGADMO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303708401 1068254424 /nfs/dbraw/zinc/25/44/24/1068254424.db2.gz PHOCBZSEQPLMQP-FPOVZHCZSA-N 1 1 492.628 3.359 20 0 JGADMO C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303708400 1068254690 /nfs/dbraw/zinc/25/46/90/1068254690.db2.gz PHOCBZSEQPLMQP-CTNGQTDRSA-N 1 1 492.628 3.359 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001303708930 1068255048 /nfs/dbraw/zinc/25/50/48/1068255048.db2.gz SEGRBVWJQIWHEG-RBUKOAKNSA-N 1 1 490.578 3.272 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC001303714345 1068260234 /nfs/dbraw/zinc/26/02/34/1068260234.db2.gz YEBNPRWJSOAKCF-KDOFPFPSSA-N 1 1 450.509 3.367 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303715546 1068261793 /nfs/dbraw/zinc/26/17/93/1068261793.db2.gz DCEIGEHLVKADRS-FPOVZHCZSA-N 1 1 480.579 3.377 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)N(C)c1ccccc1 ZINC001303718089 1068266270 /nfs/dbraw/zinc/26/62/70/1068266270.db2.gz OKQFAYRWCQPTRO-DHIUTWEWSA-N 1 1 484.689 3.492 20 0 JGADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001303721827 1068271191 /nfs/dbraw/zinc/27/11/91/1068271191.db2.gz IEPYOLJLCDYVQT-CTNGQTDRSA-N 1 1 459.660 3.295 20 0 JGADMO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001305163797 1068272970 /nfs/dbraw/zinc/27/29/70/1068272970.db2.gz IMHHPLAJGGCURR-RBUKOAKNSA-N 1 1 484.649 3.207 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305163971 1068273121 /nfs/dbraw/zinc/27/31/21/1068273121.db2.gz CFOOREBBZFJOGG-LJQANCHMSA-N 1 1 484.649 3.303 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303723539 1068274522 /nfs/dbraw/zinc/27/45/22/1068274522.db2.gz TYMRQBJZEYBACN-HKUYNNGSSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303723539 1068274526 /nfs/dbraw/zinc/27/45/26/1068274526.db2.gz TYMRQBJZEYBACN-HKUYNNGSSA-N 1 1 499.603 3.479 20 0 JGADMO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001303724077 1068275049 /nfs/dbraw/zinc/27/50/49/1068275049.db2.gz WQISOVVXUJNJII-IFMALSPDSA-N 1 1 489.686 3.204 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001303726331 1068278807 /nfs/dbraw/zinc/27/88/07/1068278807.db2.gz ATYIXHGWPIOIRN-QYXIYQDXSA-N 1 1 482.652 3.211 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305168839 1068279890 /nfs/dbraw/zinc/27/98/90/1068279890.db2.gz BYMTWQGFFWAOLE-MJGOQNOKSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305168839 1068279905 /nfs/dbraw/zinc/27/99/05/1068279905.db2.gz BYMTWQGFFWAOLE-MJGOQNOKSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[N@@H+](C)C1CC1 ZINC001303731223 1068286153 /nfs/dbraw/zinc/28/61/53/1068286153.db2.gz IUPSPCQDSLXNNJ-UPTQXZAWSA-N 1 1 452.628 3.120 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305173708 1068286146 /nfs/dbraw/zinc/28/61/46/1068286146.db2.gz FKFDFCRJCMATSZ-KURKYZTESA-N 1 1 459.557 3.450 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001303732753 1068288811 /nfs/dbraw/zinc/28/88/11/1068288811.db2.gz WWRHPSARNBZBJY-FPOVZHCZSA-N 1 1 469.634 3.194 20 0 JGADMO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)C1CC1 ZINC001303737104 1068295298 /nfs/dbraw/zinc/29/52/98/1068295298.db2.gz NGRCRVYWUKZDKW-CRAIPNDOSA-N 1 1 484.091 3.330 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1NC(=O)OC(C)(C)C ZINC001305184723 1068302460 /nfs/dbraw/zinc/30/24/60/1068302460.db2.gz QGNCQKIVQFKJIP-HSALFYBXSA-N 1 1 478.682 3.063 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305186949 1068305515 /nfs/dbraw/zinc/30/55/15/1068305515.db2.gz SFZWEMBDNIAFKS-RTBURBONSA-N 1 1 478.682 3.327 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)CC[N@H+](C2CCC2)C1 ZINC001305186850 1068305602 /nfs/dbraw/zinc/30/56/02/1068305602.db2.gz RXCOLLUWVXXGQZ-SFHVURJKSA-N 1 1 451.681 3.002 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001305187906 1068306819 /nfs/dbraw/zinc/30/68/19/1068306819.db2.gz GBPXLWPNCJDTCY-UGKGYDQZSA-N 1 1 489.064 3.080 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C[C@@H](C(F)(F)F)O1 ZINC001305188104 1068307852 /nfs/dbraw/zinc/30/78/52/1068307852.db2.gz XZQUYHLZEAJXAT-WWMYMODYSA-N 1 1 491.624 3.231 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303747615 1068309259 /nfs/dbraw/zinc/30/92/59/1068309259.db2.gz ZFCQOHHEUKCQDS-KZKAQZJJSA-N 1 1 482.673 3.419 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305190139 1068310975 /nfs/dbraw/zinc/31/09/75/1068310975.db2.gz DWISRZFSVJUGFX-PXNSSMCTSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305190139 1068310993 /nfs/dbraw/zinc/31/09/93/1068310993.db2.gz DWISRZFSVJUGFX-PXNSSMCTSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305190139 1068311013 /nfs/dbraw/zinc/31/10/13/1068311013.db2.gz DWISRZFSVJUGFX-PXNSSMCTSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001305190340 1068312119 /nfs/dbraw/zinc/31/21/19/1068312119.db2.gz RDLRDPAUJRWBKN-FXAWDEMLSA-N 1 1 459.038 3.310 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CC=CCC2)C[C@@H](C(F)(F)F)O1 ZINC001305191749 1068313845 /nfs/dbraw/zinc/31/38/45/1068313845.db2.gz MBVZFRRERAVVCW-LPHOPBHVSA-N 1 1 453.484 3.426 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001303753975 1068316353 /nfs/dbraw/zinc/31/63/53/1068316353.db2.gz GBZKWMAIDCGKEY-IBGZPJMESA-N 1 1 491.478 3.206 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)S1 ZINC001305193810 1068317791 /nfs/dbraw/zinc/31/77/91/1068317791.db2.gz XNUXCLXONNAVLH-KDURUIRLSA-N 1 1 460.667 3.364 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305193810 1068317806 /nfs/dbraw/zinc/31/78/06/1068317806.db2.gz XNUXCLXONNAVLH-KDURUIRLSA-N 1 1 460.667 3.364 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305193810 1068317819 /nfs/dbraw/zinc/31/78/19/1068317819.db2.gz XNUXCLXONNAVLH-KDURUIRLSA-N 1 1 460.667 3.364 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305193770 1068317978 /nfs/dbraw/zinc/31/79/78/1068317978.db2.gz DFGPENYDGLOUEU-IBGZPJMESA-N 1 1 479.595 3.459 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305198663 1068323819 /nfs/dbraw/zinc/32/38/19/1068323819.db2.gz SFAXZIHHSWKSBF-GOSISDBHSA-N 1 1 465.568 3.069 20 0 JGADMO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305202498 1068326997 /nfs/dbraw/zinc/32/69/97/1068326997.db2.gz AFUQQXKDQPKKRL-ICSRJNTNSA-N 1 1 467.536 3.399 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC001303761045 1068327697 /nfs/dbraw/zinc/32/76/97/1068327697.db2.gz YXSHBGKXAXVNSM-GHTZIAJQSA-N 1 1 491.036 3.216 20 0 JGADMO CC(C)[N@H+](C)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001305204043 1068327802 /nfs/dbraw/zinc/32/78/02/1068327802.db2.gz MRLJSIZLRWVSCO-XMMPIXPASA-N 1 1 497.732 3.377 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001305204043 1068327814 /nfs/dbraw/zinc/32/78/14/1068327814.db2.gz MRLJSIZLRWVSCO-XMMPIXPASA-N 1 1 497.732 3.377 20 0 JGADMO C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001305204272 1068328737 /nfs/dbraw/zinc/32/87/37/1068328737.db2.gz OXPUZIXIZINZSN-GGAORHGYSA-N 1 1 484.714 3.338 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CCN1CC(F)(F)F ZINC001305208045 1068336368 /nfs/dbraw/zinc/33/63/68/1068336368.db2.gz MMGRTUZPNJATLQ-HXUWFJFHSA-N 1 1 494.606 3.247 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CCN1CC(F)(F)F ZINC001305208045 1068336386 /nfs/dbraw/zinc/33/63/86/1068336386.db2.gz MMGRTUZPNJATLQ-HXUWFJFHSA-N 1 1 494.606 3.247 20 0 JGADMO O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001305208583 1068337320 /nfs/dbraw/zinc/33/73/20/1068337320.db2.gz KJMBCIXYLXDSBQ-UHFFFAOYSA-N 1 1 452.477 3.428 20 0 JGADMO CC(C)NC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001305209483 1068338791 /nfs/dbraw/zinc/33/87/91/1068338791.db2.gz RBEZULZULAQCPQ-OAQYLSRUSA-N 1 1 452.647 3.289 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001305211950 1068341852 /nfs/dbraw/zinc/34/18/52/1068341852.db2.gz VNMUTHMXLGXPJF-IRLDBZIGSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@H](CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305211986 1068342467 /nfs/dbraw/zinc/34/24/67/1068342467.db2.gz VUHSJXJVHPWVPQ-UXHICEINSA-N 1 1 482.654 3.405 20 0 JGADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@@H](C(F)(F)F)O1 ZINC001305212916 1068344003 /nfs/dbraw/zinc/34/40/03/1068344003.db2.gz VJKLEVFNRMTWAL-QRVBRYPASA-N 1 1 486.583 3.211 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001303770670 1068344807 /nfs/dbraw/zinc/34/48/07/1068344807.db2.gz AXBIWGRXXAGQTA-GJZGRUSLSA-N 1 1 480.997 3.066 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC(C)(C)O1 ZINC001305213486 1068345250 /nfs/dbraw/zinc/34/52/50/1068345250.db2.gz OXHOKCQIDHYYOV-GOSISDBHSA-N 1 1 464.010 3.237 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305214855 1068348818 /nfs/dbraw/zinc/34/88/18/1068348818.db2.gz LIIJNSTZDCEHAM-TZIWHRDSSA-N 1 1 475.609 3.237 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305214852 1068348852 /nfs/dbraw/zinc/34/88/52/1068348852.db2.gz LIIJNSTZDCEHAM-CTNGQTDRSA-N 1 1 475.609 3.237 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCSC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305215127 1068349373 /nfs/dbraw/zinc/34/93/73/1068349373.db2.gz MBHYTVLFFRBHTB-CRAIPNDOSA-N 1 1 489.539 3.406 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305218002 1068354463 /nfs/dbraw/zinc/35/44/63/1068354463.db2.gz UMMDGOQECNNVHU-NCXUSEDFSA-N 1 1 489.583 3.280 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305218001 1068354519 /nfs/dbraw/zinc/35/45/19/1068354519.db2.gz UMMDGOQECNNVHU-AKHDSKFASA-N 1 1 489.583 3.280 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C[C@H](C)S1 ZINC001305218427 1068355562 /nfs/dbraw/zinc/35/55/62/1068355562.db2.gz ZPJRJGOSXRVAPT-HDICACEKSA-N 1 1 463.623 3.437 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C[C@H](C)S1 ZINC001305218427 1068355576 /nfs/dbraw/zinc/35/55/76/1068355576.db2.gz ZPJRJGOSXRVAPT-HDICACEKSA-N 1 1 463.623 3.437 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305219636 1068356831 /nfs/dbraw/zinc/35/68/31/1068356831.db2.gz CCJGEJMZDMIPHE-NHCUHLMSSA-N 1 1 476.710 3.455 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCc2cnccn2)CCCO1 ZINC001305219603 1068357062 /nfs/dbraw/zinc/35/70/62/1068357062.db2.gz BUTMOOZKSMSJFN-MDNUFGMLSA-N 1 1 485.677 3.167 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2Nc2ccn(C)n2)CCCO1 ZINC001305220448 1068357834 /nfs/dbraw/zinc/35/78/34/1068357834.db2.gz FTOHQDZZOOIWLZ-QGZVFWFLSA-N 1 1 459.982 3.489 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CC2CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305221575 1068360933 /nfs/dbraw/zinc/36/09/33/1068360933.db2.gz IDKOYPPIMNFCNH-NVXWUHKLSA-N 1 1 454.566 3.064 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCCN(c4nccs4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305221753 1068361254 /nfs/dbraw/zinc/36/12/54/1068361254.db2.gz LNSPWXUPEXESQR-LJQANCHMSA-N 1 1 461.680 3.250 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N(C)C[C@H]2CCCOC2)CCCO1 ZINC001305221705 1068361451 /nfs/dbraw/zinc/36/14/51/1068361451.db2.gz LDTRNTRYULKFRH-ISKFKSNPSA-N 1 1 455.647 3.427 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CCC(N4CCCCC4=O)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305222312 1068362204 /nfs/dbraw/zinc/36/22/04/1068362204.db2.gz NUWVMPXDANXPQL-FQEVSTJZSA-N 1 1 460.667 3.058 20 0 JGADMO CC(F)(F)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303782722 1068362303 /nfs/dbraw/zinc/36/23/03/1068362303.db2.gz PKWIRELOIJEWKO-SFHVURJKSA-N 1 1 496.990 3.065 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)N(C)C ZINC001305222328 1068362631 /nfs/dbraw/zinc/36/26/31/1068362631.db2.gz KAUYSCWMHFVZFK-ZFWWWQNUSA-N 1 1 481.826 3.122 20 0 JGADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305222538 1068362729 /nfs/dbraw/zinc/36/27/29/1068362729.db2.gz PHHPXKCPROEXFN-OALUTQOASA-N 1 1 490.599 3.377 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N(C)Cc3cnn(-c4ccccc4)n3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305222433 1068362943 /nfs/dbraw/zinc/36/29/43/1068362943.db2.gz OXBXHZAVXKCZGH-BGYRXZFFSA-N 1 1 466.634 3.292 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cc(Br)cn2C)n1CCCOC(F)F ZINC001305223596 1068364708 /nfs/dbraw/zinc/36/47/08/1068364708.db2.gz UGFMPRVZPGABRF-ZFWWWQNUSA-N 1 1 473.366 3.348 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c([C@H]3CCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CCCO1 ZINC001305223329 1068364937 /nfs/dbraw/zinc/36/49/37/1068364937.db2.gz SWVBWJFMDMRCCK-PZJWPPBQSA-N 1 1 492.665 3.124 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001305223639 1068365450 /nfs/dbraw/zinc/36/54/50/1068365450.db2.gz URDXEXAVSATMOM-OFNKIYASSA-N 1 1 475.609 3.358 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(N3CC[C@](O)(c4ccc(F)cc4)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224092 1068366214 /nfs/dbraw/zinc/36/62/14/1068366214.db2.gz WNOUQUNIKKMYAH-UQBPGWFLSA-N 1 1 459.610 3.314 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305224159 1068366352 /nfs/dbraw/zinc/36/63/52/1068366352.db2.gz QORGDQWTJPTATF-KZNAEPCWSA-N 1 1 484.592 3.005 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCCC(C)(C)C2)CC1)C(F)(F)F ZINC001303787056 1068367666 /nfs/dbraw/zinc/36/76/66/1068367666.db2.gz AQYZBJISOUAQIU-GOSISDBHSA-N 1 1 467.584 3.478 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCCC(C)(C)C2)CC1)C(F)(F)F ZINC001303787059 1068367788 /nfs/dbraw/zinc/36/77/88/1068367788.db2.gz AQYZBJISOUAQIU-SFHVURJKSA-N 1 1 467.584 3.478 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305225063 1068368256 /nfs/dbraw/zinc/36/82/56/1068368256.db2.gz SVNOFZNDNYPRSH-GUDVDZBRSA-N 1 1 462.639 3.496 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CCCCNC(=O)OC(C)(C)C ZINC001305225024 1068368386 /nfs/dbraw/zinc/36/83/86/1068368386.db2.gz SLGIJBIFKGYAFM-CTNGQTDRSA-N 1 1 469.634 3.242 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCOCCCO ZINC001305225526 1068369586 /nfs/dbraw/zinc/36/95/86/1068369586.db2.gz UZFXMFQCSVTBEO-SJLPKXTDSA-N 1 1 484.428 3.236 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCCCO ZINC001305226359 1068370226 /nfs/dbraw/zinc/37/02/26/1068370226.db2.gz YUKSEWNFOZIOKC-IFMALSPDSA-N 1 1 471.646 3.227 20 0 JGADMO C[C@@H](N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1)C(F)(F)F ZINC001303791935 1068375074 /nfs/dbraw/zinc/37/50/74/1068375074.db2.gz BHEMLJJUFBYDDX-LJQANCHMSA-N 1 1 479.595 3.459 20 0 JGADMO C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792778 1068376909 /nfs/dbraw/zinc/37/69/09/1068376909.db2.gz LRLIWBUZCHJWON-LJQANCHMSA-N 1 1 485.643 3.110 20 0 JGADMO C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792778 1068376924 /nfs/dbraw/zinc/37/69/24/1068376924.db2.gz LRLIWBUZCHJWON-LJQANCHMSA-N 1 1 485.643 3.110 20 0 JGADMO C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792778 1068376943 /nfs/dbraw/zinc/37/69/43/1068376943.db2.gz LRLIWBUZCHJWON-LJQANCHMSA-N 1 1 485.643 3.110 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303794455 1068379824 /nfs/dbraw/zinc/37/98/24/1068379824.db2.gz BPJJMMILPUPDKR-ACRUOGEOSA-N 1 1 474.650 3.174 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(CCCCO)C1CC1 ZINC001305233557 1068380389 /nfs/dbraw/zinc/38/03/89/1068380389.db2.gz CQINWGQNAYEPKB-MRXNPFEDSA-N 1 1 451.974 3.200 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(CCCCO)C1CC1 ZINC001305233557 1068380404 /nfs/dbraw/zinc/38/04/04/1068380404.db2.gz CQINWGQNAYEPKB-MRXNPFEDSA-N 1 1 451.974 3.200 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCOCC2)C1 ZINC001303794716 1068380859 /nfs/dbraw/zinc/38/08/59/1068380859.db2.gz COWUJODTJOHIAM-PMACEKPBSA-N 1 1 478.682 3.428 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001305233980 1068382444 /nfs/dbraw/zinc/38/24/44/1068382444.db2.gz JCVZRNSVYRSOLD-LJQANCHMSA-N 1 1 454.550 3.105 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001305233980 1068382459 /nfs/dbraw/zinc/38/24/59/1068382459.db2.gz JCVZRNSVYRSOLD-LJQANCHMSA-N 1 1 454.550 3.105 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001303795476 1068382822 /nfs/dbraw/zinc/38/28/22/1068382822.db2.gz GFUULCTXKZYPPL-AZUAARDMSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001303795476 1068382839 /nfs/dbraw/zinc/38/28/39/1068382839.db2.gz GFUULCTXKZYPPL-AZUAARDMSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(Br)c1 ZINC001305234541 1068383807 /nfs/dbraw/zinc/38/38/07/1068383807.db2.gz RVRYQRAETUTIMW-KRWDZBQOSA-N 1 1 471.403 3.460 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(Br)c1 ZINC001305234541 1068383822 /nfs/dbraw/zinc/38/38/22/1068383822.db2.gz RVRYQRAETUTIMW-KRWDZBQOSA-N 1 1 471.403 3.460 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001305234877 1068384197 /nfs/dbraw/zinc/38/41/97/1068384197.db2.gz YNHPPBPYJHWCSL-LJQANCHMSA-N 1 1 456.566 3.049 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001305234877 1068384215 /nfs/dbraw/zinc/38/42/15/1068384215.db2.gz YNHPPBPYJHWCSL-LJQANCHMSA-N 1 1 456.566 3.049 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001305234634 1068384251 /nfs/dbraw/zinc/38/42/51/1068384251.db2.gz UOTVUVAZQWGRJP-IJEWVQPXSA-N 1 1 458.916 3.349 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001305234634 1068384270 /nfs/dbraw/zinc/38/42/70/1068384270.db2.gz UOTVUVAZQWGRJP-IJEWVQPXSA-N 1 1 458.916 3.349 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001305234788 1068384418 /nfs/dbraw/zinc/38/44/18/1068384418.db2.gz XFSDBKGTERLCPL-SFHVURJKSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001305234788 1068384437 /nfs/dbraw/zinc/38/44/37/1068384437.db2.gz XFSDBKGTERLCPL-SFHVURJKSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001305235038 1068385257 /nfs/dbraw/zinc/38/52/57/1068385257.db2.gz ZSWOQBOFERAAHJ-LJQANCHMSA-N 1 1 468.646 3.055 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001305235038 1068385274 /nfs/dbraw/zinc/38/52/74/1068385274.db2.gz ZSWOQBOFERAAHJ-LJQANCHMSA-N 1 1 468.646 3.055 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305236546 1068385966 /nfs/dbraw/zinc/38/59/66/1068385966.db2.gz HUIJEXRCGLUKLB-QGZVFWFLSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305236546 1068385981 /nfs/dbraw/zinc/38/59/81/1068385981.db2.gz HUIJEXRCGLUKLB-QGZVFWFLSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305236546 1068385997 /nfs/dbraw/zinc/38/59/97/1068385997.db2.gz HUIJEXRCGLUKLB-QGZVFWFLSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303799083 1068391757 /nfs/dbraw/zinc/39/17/57/1068391757.db2.gz RXRZKJUHLRDEJE-NHCUHLMSSA-N 1 1 481.645 3.265 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001303800487 1068395149 /nfs/dbraw/zinc/39/51/49/1068395149.db2.gz YUQYWJJZGQLQFU-MOPGFXCFSA-N 1 1 472.638 3.205 20 0 JGADMO C[C@H]1N(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCOC1(C)C ZINC001305243698 1068396196 /nfs/dbraw/zinc/39/61/96/1068396196.db2.gz OTVXNKOUCRILAK-IEBWSBKVSA-N 1 1 474.675 3.394 20 0 JGADMO C[C@H]1OCC[C@]1(O)Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305249563 1068407919 /nfs/dbraw/zinc/40/79/19/1068407919.db2.gz KDJHOKUDXVZTNU-RLWLMLJZSA-N 1 1 455.647 3.304 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303809275 1068416100 /nfs/dbraw/zinc/41/61/00/1068416100.db2.gz HMNXORSMLUQTQL-GOEBONIOSA-N 1 1 496.012 3.091 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303812487 1068423006 /nfs/dbraw/zinc/42/30/06/1068423006.db2.gz ZDUFGBVGXSYFMK-APWZRJJASA-N 1 1 483.082 3.299 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001305258934 1068424259 /nfs/dbraw/zinc/42/42/59/1068424259.db2.gz YAYLFZHLZKTORX-KFWWJZLASA-N 1 1 469.453 3.087 20 0 JGADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001305258936 1068424317 /nfs/dbraw/zinc/42/43/17/1068424317.db2.gz YAYLFZHLZKTORX-ZNMIVQPWSA-N 1 1 469.453 3.087 20 0 JGADMO C[C@H]1SCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001305258948 1068425067 /nfs/dbraw/zinc/42/50/67/1068425067.db2.gz YCBUVIJIDHIELI-WOJBJXKFSA-N 1 1 456.660 3.366 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCn2cc[nH+]c2C)C1 ZINC001305264217 1068440976 /nfs/dbraw/zinc/44/09/76/1068440976.db2.gz LAWQBZHHQPCZCD-QGZVFWFLSA-N 1 1 486.418 3.408 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305265720 1068446809 /nfs/dbraw/zinc/44/68/09/1068446809.db2.gz MPCIHMHDOIVUBG-VQTJNVASSA-N 1 1 484.645 3.189 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001305266055 1068448061 /nfs/dbraw/zinc/44/80/61/1068448061.db2.gz JBRWMXLUAOFQEF-JOCHJYFZSA-N 1 1 498.672 3.080 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001305266055 1068448067 /nfs/dbraw/zinc/44/80/67/1068448067.db2.gz JBRWMXLUAOFQEF-JOCHJYFZSA-N 1 1 498.672 3.080 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303828397 1068449014 /nfs/dbraw/zinc/44/90/14/1068449014.db2.gz VMSOPLFZLSDFLW-GBESFXJTSA-N 1 1 460.648 3.234 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303828491 1068449700 /nfs/dbraw/zinc/44/97/00/1068449700.db2.gz AUQFUWPRCGLZJE-TZIWHRDSSA-N 1 1 474.675 3.147 20 0 JGADMO CC(C)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001303829007 1068451119 /nfs/dbraw/zinc/45/11/19/1068451119.db2.gz BYDQEEAXPJOGHM-GOSISDBHSA-N 1 1 491.706 3.487 20 0 JGADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303829256 1068452165 /nfs/dbraw/zinc/45/21/65/1068452165.db2.gz RDSKSBHJEVIOLO-OALUTQOASA-N 1 1 462.664 3.035 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001303829967 1068453380 /nfs/dbraw/zinc/45/33/80/1068453380.db2.gz GCFBOPCEZJLVPQ-NPDDRXJXSA-N 1 1 492.665 3.127 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001305269091 1068459981 /nfs/dbraw/zinc/45/99/81/1068459981.db2.gz TXOKKTFJMZSEFA-PMACEKPBSA-N 1 1 453.635 3.346 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305269094 1068460112 /nfs/dbraw/zinc/46/01/12/1068460112.db2.gz TXOKKTFJMZSEFA-WOJBJXKFSA-N 1 1 453.635 3.346 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)CC1 ZINC001303833261 1068460701 /nfs/dbraw/zinc/46/07/01/1068460701.db2.gz FVPMPMDOZHNKAT-GOSISDBHSA-N 1 1 456.701 3.127 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CC1(C)CC1 ZINC001303834212 1068462001 /nfs/dbraw/zinc/46/20/01/1068462001.db2.gz MOKFSUSNFRPYNE-OALUTQOASA-N 1 1 466.696 3.169 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CC1(C)CC1 ZINC001303834213 1068462051 /nfs/dbraw/zinc/46/20/51/1068462051.db2.gz MOKFSUSNFRPYNE-RBUKOAKNSA-N 1 1 466.696 3.169 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001305270075 1068464209 /nfs/dbraw/zinc/46/42/09/1068464209.db2.gz VWYMVNKMARTLTQ-REWPJTCUSA-N 1 1 461.614 3.356 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001305272884 1068473381 /nfs/dbraw/zinc/47/33/81/1068473381.db2.gz YASLSKGHFSBUJV-UYAOXDASSA-N 1 1 473.691 3.249 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001305272873 1068473481 /nfs/dbraw/zinc/47/34/81/1068473481.db2.gz YASLSKGHFSBUJV-AZUAARDMSA-N 1 1 473.691 3.249 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001305272881 1068473503 /nfs/dbraw/zinc/47/35/03/1068473503.db2.gz YASLSKGHFSBUJV-ICSRJNTNSA-N 1 1 473.691 3.249 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 ZINC001303843720 1068474604 /nfs/dbraw/zinc/47/46/04/1068474604.db2.gz ZRYHGGWTPLENCU-KRWDZBQOSA-N 1 1 488.649 3.024 20 0 JGADMO CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001305276327 1068477603 /nfs/dbraw/zinc/47/76/03/1068477603.db2.gz DWGFPAKPRHLKPA-OAQYLSRUSA-N 1 1 477.613 3.217 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303847273 1068481789 /nfs/dbraw/zinc/48/17/89/1068481789.db2.gz VAOQKCVWFDMWKB-SFTDATJTSA-N 1 1 486.686 3.447 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC1=CCCCC1 ZINC001303850325 1068485414 /nfs/dbraw/zinc/48/54/14/1068485414.db2.gz SSRLNVOYOCLZMF-RZUBCFFCSA-N 1 1 478.707 3.480 20 0 JGADMO CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001305287641 1068489603 /nfs/dbraw/zinc/48/96/03/1068489603.db2.gz SKROHLDPDBFIDG-HXUWFJFHSA-N 1 1 470.666 3.045 20 0 JGADMO CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001305289242 1068491890 /nfs/dbraw/zinc/49/18/90/1068491890.db2.gz IKUXHVFSPDZTSP-HWHXTQLESA-N 1 1 456.635 3.067 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001303852979 1068493008 /nfs/dbraw/zinc/49/30/08/1068493008.db2.gz ONMCKALIBDKTHC-KRWDZBQOSA-N 1 1 498.644 3.359 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303853232 1068493046 /nfs/dbraw/zinc/49/30/46/1068493046.db2.gz OPRRKEGEKLHQHL-NQIIRXRSSA-N 1 1 490.674 3.057 20 0 JGADMO CCC(C)(C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305290347 1068493157 /nfs/dbraw/zinc/49/31/57/1068493157.db2.gz SEKHAIUQEOKUEH-CPJSRVTESA-N 1 1 463.667 3.444 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001305292053 1068495448 /nfs/dbraw/zinc/49/54/48/1068495448.db2.gz DKEIVHZARDNWLO-SANMLTNESA-N 1 1 498.075 3.409 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCCc2ccccc21 ZINC001303856644 1068496972 /nfs/dbraw/zinc/49/69/72/1068496972.db2.gz ZCOPRJOBFVAANX-PZJWPPBQSA-N 1 1 488.702 3.319 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC1CCC(F)(F)CC1 ZINC001303858091 1068498795 /nfs/dbraw/zinc/49/87/95/1068498795.db2.gz PHXFVCTYXLCLCX-QGZVFWFLSA-N 1 1 488.649 3.169 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297909 1068505532 /nfs/dbraw/zinc/50/55/32/1068505532.db2.gz WSJJUVRHFCPUBA-QEEYODRMSA-N 1 1 486.480 3.476 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297909 1068505542 /nfs/dbraw/zinc/50/55/42/1068505542.db2.gz WSJJUVRHFCPUBA-QEEYODRMSA-N 1 1 486.480 3.476 20 0 JGADMO CC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305299444 1068506806 /nfs/dbraw/zinc/50/68/06/1068506806.db2.gz MTBIDRKMXYORMV-BSWQBHCVSA-N 1 1 476.666 3.227 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305301582 1068510225 /nfs/dbraw/zinc/51/02/25/1068510225.db2.gz PYBPRROHXLATBH-HTAPYJJXSA-N 1 1 478.435 3.027 20 0 JGADMO CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001305301875 1068510848 /nfs/dbraw/zinc/51/08/48/1068510848.db2.gz VVYNOSSTVGRHRB-OZAHESQGSA-N 1 1 476.666 3.227 20 0 JGADMO CC[C@@](C)(O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305305522 1068513391 /nfs/dbraw/zinc/51/33/91/1068513391.db2.gz GSOAUFQGEZQQPQ-AREMUKBSSA-N 1 1 468.646 3.306 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303879847 1068516679 /nfs/dbraw/zinc/51/66/79/1068516679.db2.gz ZZXUARNOBWVZGZ-VLCRHTCISA-N 1 1 492.665 3.095 20 0 JGADMO C[C@@H](O)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001303889567 1068528273 /nfs/dbraw/zinc/52/82/73/1068528273.db2.gz DOAAPSUWUDJAGH-OFNKIYASSA-N 1 1 471.646 3.416 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001303893226 1068530944 /nfs/dbraw/zinc/53/09/44/1068530944.db2.gz PVHKYBYIPVKZCG-MSOLQXFVSA-N 1 1 472.609 3.392 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001305317723 1068533499 /nfs/dbraw/zinc/53/34/99/1068533499.db2.gz HXUFSUQUVGAYLZ-QZUYBOIVSA-N 1 1 487.645 3.441 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305317720 1068533620 /nfs/dbraw/zinc/53/36/20/1068533620.db2.gz HXUFSUQUVGAYLZ-GFWUTJIGSA-N 1 1 487.645 3.441 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(=O)NCC(F)F ZINC001303896680 1068536212 /nfs/dbraw/zinc/53/62/12/1068536212.db2.gz BECCBNOYQOYTNP-MRXNPFEDSA-N 1 1 482.551 3.249 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 ZINC001303896671 1068536468 /nfs/dbraw/zinc/53/64/68/1068536468.db2.gz BCYZEXKSTLXTSW-DENIHFKCSA-N 1 1 461.582 3.283 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001305322531 1068541556 /nfs/dbraw/zinc/54/15/56/1068541556.db2.gz OWNCNUQYUIGMHV-CTZDUNKTSA-N 1 1 486.661 3.023 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305333095 1068562708 /nfs/dbraw/zinc/56/27/08/1068562708.db2.gz IAQFWENVZKCXDT-HOYKHHGWSA-N 1 1 471.675 3.321 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305333100 1068562781 /nfs/dbraw/zinc/56/27/81/1068562781.db2.gz IAQFWENVZKCXDT-KOSHJBKYSA-N 1 1 471.675 3.321 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305335422 1068566532 /nfs/dbraw/zinc/56/65/32/1068566532.db2.gz WGFPXWNZBMDPCT-YRWQMTPXSA-N 1 1 468.646 3.127 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303915408 1068566644 /nfs/dbraw/zinc/56/66/44/1068566644.db2.gz PAXIOZPLOSTWDT-SVQXRNPESA-N 1 1 466.051 3.468 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305335856 1068567184 /nfs/dbraw/zinc/56/71/84/1068567184.db2.gz MSNUXIDNNJJZNV-NTKDMRAZSA-N 1 1 471.675 3.173 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303915835 1068567140 /nfs/dbraw/zinc/56/71/40/1068567140.db2.gz XFOZZUBGMMNHOR-HKARXFIJSA-N 1 1 464.010 3.142 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1(O)CCC1 ZINC001303917844 1068570251 /nfs/dbraw/zinc/57/02/51/1068570251.db2.gz VJUWBEHLEANRSW-IBGZPJMESA-N 1 1 475.609 3.267 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001303922275 1068574017 /nfs/dbraw/zinc/57/40/17/1068574017.db2.gz HMNRWYRZWZAPCK-DVECYGJZSA-N 1 1 461.582 3.021 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001305341561 1068577611 /nfs/dbraw/zinc/57/76/11/1068577611.db2.gz PIGDHOLEJQXRNV-RLSLOFABSA-N 1 1 457.619 3.337 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC(N)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001303924026 1068578721 /nfs/dbraw/zinc/57/87/21/1068578721.db2.gz KVWYXRSUIMQWSY-MSOLQXFVSA-N 1 1 458.582 3.133 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001305343275 1068580306 /nfs/dbraw/zinc/58/03/06/1068580306.db2.gz JMHBVIAJHNPRSN-QDPPLXMDSA-N 1 1 498.672 3.004 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303924965 1068580523 /nfs/dbraw/zinc/58/05/23/1068580523.db2.gz XILVYXMTVUMKTF-QVKFZJNVSA-N 1 1 471.499 3.403 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001305346033 1068586137 /nfs/dbraw/zinc/58/61/37/1068586137.db2.gz HNVXSPOHEBABEO-JTAQYXEDSA-N 1 1 457.619 3.173 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1COCCO1 ZINC001303927478 1068586449 /nfs/dbraw/zinc/58/64/49/1068586449.db2.gz WKGNOYKCVDOYPU-RTBURBONSA-N 1 1 461.582 3.283 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303927314 1068586522 /nfs/dbraw/zinc/58/65/22/1068586522.db2.gz VVKCXLWDWYTEKU-UFYCRDLUSA-N 1 1 472.609 3.379 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCC(F)(F)F ZINC001303931502 1068588513 /nfs/dbraw/zinc/58/85/13/1068588513.db2.gz DVINQIHGTPNAHS-HZPDHXFCSA-N 1 1 457.472 3.421 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCC(F)(F)F ZINC001303931502 1068588526 /nfs/dbraw/zinc/58/85/26/1068588526.db2.gz DVINQIHGTPNAHS-HZPDHXFCSA-N 1 1 457.472 3.421 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)OC ZINC001305354771 1068602808 /nfs/dbraw/zinc/60/28/08/1068602808.db2.gz TUZOMBXUMXYWCB-BVSLBCMMSA-N 1 1 454.619 3.003 20 0 JGADMO C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001303947769 1068608987 /nfs/dbraw/zinc/60/89/87/1068608987.db2.gz WTBTWMRATCKFQA-JOCHJYFZSA-N 1 1 481.428 3.064 20 0 JGADMO C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001303947769 1068608992 /nfs/dbraw/zinc/60/89/92/1068608992.db2.gz WTBTWMRATCKFQA-JOCHJYFZSA-N 1 1 481.428 3.064 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303949557 1068610534 /nfs/dbraw/zinc/61/05/34/1068610534.db2.gz CWNPNJSWIVHZIL-HXUWFJFHSA-N 1 1 472.609 3.222 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303950607 1068612718 /nfs/dbraw/zinc/61/27/18/1068612718.db2.gz NZLQOERCJVMGEZ-FQEVSTJZSA-N 1 1 456.610 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC(=O)N1CCOCC1 ZINC001305371713 1068626333 /nfs/dbraw/zinc/62/63/33/1068626333.db2.gz SNLXBLKREOJILF-FUDKSRODSA-N 1 1 468.646 3.140 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305372180 1068626856 /nfs/dbraw/zinc/62/68/56/1068626856.db2.gz UYZXVJHCPCFHAD-UXHICEINSA-N 1 1 468.712 3.164 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001305373529 1068627936 /nfs/dbraw/zinc/62/79/36/1068627936.db2.gz FWJOETOJAYTZRB-VCOUNFBDSA-N 1 1 475.659 3.261 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC001305398239 1068640717 /nfs/dbraw/zinc/64/07/17/1068640717.db2.gz KVKMQNXHAUYUEU-RBBKRZOGSA-N 1 1 488.677 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC001305398239 1068640723 /nfs/dbraw/zinc/64/07/23/1068640723.db2.gz KVKMQNXHAUYUEU-RBBKRZOGSA-N 1 1 488.677 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ccc(NC(C)=O)nc1 ZINC001305403807 1068644403 /nfs/dbraw/zinc/64/44/03/1068644403.db2.gz NDGHVZJKUDGMNZ-NSXLHWASSA-N 1 1 493.660 3.446 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1sccc1C ZINC001305410864 1068650022 /nfs/dbraw/zinc/65/00/22/1068650022.db2.gz IOLCOWYIWNWIRI-FBBABVLZSA-N 1 1 458.676 3.393 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(OC)CCCCC1 ZINC001305412019 1068650686 /nfs/dbraw/zinc/65/06/86/1068650686.db2.gz MWIYHIFVWHGKLH-JAXLGGSGSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1ccc(N(C)C)cc1 ZINC001305413833 1068652592 /nfs/dbraw/zinc/65/25/92/1068652592.db2.gz YWVAZJSELXSQCS-BPYKYCOYSA-N 1 1 481.689 3.089 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305417648 1068654493 /nfs/dbraw/zinc/65/44/93/1068654493.db2.gz ZLXQCNFYXZBEMS-XUVXKRRUSA-N 1 1 464.655 3.206 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305417651 1068654516 /nfs/dbraw/zinc/65/45/16/1068654516.db2.gz ZLXQCNFYXZBEMS-ZCNNSNEGSA-N 1 1 464.655 3.206 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001305425382 1068661332 /nfs/dbraw/zinc/66/13/32/1068661332.db2.gz IFPCGPKNKBCOLM-NNMXDRDESA-N 1 1 455.603 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001305425382 1068661336 /nfs/dbraw/zinc/66/13/36/1068661336.db2.gz IFPCGPKNKBCOLM-NNMXDRDESA-N 1 1 455.603 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NC)CC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305426049 1068662324 /nfs/dbraw/zinc/66/23/24/1068662324.db2.gz NDZQHTRCUFQHNR-INIZCTEOSA-N 1 1 453.566 3.436 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305432737 1068669820 /nfs/dbraw/zinc/66/98/20/1068669820.db2.gz ZGYKFGHKPOPDHJ-OALUTQOASA-N 1 1 458.655 3.067 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCc1cccnc1 ZINC001305440716 1068675883 /nfs/dbraw/zinc/67/58/83/1068675883.db2.gz UHISOKJOINJLEM-NRFANRHFSA-N 1 1 467.662 3.200 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305442660 1068677614 /nfs/dbraw/zinc/67/76/14/1068677614.db2.gz GWFGCAUNPXGYFQ-MOPGFXCFSA-N 1 1 464.655 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([S@](C)=O)CC1 ZINC001305443035 1068678289 /nfs/dbraw/zinc/67/82/89/1068678289.db2.gz HUELLFUOSYTCJV-NRXUDCPXSA-N 1 1 451.681 3.028 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCNC(=O)C(C)C ZINC001305443526 1068678319 /nfs/dbraw/zinc/67/83/19/1068678319.db2.gz KRYUIWYBJOQNLD-PCCBWWKXSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305446002 1068680279 /nfs/dbraw/zinc/68/02/79/1068680279.db2.gz TYNJIBKKDONENZ-HYBUGGRVSA-N 1 1 498.720 3.464 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305450586 1068686097 /nfs/dbraw/zinc/68/60/97/1068686097.db2.gz RJWCFJCAFYWIDE-PCCBWWKXSA-N 1 1 478.682 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305453236 1068690197 /nfs/dbraw/zinc/69/01/97/1068690197.db2.gz FINHXRIRFLWDNI-VQTJNVASSA-N 1 1 488.702 3.147 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001305459243 1068700799 /nfs/dbraw/zinc/70/07/99/1068700799.db2.gz OHDUKMGURFTCFJ-HXUWFJFHSA-N 1 1 469.634 3.304 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3ccoc3C)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305459084 1068701145 /nfs/dbraw/zinc/70/11/45/1068701145.db2.gz XKSUFCRKJBGRIO-SFHVURJKSA-N 1 1 472.634 3.203 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305459913 1068702337 /nfs/dbraw/zinc/70/23/37/1068702337.db2.gz QHXBVLGJMVLGCR-UFYCRDLUSA-N 1 1 464.655 3.132 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305459935 1068702714 /nfs/dbraw/zinc/70/27/14/1068702714.db2.gz PGDJFECLLSUPEN-SWHJIRTISA-N 1 1 459.610 3.266 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305462772 1068706044 /nfs/dbraw/zinc/70/60/44/1068706044.db2.gz HKRNIEKLGGFSES-AABGKKOBSA-N 1 1 483.661 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305463510 1068706986 /nfs/dbraw/zinc/70/69/86/1068706986.db2.gz MZGVPYXRQABKHW-KRWDZBQOSA-N 1 1 478.041 3.394 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305463510 1068707000 /nfs/dbraw/zinc/70/70/00/1068707000.db2.gz MZGVPYXRQABKHW-KRWDZBQOSA-N 1 1 478.041 3.394 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001305469230 1068712381 /nfs/dbraw/zinc/71/23/81/1068712381.db2.gz MYVBUWLGORLVCQ-WMZHIEFXSA-N 1 1 451.681 3.461 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305486269 1068723498 /nfs/dbraw/zinc/72/34/98/1068723498.db2.gz HISKOHLIXJZPFZ-FDFHNCONSA-N 1 1 475.726 3.196 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305486267 1068723522 /nfs/dbraw/zinc/72/35/22/1068723522.db2.gz HISKOHLIXJZPFZ-BDTNDASRSA-N 1 1 475.726 3.196 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305487425 1068725070 /nfs/dbraw/zinc/72/50/70/1068725070.db2.gz NKZUUWICEOMIEF-ACRUOGEOSA-N 1 1 466.696 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305488218 1068725985 /nfs/dbraw/zinc/72/59/85/1068725985.db2.gz RKOPOJIACGEQLN-OTWHNJEPSA-N 1 1 460.589 3.365 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001305488596 1068726661 /nfs/dbraw/zinc/72/66/61/1068726661.db2.gz KKKQOSIJVBJWDF-SIKLNZKXSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001305488596 1068726671 /nfs/dbraw/zinc/72/66/71/1068726671.db2.gz KKKQOSIJVBJWDF-SIKLNZKXSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305492645 1068730779 /nfs/dbraw/zinc/73/07/79/1068730779.db2.gz OGPFQJJPWKYBDE-PCCBWWKXSA-N 1 1 470.666 3.454 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001305502267 1068736901 /nfs/dbraw/zinc/73/69/01/1068736901.db2.gz GDYHOGSHLMGWNW-HXUWFJFHSA-N 1 1 456.635 3.227 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305505601 1068741430 /nfs/dbraw/zinc/74/14/30/1068741430.db2.gz JLJXOPJIPDMPHT-ZCNNSNEGSA-N 1 1 468.712 3.020 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCn1cnc2ccccc21 ZINC001305505956 1068742112 /nfs/dbraw/zinc/74/21/12/1068742112.db2.gz PZIOLQNIYZWQDG-NRFANRHFSA-N 1 1 480.661 3.222 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCn1cnc2ccccc21 ZINC001305505956 1068742119 /nfs/dbraw/zinc/74/21/19/1068742119.db2.gz PZIOLQNIYZWQDG-NRFANRHFSA-N 1 1 480.661 3.222 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001305506294 1068742521 /nfs/dbraw/zinc/74/25/21/1068742521.db2.gz SMFZUZFZGMDAQP-QNWVGRARSA-N 1 1 462.683 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001305506294 1068742526 /nfs/dbraw/zinc/74/25/26/1068742526.db2.gz SMFZUZFZGMDAQP-QNWVGRARSA-N 1 1 462.683 3.233 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001305506937 1068743957 /nfs/dbraw/zinc/74/39/57/1068743957.db2.gz XETQRLVVOOSNRG-YADHBBJMSA-N 1 1 498.672 3.402 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001305506937 1068743971 /nfs/dbraw/zinc/74/39/71/1068743971.db2.gz XETQRLVVOOSNRG-YADHBBJMSA-N 1 1 498.672 3.402 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(Cc3noc(C)n3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305510229 1068750092 /nfs/dbraw/zinc/75/00/92/1068750092.db2.gz OOJXWIUNGVUSGL-UYAOXDASSA-N 1 1 458.655 3.316 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305514106 1068759448 /nfs/dbraw/zinc/75/94/48/1068759448.db2.gz DFRNKPPBCYFXRF-SLFFLAALSA-N 1 1 477.698 3.310 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1Br ZINC001305515035 1068761720 /nfs/dbraw/zinc/76/17/20/1068761720.db2.gz RJFVVESVDOOEAS-XLIONFOSSA-N 1 1 489.462 3.345 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1Br ZINC001305515020 1068761890 /nfs/dbraw/zinc/76/18/90/1068761890.db2.gz RJFVVESVDOOEAS-FXAWDEMLSA-N 1 1 489.462 3.345 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2)CC1 ZINC001305516000 1068763532 /nfs/dbraw/zinc/76/35/32/1068763532.db2.gz HUPUIBRVHDLADL-QHCPKHFHSA-N 1 1 458.002 3.391 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)CC1 ZINC001305515888 1068763593 /nfs/dbraw/zinc/76/35/93/1068763593.db2.gz GJKWKGXGSJJWSK-HSZRJFAPSA-N 1 1 459.594 3.199 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(C)ccc2Br)CC1 ZINC001305518043 1068767154 /nfs/dbraw/zinc/76/71/54/1068767154.db2.gz WDOGRPKGEABOMR-NRFANRHFSA-N 1 1 458.400 3.263 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)CSCc2ccccc2)CC1 ZINC001305518095 1068767169 /nfs/dbraw/zinc/76/71/69/1068767169.db2.gz XJCSAXREWDJTSV-URXFXBBRSA-N 1 1 453.652 3.448 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)CSCc2ccccc2)CC1 ZINC001305518098 1068767662 /nfs/dbraw/zinc/76/76/62/1068767662.db2.gz XJCSAXREWDJTSV-ZJSXRUAMSA-N 1 1 453.652 3.448 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305519485 1068769800 /nfs/dbraw/zinc/76/98/00/1068769800.db2.gz BFIYXNQSBSUKNH-VQTJNVASSA-N 1 1 488.681 3.292 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001305522375 1068774984 /nfs/dbraw/zinc/77/49/84/1068774984.db2.gz IMZOKVVRBKJLQO-DHIUTWEWSA-N 1 1 483.705 3.400 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305525339 1068778122 /nfs/dbraw/zinc/77/81/22/1068778122.db2.gz DPXZEOLAELMXLD-JOCHJYFZSA-N 1 1 483.705 3.400 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305525404 1068778690 /nfs/dbraw/zinc/77/86/90/1068778690.db2.gz WBPCIXMAIXMDOD-HXUWFJFHSA-N 1 1 456.635 3.238 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305525761 1068779258 /nfs/dbraw/zinc/77/92/58/1068779258.db2.gz FUFHQGJLTZCKHA-NRFANRHFSA-N 1 1 469.678 3.153 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305525761 1068779261 /nfs/dbraw/zinc/77/92/61/1068779261.db2.gz FUFHQGJLTZCKHA-NRFANRHFSA-N 1 1 469.678 3.153 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305525761 1068779265 /nfs/dbraw/zinc/77/92/65/1068779265.db2.gz FUFHQGJLTZCKHA-NRFANRHFSA-N 1 1 469.678 3.153 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccccc3C)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305527766 1068781155 /nfs/dbraw/zinc/78/11/55/1068781155.db2.gz RRYKALZCMGTFGV-QFIPXVFZSA-N 1 1 453.679 3.454 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305529014 1068783104 /nfs/dbraw/zinc/78/31/04/1068783104.db2.gz OMFYTHLADHPIQY-QIJUGHKUSA-N 1 1 470.666 3.024 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305528989 1068783743 /nfs/dbraw/zinc/78/37/43/1068783743.db2.gz XTRSUGARTAAWTN-IBGZPJMESA-N 1 1 475.085 3.193 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305528989 1068783753 /nfs/dbraw/zinc/78/37/53/1068783753.db2.gz XTRSUGARTAAWTN-IBGZPJMESA-N 1 1 475.085 3.193 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305528989 1068783765 /nfs/dbraw/zinc/78/37/65/1068783765.db2.gz XTRSUGARTAAWTN-IBGZPJMESA-N 1 1 475.085 3.193 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305530214 1068785473 /nfs/dbraw/zinc/78/54/73/1068785473.db2.gz LEGLQPAGUZABPC-NJYVYQBISA-N 1 1 460.667 3.272 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC1(OCCOC)CCOCC1 ZINC001305531324 1068787486 /nfs/dbraw/zinc/78/74/86/1068787486.db2.gz UDWLBAMWICZIOU-SFTDATJTSA-N 1 1 463.667 3.314 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001305533397 1068792680 /nfs/dbraw/zinc/79/26/80/1068792680.db2.gz GMVQXRNGPLEMLH-XPWALMASSA-N 1 1 487.737 3.293 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001305534336 1068794114 /nfs/dbraw/zinc/79/41/14/1068794114.db2.gz JUHXBTPFEZFAMJ-QZTJIDSGSA-N 1 1 455.607 3.020 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305534811 1068794780 /nfs/dbraw/zinc/79/47/80/1068794780.db2.gz IWBGNKONSFOASK-HJOGWXRNSA-N 1 1 487.737 3.437 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001305535828 1068796727 /nfs/dbraw/zinc/79/67/27/1068796727.db2.gz BQAHMGXHCAVASM-GOSISDBHSA-N 1 1 488.681 3.331 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCCNC(=O)c1occc1C ZINC001305536192 1068798041 /nfs/dbraw/zinc/79/80/41/1068798041.db2.gz DDNIODYUJMCQEG-GOSISDBHSA-N 1 1 496.660 3.186 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CC1(SC)CCOCC1 ZINC001305537682 1068801294 /nfs/dbraw/zinc/80/12/94/1068801294.db2.gz JFRBIXNGWHMFEN-SFHVURJKSA-N 1 1 475.707 3.376 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001305539047 1068806112 /nfs/dbraw/zinc/80/61/12/1068806112.db2.gz OGVCWSRVZQYJDT-AFXVXQJMSA-N 1 1 471.646 3.026 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540035 1068808640 /nfs/dbraw/zinc/80/86/40/1068808640.db2.gz HXGMUNVBRPBAEJ-JBRSBNLGSA-N 1 1 495.716 3.445 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540035 1068808657 /nfs/dbraw/zinc/80/86/57/1068808657.db2.gz HXGMUNVBRPBAEJ-JBRSBNLGSA-N 1 1 495.716 3.445 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001305539965 1068808682 /nfs/dbraw/zinc/80/86/82/1068808682.db2.gz SMSDTEZFDJXHIH-AVRWGWEMSA-N 1 1 457.667 3.405 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@@H+](C)C(C)C ZINC001305541558 1068812614 /nfs/dbraw/zinc/81/26/14/1068812614.db2.gz NYHFYSZAKHXYPG-HXUWFJFHSA-N 1 1 456.635 3.225 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccc(Br)n1 ZINC001305542644 1068815502 /nfs/dbraw/zinc/81/55/02/1068815502.db2.gz OYVFZXVFDJUHGU-AEFFLSMTSA-N 1 1 463.424 3.298 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1OC ZINC001305544271 1068820038 /nfs/dbraw/zinc/82/00/38/1068820038.db2.gz GQOPVAILJFLSKK-QZNHQXDQSA-N 1 1 457.619 3.044 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001305545525 1068823363 /nfs/dbraw/zinc/82/33/63/1068823363.db2.gz NZBUHHCQMXNLBI-RBUKOAKNSA-N 1 1 452.644 3.206 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001305545674 1068823521 /nfs/dbraw/zinc/82/35/21/1068823521.db2.gz OXYWYLGJHZFRPM-RBUKOAKNSA-N 1 1 453.591 3.414 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1Cc1cccc(C2OCCO2)c1 ZINC001305547011 1068826432 /nfs/dbraw/zinc/82/64/32/1068826432.db2.gz XIWHDOLHWRLFDG-DENIHFKCSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001305549096 1068828177 /nfs/dbraw/zinc/82/81/77/1068828177.db2.gz WJGLYFQZLJOPPN-ABSDTBQOSA-N 1 1 460.026 3.304 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305550664 1068829735 /nfs/dbraw/zinc/82/97/35/1068829735.db2.gz JMOOEEPOHKIAAR-TUNNFDKTSA-N 1 1 481.645 3.175 20 0 JGADMO CC[C@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305555287 1068833459 /nfs/dbraw/zinc/83/34/59/1068833459.db2.gz XWKDKYIHLCOBNV-DLBZAZTESA-N 1 1 468.572 3.053 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305558979 1068836372 /nfs/dbraw/zinc/83/63/72/1068836372.db2.gz DPCCPSSUYYFRHG-QTJGBDASSA-N 1 1 471.646 3.433 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305568401 1068843278 /nfs/dbraw/zinc/84/32/78/1068843278.db2.gz WAMBCCYPYJWEJZ-ZCNNSNEGSA-N 1 1 475.638 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305568174 1068843495 /nfs/dbraw/zinc/84/34/95/1068843495.db2.gz VRFZKLLMINDWNM-DFQSSKMNSA-N 1 1 462.664 3.371 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305569976 1068844219 /nfs/dbraw/zinc/84/42/19/1068844219.db2.gz OQJIFUBRTPSWNP-HSALFYBXSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305579841 1068851173 /nfs/dbraw/zinc/85/11/73/1068851173.db2.gz WTWADAHHHQKUIC-QRVBRYPASA-N 1 1 457.623 3.296 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305579841 1068851192 /nfs/dbraw/zinc/85/11/92/1068851192.db2.gz WTWADAHHHQKUIC-QRVBRYPASA-N 1 1 457.623 3.296 20 0 JGADMO CC[C@@H](C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305598444 1068862430 /nfs/dbraw/zinc/86/24/30/1068862430.db2.gz KSWLNNSTUCSPRI-LJQANCHMSA-N 1 1 491.706 3.221 20 0 JGADMO CC[C@@H](C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305598444 1068862448 /nfs/dbraw/zinc/86/24/48/1068862448.db2.gz KSWLNNSTUCSPRI-LJQANCHMSA-N 1 1 491.706 3.221 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001305602562 1068865691 /nfs/dbraw/zinc/86/56/91/1068865691.db2.gz CMJGQOWKXJKJOJ-DLBZAZTESA-N 1 1 476.638 3.024 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001305603035 1068866350 /nfs/dbraw/zinc/86/63/50/1068866350.db2.gz ICRWILNKWFZKRY-ZWKOTPCHSA-N 1 1 460.627 3.037 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001305603668 1068867753 /nfs/dbraw/zinc/86/77/53/1068867753.db2.gz AJKLTDZMLMWSGT-GHTZIAJQSA-N 1 1 495.093 3.333 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC001305603389 1068867866 /nfs/dbraw/zinc/86/78/66/1068867866.db2.gz KFLSMZBEJNAKTG-QUCCMNQESA-N 1 1 470.618 3.259 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001305603834 1068868372 /nfs/dbraw/zinc/86/83/72/1068868372.db2.gz DIEVQZUEJPWXOO-WIYYLYMNSA-N 1 1 469.663 3.229 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)Cc1cnn(C)c1 ZINC001305604082 1068869362 /nfs/dbraw/zinc/86/93/62/1068869362.db2.gz DMKQLRQMOQMOGJ-GOSISDBHSA-N 1 1 453.591 3.207 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001305604803 1068870900 /nfs/dbraw/zinc/87/09/00/1068870900.db2.gz DJMGAXZQOUHPGG-INIZCTEOSA-N 1 1 455.994 3.459 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001305606159 1068872995 /nfs/dbraw/zinc/87/29/95/1068872995.db2.gz LFYFBDSVLSQRGJ-DLBZAZTESA-N 1 1 498.491 3.451 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001305606418 1068873952 /nfs/dbraw/zinc/87/39/52/1068873952.db2.gz ICJYKBZHHULKES-GOSISDBHSA-N 1 1 486.571 3.393 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001305606817 1068874568 /nfs/dbraw/zinc/87/45/68/1068874568.db2.gz WCCKXTGWDNRPDC-OALUTQOASA-N 1 1 476.069 3.122 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001305606817 1068874581 /nfs/dbraw/zinc/87/45/81/1068874581.db2.gz WCCKXTGWDNRPDC-OALUTQOASA-N 1 1 476.069 3.122 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001305606951 1068874689 /nfs/dbraw/zinc/87/46/89/1068874689.db2.gz OFXFPIKOIZWJEG-PZJWPPBQSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001305606818 1068874780 /nfs/dbraw/zinc/87/47/80/1068874780.db2.gz WCCKXTGWDNRPDC-RBUKOAKNSA-N 1 1 476.069 3.122 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001305606818 1068874786 /nfs/dbraw/zinc/87/47/86/1068874786.db2.gz WCCKXTGWDNRPDC-RBUKOAKNSA-N 1 1 476.069 3.122 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001305607452 1068875803 /nfs/dbraw/zinc/87/58/03/1068875803.db2.gz PQCACWYSVLVLTK-IBGZPJMESA-N 1 1 499.685 3.132 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)C(=O)NC ZINC001305607469 1068875922 /nfs/dbraw/zinc/87/59/22/1068875922.db2.gz PUHDGGAFIHWVOV-HOTGVXAUSA-N 1 1 465.440 3.256 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001305607573 1068876709 /nfs/dbraw/zinc/87/67/09/1068876709.db2.gz QPSGVJQMUVXSOJ-QZTJIDSGSA-N 1 1 466.552 3.489 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001305607638 1068876725 /nfs/dbraw/zinc/87/67/25/1068876725.db2.gz NAXIEVVRYCDJNS-QRQCRPRQSA-N 1 1 464.973 3.499 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 ZINC001305608764 1068880454 /nfs/dbraw/zinc/88/04/54/1068880454.db2.gz QSWQJIOGZABHDD-QZTJIDSGSA-N 1 1 460.598 3.250 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001305609283 1068881189 /nfs/dbraw/zinc/88/11/89/1068881189.db2.gz SGZMWLSEBGPFPY-RBUKOAKNSA-N 1 1 482.633 3.259 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001305609453 1068881852 /nfs/dbraw/zinc/88/18/52/1068881852.db2.gz DHMSLXKVSQMDOK-SFTDATJTSA-N 1 1 467.662 3.324 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001305609453 1068881861 /nfs/dbraw/zinc/88/18/61/1068881861.db2.gz DHMSLXKVSQMDOK-SFTDATJTSA-N 1 1 467.662 3.324 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001305609465 1068881988 /nfs/dbraw/zinc/88/19/88/1068881988.db2.gz DNIUDIMGULNKRG-YLJYHZDGSA-N 1 1 466.586 3.141 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001305609455 1068882028 /nfs/dbraw/zinc/88/20/28/1068882028.db2.gz DHTMEDKYPNPOLB-LOKHSYKPSA-N 1 1 457.648 3.344 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC001305609517 1068882502 /nfs/dbraw/zinc/88/25/02/1068882502.db2.gz VGEVGMOLARCWKT-QNWVGRARSA-N 1 1 499.704 3.394 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305609630 1068882573 /nfs/dbraw/zinc/88/25/73/1068882573.db2.gz WQGQUQJUDKZGRI-MAUKXSAKSA-N 1 1 493.450 3.161 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001305610681 1068885206 /nfs/dbraw/zinc/88/52/06/1068885206.db2.gz ZQGNLPXLGOVFJZ-LJQANCHMSA-N 1 1 490.718 3.491 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001305610888 1068885283 /nfs/dbraw/zinc/88/52/83/1068885283.db2.gz JKAFQCRHEQFRHG-IBGZPJMESA-N 1 1 452.607 3.192 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001305610956 1068885440 /nfs/dbraw/zinc/88/54/40/1068885440.db2.gz XKEFNRDVIMEPDE-KRWDZBQOSA-N 1 1 460.026 3.323 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001305610929 1068885461 /nfs/dbraw/zinc/88/54/61/1068885461.db2.gz XEDKWSVXEWNMKF-SUMDDJOVSA-N 1 1 491.434 3.373 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001305611409 1068886161 /nfs/dbraw/zinc/88/61/61/1068886161.db2.gz ZZDCFAJQNLRDJX-NMNUPHIUSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001305611411 1068886188 /nfs/dbraw/zinc/88/61/88/1068886188.db2.gz ZZDCFAJQNLRDJX-TZYHBYERSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001305611906 1068886712 /nfs/dbraw/zinc/88/67/12/1068886712.db2.gz OLSRZAODYJNBHN-KBMIEXCESA-N 1 1 457.619 3.458 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001305611959 1068887046 /nfs/dbraw/zinc/88/70/46/1068887046.db2.gz AQJAIPQQKLNNDU-SFTDATJTSA-N 1 1 455.651 3.367 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001305613119 1068888487 /nfs/dbraw/zinc/88/84/87/1068888487.db2.gz DOOZDJOQZOFDOT-GBESFXJTSA-N 1 1 461.611 3.334 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001305613123 1068889039 /nfs/dbraw/zinc/88/90/39/1068889039.db2.gz DOOZDJOQZOFDOT-OTWHNJEPSA-N 1 1 461.611 3.334 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001305613424 1068889173 /nfs/dbraw/zinc/88/91/73/1068889173.db2.gz ILVXTSGSXRYBAX-AZUAARDMSA-N 1 1 468.606 3.463 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCn1cccn1 ZINC001305613628 1068890116 /nfs/dbraw/zinc/89/01/16/1068890116.db2.gz GRGMLUBEXYSRRH-FQEVSTJZSA-N 1 1 488.681 3.456 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CO)CC1 ZINC001305614101 1068890600 /nfs/dbraw/zinc/89/06/00/1068890600.db2.gz JMSLDVUEYVRLSD-IBGZPJMESA-N 1 1 478.682 3.332 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC001305614417 1068891433 /nfs/dbraw/zinc/89/14/33/1068891433.db2.gz KPVPEFAUHQNKKA-YYWHXJBOSA-N 1 1 470.618 3.318 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC ZINC001305614430 1068891482 /nfs/dbraw/zinc/89/14/82/1068891482.db2.gz KTTUWEOYTHDTKP-MOPGFXCFSA-N 1 1 452.644 3.206 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001305615003 1068892003 /nfs/dbraw/zinc/89/20/03/1068892003.db2.gz RDXUOXAHGPWOJA-NRFANRHFSA-N 1 1 480.661 3.048 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001305615004 1068892098 /nfs/dbraw/zinc/89/20/98/1068892098.db2.gz RDXUOXAHGPWOJA-OAQYLSRUSA-N 1 1 480.661 3.048 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001305614977 1068892136 /nfs/dbraw/zinc/89/21/36/1068892136.db2.gz NZHFFTGYOAFVLK-RBBKRZOGSA-N 1 1 468.646 3.301 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305615163 1068892608 /nfs/dbraw/zinc/89/26/08/1068892608.db2.gz OYQRDIVEMOCXFB-HOTGVXAUSA-N 1 1 459.620 3.249 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001305615797 1068894235 /nfs/dbraw/zinc/89/42/35/1068894235.db2.gz CMBXRLTWACUYID-PKOBYXMFSA-N 1 1 493.699 3.071 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001305615797 1068894244 /nfs/dbraw/zinc/89/42/44/1068894244.db2.gz CMBXRLTWACUYID-PKOBYXMFSA-N 1 1 493.699 3.071 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001305616121 1068895053 /nfs/dbraw/zinc/89/50/53/1068895053.db2.gz ZEZUKQPYBZHPPM-CVEARBPZSA-N 1 1 459.620 3.433 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001305616138 1068895118 /nfs/dbraw/zinc/89/51/18/1068895118.db2.gz ZMMSOYGFMBXCMI-KSZLIROESA-N 1 1 460.648 3.415 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305616622 1068895935 /nfs/dbraw/zinc/89/59/35/1068895935.db2.gz HNBAIROLUVVDLQ-UFYCRDLUSA-N 1 1 494.681 3.321 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305616812 1068896511 /nfs/dbraw/zinc/89/65/11/1068896511.db2.gz IMBKYZIZPLCVFW-QZTJIDSGSA-N 1 1 450.628 3.006 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1C ZINC001305617114 1068898298 /nfs/dbraw/zinc/89/82/98/1068898298.db2.gz KPHYXDNTPDSEJX-JTSKRJEESA-N 1 1 453.591 3.199 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001305617712 1068898831 /nfs/dbraw/zinc/89/88/31/1068898831.db2.gz IUUAIBTYFNRFEU-SFTDATJTSA-N 1 1 471.646 3.382 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305617973 1068900684 /nfs/dbraw/zinc/90/06/84/1068900684.db2.gz BIEWIGPUSNCRNG-IFMALSPDSA-N 1 1 473.687 3.492 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001305620493 1068904750 /nfs/dbraw/zinc/90/47/50/1068904750.db2.gz LKVHDWKIRWIQPE-STWLZBDKSA-N 1 1 457.619 3.280 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001305620506 1068905570 /nfs/dbraw/zinc/90/55/70/1068905570.db2.gz WOOUMDIMRSZPKI-FUDKSRODSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001305620376 1068905599 /nfs/dbraw/zinc/90/55/99/1068905599.db2.gz VJOWRHWDCYKAMA-RHGYRFJNSA-N 1 1 463.573 3.262 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001305621047 1068907081 /nfs/dbraw/zinc/90/70/81/1068907081.db2.gz YAJCTNDZOMQENJ-RXVVDRJESA-N 1 1 459.038 3.454 20 0 JGADMO CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001305621629 1068908099 /nfs/dbraw/zinc/90/80/99/1068908099.db2.gz CJFCPWGXNHVBHQ-FQEVSTJZSA-N 1 1 476.629 3.232 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001305622263 1068910308 /nfs/dbraw/zinc/91/03/08/1068910308.db2.gz ZDAFZMCJHAAGMR-WOJBJXKFSA-N 1 1 471.650 3.440 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305622897 1068911878 /nfs/dbraw/zinc/91/18/78/1068911878.db2.gz QZOKSMCIEJQTSW-IBGZPJMESA-N 1 1 489.640 3.357 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305623071 1068912507 /nfs/dbraw/zinc/91/25/07/1068912507.db2.gz WJLXTJJHQXSABX-IRLDBZIGSA-N 1 1 477.675 3.299 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@@H](c3nc(C)no3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305623188 1068913228 /nfs/dbraw/zinc/91/32/28/1068913228.db2.gz SMVDVNPCSGESHD-NRYAXDJKSA-N 1 1 475.638 3.124 20 0 JGADMO CC[C@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001305623518 1068913835 /nfs/dbraw/zinc/91/38/35/1068913835.db2.gz LMRCITSNTGHAHQ-NZQKXSOJSA-N 1 1 468.646 3.279 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001305623412 1068914311 /nfs/dbraw/zinc/91/43/11/1068914311.db2.gz UDDPVRMYIARTLD-INIZCTEOSA-N 1 1 451.040 3.233 20 0 JGADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC001305623811 1068915687 /nfs/dbraw/zinc/91/56/87/1068915687.db2.gz NJRUIDGCHNJMRJ-RTWAWAEBSA-N 1 1 491.640 3.074 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001305628764 1068929793 /nfs/dbraw/zinc/92/97/93/1068929793.db2.gz PLMGYLLHWSOTJJ-OALUTQOASA-N 1 1 468.602 3.153 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001305628768 1068929871 /nfs/dbraw/zinc/92/98/71/1068929871.db2.gz PLMGYLLHWSOTJJ-RTBURBONSA-N 1 1 468.602 3.153 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305632688 1068939951 /nfs/dbraw/zinc/93/99/51/1068939951.db2.gz MUUKWJPUJVBFRR-RJGXRXQPSA-N 1 1 481.689 3.245 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305635831 1068946163 /nfs/dbraw/zinc/94/61/63/1068946163.db2.gz TYQDGVSHCHYXOA-IFMALSPDSA-N 1 1 476.629 3.141 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305639882 1068954872 /nfs/dbraw/zinc/95/48/72/1068954872.db2.gz XPWUBYPRQMDKCI-UYAOXDASSA-N 1 1 460.648 3.208 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305639878 1068954900 /nfs/dbraw/zinc/95/49/00/1068954900.db2.gz XPWUBYPRQMDKCI-AZUAARDMSA-N 1 1 460.648 3.208 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305641137 1068958534 /nfs/dbraw/zinc/95/85/34/1068958534.db2.gz RSQHWIKHVPSJDS-JOCHJYFZSA-N 1 1 475.641 3.281 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001305642180 1068961983 /nfs/dbraw/zinc/96/19/83/1068961983.db2.gz OXYAJFAJUCVIBF-WXVAWEFUSA-N 1 1 498.672 3.080 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001305642179 1068962004 /nfs/dbraw/zinc/96/20/04/1068962004.db2.gz OXYAJFAJUCVIBF-CUNXSJBXSA-N 1 1 498.672 3.080 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001305643594 1068966448 /nfs/dbraw/zinc/96/64/48/1068966448.db2.gz NISAWCMZZGSQRM-IRLDBZIGSA-N 1 1 468.646 3.051 20 0 JGADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001305643548 1068966524 /nfs/dbraw/zinc/96/65/24/1068966524.db2.gz LWCRRMPJSYLSEE-FGZHOGPDSA-N 1 1 495.716 3.059 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001305644843 1068970967 /nfs/dbraw/zinc/97/09/67/1068970967.db2.gz PMPFTXHZIZKZEP-KSEOMHKRSA-N 1 1 454.619 3.145 20 0 JGADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCCn2cc[nH+]c2C)CC1 ZINC001305645911 1068974206 /nfs/dbraw/zinc/97/42/06/1068974206.db2.gz OCJPSYHRYBSMTF-IBGZPJMESA-N 1 1 499.063 3.230 20 0 JGADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001305651043 1068988540 /nfs/dbraw/zinc/98/85/40/1068988540.db2.gz XIZMBAATZCGBDC-BDTNDASRSA-N 1 1 487.737 3.339 20 0 JGADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001305651407 1068989109 /nfs/dbraw/zinc/98/91/09/1068989109.db2.gz ZNVDGTMPHFXWIW-FCHUYYIVSA-N 1 1 475.726 3.168 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(C)(C)COC)c1ccccc1 ZINC001305658539 1068998311 /nfs/dbraw/zinc/99/83/11/1068998311.db2.gz FAPRYHIDDULWGB-FTBPSBKWSA-N 1 1 496.700 3.481 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305659494 1068999765 /nfs/dbraw/zinc/99/97/65/1068999765.db2.gz IXAGUCHFDHFGMF-NEUULRRLSA-N 1 1 482.673 3.376 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001305660466 1069000650 /nfs/dbraw/zinc/00/06/50/1069000650.db2.gz MWCUJLYMDDYFKM-MZYLBHOOSA-N 1 1 482.673 3.139 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305662262 1069002467 /nfs/dbraw/zinc/00/24/67/1069002467.db2.gz UAZYDOHRBHGLMS-GMKZXUHWSA-N 1 1 482.673 3.282 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@H](C(=O)OC)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001305662537 1069002879 /nfs/dbraw/zinc/00/28/79/1069002879.db2.gz UYGYSKZFUBLJRD-PABCKOPISA-N 1 1 469.630 3.319 20 0 JGADMO CC[C@H](c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001305664746 1069007244 /nfs/dbraw/zinc/00/72/44/1069007244.db2.gz DYZVDUXBDACTFV-REWPJTCUSA-N 1 1 488.702 3.070 20 0 JGADMO CC[C@H](c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001305667889 1069011514 /nfs/dbraw/zinc/01/15/14/1069011514.db2.gz SVFMXIHBYRMKKY-REWPJTCUSA-N 1 1 488.702 3.022 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC[S@](=O)CC)c1ccccc1 ZINC001305671691 1069019256 /nfs/dbraw/zinc/01/92/56/1069019256.db2.gz QQYWXJBHHUMINR-OHWKKVTOSA-N 1 1 483.686 3.034 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC[S@](=O)CC)c1ccccc1 ZINC001305671691 1069019276 /nfs/dbraw/zinc/01/92/76/1069019276.db2.gz QQYWXJBHHUMINR-OHWKKVTOSA-N 1 1 483.686 3.034 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001305673226 1069023505 /nfs/dbraw/zinc/02/35/05/1069023505.db2.gz YGAAQZXXWQZQGE-IRLDBZIGSA-N 1 1 459.660 3.175 20 0 JGADMO CC[C@H](c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCCNC(C)=O)c1ccccc1 ZINC001305676587 1069030310 /nfs/dbraw/zinc/03/03/10/1069030310.db2.gz HJBXNLNRWXCCKB-DEOSSOPVSA-N 1 1 492.672 3.019 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001305676613 1069031009 /nfs/dbraw/zinc/03/10/09/1069031009.db2.gz HKMLLUHKNCNASY-WMZOPIPTSA-N 1 1 452.525 3.029 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677069 1069031793 /nfs/dbraw/zinc/03/17/93/1069031793.db2.gz WEAZZNOMIVDKGZ-RPBOFIJWSA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677069 1069031809 /nfs/dbraw/zinc/03/18/09/1069031809.db2.gz WEAZZNOMIVDKGZ-RPBOFIJWSA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305679310 1069036637 /nfs/dbraw/zinc/03/66/37/1069036637.db2.gz HTDUHMPSQPNZRH-VXKWHMMOSA-N 1 1 484.645 3.256 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305679310 1069036647 /nfs/dbraw/zinc/03/66/47/1069036647.db2.gz HTDUHMPSQPNZRH-VXKWHMMOSA-N 1 1 484.645 3.256 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC1(C(N)=O)CCCC1)c1ccccc1 ZINC001305679393 1069037657 /nfs/dbraw/zinc/03/76/57/1069037657.db2.gz YAJRAJARQANIIS-UNMCSNQZSA-N 1 1 468.646 3.023 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001305679633 1069038357 /nfs/dbraw/zinc/03/83/57/1069038357.db2.gz YQPYASRPIBAMNT-VWNXMTODSA-N 1 1 484.689 3.088 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)OC ZINC001305686902 1069048306 /nfs/dbraw/zinc/04/83/06/1069048306.db2.gz LHOXMBSPJDEZOX-KNQAVFIVSA-N 1 1 487.645 3.324 20 0 JGADMO CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)SC ZINC001305692213 1069060337 /nfs/dbraw/zinc/06/03/37/1069060337.db2.gz CSUZCFLCCBQWNP-SFHVURJKSA-N 1 1 459.664 3.346 20 0 JGADMO CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001305692630 1069061208 /nfs/dbraw/zinc/06/12/08/1069061208.db2.gz IPQURZFGIWDSTR-DENIHFKCSA-N 1 1 460.667 3.130 20 0 JGADMO CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)SC ZINC001305693793 1069064632 /nfs/dbraw/zinc/06/46/32/1069064632.db2.gz AAWLCJMLMIRZPR-FQEVSTJZSA-N 1 1 461.680 3.150 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccco2)C1)[NH+]1CCOCC1 ZINC001305705572 1069094209 /nfs/dbraw/zinc/09/42/09/1069094209.db2.gz LAWUNNODBAZACG-LEWJYISDSA-N 1 1 472.634 3.140 20 0 JGADMO CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)on1 ZINC001305715303 1069120167 /nfs/dbraw/zinc/12/01/67/1069120167.db2.gz KBUQVZIVEZSQEP-KRWDZBQOSA-N 1 1 466.590 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1Cc1cnn(C)c1 ZINC001305721165 1069131054 /nfs/dbraw/zinc/13/10/54/1069131054.db2.gz GXLBBJNXRDJGEN-QHCPKHFHSA-N 1 1 478.645 3.079 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CC[N@H+]1CCC[C@H]1C ZINC001305726351 1069143582 /nfs/dbraw/zinc/14/35/82/1069143582.db2.gz YZUSFMZWUYKRLN-GOSISDBHSA-N 1 1 470.618 3.088 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001305729014 1069149469 /nfs/dbraw/zinc/14/94/69/1069149469.db2.gz XMDGODSFMKXNEJ-QHCPKHFHSA-N 1 1 468.646 3.260 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1CCSC1(C)C ZINC001305730200 1069150647 /nfs/dbraw/zinc/15/06/47/1069150647.db2.gz FSNMQRNRKPLMRF-GOSISDBHSA-N 1 1 480.723 3.275 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1CCSC1(C)C ZINC001305730200 1069150652 /nfs/dbraw/zinc/15/06/52/1069150652.db2.gz FSNMQRNRKPLMRF-GOSISDBHSA-N 1 1 480.723 3.275 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCc2cccnc21 ZINC001305733113 1069152283 /nfs/dbraw/zinc/15/22/83/1069152283.db2.gz XHQFEOMFPDYLJR-OAQYLSRUSA-N 1 1 497.688 3.259 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCc2cccnc21 ZINC001305733113 1069152289 /nfs/dbraw/zinc/15/22/89/1069152289.db2.gz XHQFEOMFPDYLJR-OAQYLSRUSA-N 1 1 497.688 3.259 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCc1ccccc1F ZINC001305735726 1069156652 /nfs/dbraw/zinc/15/66/52/1069156652.db2.gz KJZJZEZHXNNRJG-WMZHIEFXSA-N 1 1 486.636 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001305737719 1069161396 /nfs/dbraw/zinc/16/13/96/1069161396.db2.gz AIJQUZFZSRGKQK-BLJFENDVSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001305737721 1069161692 /nfs/dbraw/zinc/16/16/92/1069161692.db2.gz AIJQUZFZSRGKQK-YPAYRVMASA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC1(C)CCCC1 ZINC001305737790 1069162322 /nfs/dbraw/zinc/16/23/22/1069162322.db2.gz AZZBDWPDGOAPOB-TZIWHRDSSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC1(C)CCCC1 ZINC001305737788 1069162398 /nfs/dbraw/zinc/16/23/98/1069162398.db2.gz AZZBDWPDGOAPOB-PZJWPPBQSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCOc1ncccc1Cl ZINC001305738193 1069162894 /nfs/dbraw/zinc/16/28/94/1069162894.db2.gz LVCYFWAMBABUEC-IAGOWNOFSA-N 1 1 478.041 3.243 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305738316 1069163770 /nfs/dbraw/zinc/16/37/70/1069163770.db2.gz CMDIILFYGMZAEL-NHCUHLMSSA-N 1 1 460.667 3.202 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CCc1ccccc1F ZINC001305739061 1069165592 /nfs/dbraw/zinc/16/55/92/1069165592.db2.gz FPRFGTLHANEOJY-XXBNENTESA-N 1 1 486.636 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@](C)(O)C1CCCCC1 ZINC001305740635 1069171047 /nfs/dbraw/zinc/17/10/47/1069171047.db2.gz QKHIAMPWVGMJIP-CEYNDMKZSA-N 1 1 462.683 3.447 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741419 1069173561 /nfs/dbraw/zinc/17/35/61/1069173561.db2.gz SBPSYEDJJULVHQ-QZTJIDSGSA-N 1 1 469.634 3.122 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCCc1cccc(C)n1 ZINC001305742479 1069176679 /nfs/dbraw/zinc/17/66/79/1069176679.db2.gz WPXCUYKCWFKBLZ-KNQAVFIVSA-N 1 1 453.635 3.206 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCCc1cccc(C)n1 ZINC001305742483 1069176704 /nfs/dbraw/zinc/17/67/04/1069176704.db2.gz WPXCUYKCWFKBLZ-SIKLNZKXSA-N 1 1 453.635 3.206 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCCc1cccc(C)n1 ZINC001305742472 1069176720 /nfs/dbraw/zinc/17/67/20/1069176720.db2.gz WPXCUYKCWFKBLZ-DENIHFKCSA-N 1 1 453.635 3.206 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305742881 1069178145 /nfs/dbraw/zinc/17/81/45/1069178145.db2.gz LJYURRVCARESCW-QGZVFWFLSA-N 1 1 480.617 3.138 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743735 1069180481 /nfs/dbraw/zinc/18/04/81/1069180481.db2.gz YEHUYIOBFLYMDM-RTBURBONSA-N 1 1 498.676 3.257 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1Cc1ccc(C)cc1C ZINC001305743825 1069181221 /nfs/dbraw/zinc/18/12/21/1069181221.db2.gz SYOSMLGJEJOEOH-URXFXBBRSA-N 1 1 482.673 3.409 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1Cc1ccc(C)cc1C ZINC001305743824 1069181280 /nfs/dbraw/zinc/18/12/80/1069181280.db2.gz SYOSMLGJEJOEOH-QPPBQGQZSA-N 1 1 482.673 3.409 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F ZINC001305747446 1069191120 /nfs/dbraw/zinc/19/11/20/1069191120.db2.gz HCEQFOTXWBQBLN-OAQYLSRUSA-N 1 1 474.572 3.086 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3nc(C)no3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305749924 1069194918 /nfs/dbraw/zinc/19/49/18/1069194918.db2.gz CQOCGUCBPOMDKZ-UHFFFAOYSA-N 1 1 486.665 3.394 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H]1CCCOC1 ZINC001305754987 1069206189 /nfs/dbraw/zinc/20/61/89/1069206189.db2.gz IMRQQKSXWONDBA-JTHBVZDNSA-N 1 1 468.646 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](COC)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305756697 1069211335 /nfs/dbraw/zinc/21/13/35/1069211335.db2.gz XYGRYBWDMOSSOM-IBGZPJMESA-N 1 1 483.592 3.351 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305758973 1069219541 /nfs/dbraw/zinc/21/95/41/1069219541.db2.gz NHRVWRAFZUVZMW-AFMDSPMNSA-N 1 1 486.636 3.165 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001305761241 1069227394 /nfs/dbraw/zinc/22/73/94/1069227394.db2.gz JGPFNAHWOZVIAO-OAQYLSRUSA-N 1 1 481.689 3.473 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305761516 1069228289 /nfs/dbraw/zinc/22/82/89/1069228289.db2.gz LEQDUBBMIBGQHY-XMMPIXPASA-N 1 1 498.672 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305762417 1069230393 /nfs/dbraw/zinc/23/03/93/1069230393.db2.gz YIPBQPXLGGFYMQ-CEYNDMKZSA-N 1 1 492.734 3.418 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305762417 1069230407 /nfs/dbraw/zinc/23/04/07/1069230407.db2.gz YIPBQPXLGGFYMQ-CEYNDMKZSA-N 1 1 492.734 3.418 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001305767877 1069240174 /nfs/dbraw/zinc/24/01/74/1069240174.db2.gz SLZJXNREDOIMEH-UUOWRZLLSA-N 1 1 457.623 3.366 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305772138 1069250149 /nfs/dbraw/zinc/25/01/49/1069250149.db2.gz OVMOEKPYAKITRC-PKTZIBPZSA-N 1 1 468.646 3.476 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001305772719 1069251577 /nfs/dbraw/zinc/25/15/77/1069251577.db2.gz JZCOMDFXLVIAKU-OYRHEFFESA-N 1 1 491.725 3.006 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001305772719 1069251583 /nfs/dbraw/zinc/25/15/83/1069251583.db2.gz JZCOMDFXLVIAKU-OYRHEFFESA-N 1 1 491.725 3.006 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001305774369 1069254302 /nfs/dbraw/zinc/25/43/02/1069254302.db2.gz VSLGYBFKGRQOPO-UHFFFAOYSA-N 1 1 468.646 3.456 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001305776413 1069260475 /nfs/dbraw/zinc/26/04/75/1069260475.db2.gz NPRKEXPOQOQPHZ-QGZVFWFLSA-N 1 1 496.582 3.045 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC[NH+]1CCSCC1 ZINC001305777030 1069261561 /nfs/dbraw/zinc/26/15/61/1069261561.db2.gz CASJMMLAQJIWHX-JOCHJYFZSA-N 1 1 486.686 3.213 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305780353 1069270647 /nfs/dbraw/zinc/27/06/47/1069270647.db2.gz CBDOMCFWTLVWSP-UXHICEINSA-N 1 1 487.718 3.483 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305784519 1069280964 /nfs/dbraw/zinc/28/09/64/1069280964.db2.gz WITBABRUWSQRIF-JOCHJYFZSA-N 1 1 479.629 3.419 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CCCn1cc[nH+]c1C ZINC001305784874 1069282788 /nfs/dbraw/zinc/28/27/88/1069282788.db2.gz ZHCVCOYCFAXWBX-UHFFFAOYSA-N 1 1 499.689 3.192 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1cscc1C ZINC001305785264 1069285353 /nfs/dbraw/zinc/28/53/53/1069285353.db2.gz BYZYNKGAVPFVKB-GOSISDBHSA-N 1 1 474.675 3.304 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001305785806 1069288625 /nfs/dbraw/zinc/28/86/25/1069288625.db2.gz LXYALKWGWKKIOD-KRWDZBQOSA-N 1 1 470.618 3.283 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@](C)(O)C1CC1 ZINC001305787317 1069293877 /nfs/dbraw/zinc/29/38/77/1069293877.db2.gz JLFZCOATFDYYQQ-BCHFMIIMSA-N 1 1 468.646 3.068 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC[NH+]1CCCC1 ZINC001305787643 1069294290 /nfs/dbraw/zinc/29/42/90/1069294290.db2.gz NPQNVCCIKDRNAS-OAQYLSRUSA-N 1 1 467.662 3.003 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1ccc(C)s1 ZINC001305787918 1069295809 /nfs/dbraw/zinc/29/58/09/1069295809.db2.gz QBUUMMQGCKQLCS-UHFFFAOYSA-N 1 1 498.701 3.287 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccc(OC)cc1F ZINC001305789890 1069300261 /nfs/dbraw/zinc/30/02/61/1069300261.db2.gz SSNMTEMNZPPWOZ-IBGZPJMESA-N 1 1 458.582 3.067 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCc1ccc(NC(C)=O)cc1 ZINC001305789887 1069300306 /nfs/dbraw/zinc/30/03/06/1069300306.db2.gz SRLIKOQLBBOYQV-QHCPKHFHSA-N 1 1 481.645 3.072 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001305790225 1069301287 /nfs/dbraw/zinc/30/12/87/1069301287.db2.gz UGTXVFWWIAVABG-NZQKXSOJSA-N 1 1 467.662 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](C)c1ncc(C)s1 ZINC001305791082 1069302875 /nfs/dbraw/zinc/30/28/75/1069302875.db2.gz ZEZYXFXFFQJMBZ-APWZRJJASA-N 1 1 459.664 3.440 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](C)c1ncc(C)s1 ZINC001305791090 1069303006 /nfs/dbraw/zinc/30/30/06/1069303006.db2.gz ZEZYXFXFFQJMBZ-QFBILLFUSA-N 1 1 459.664 3.440 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001305791159 1069303344 /nfs/dbraw/zinc/30/33/44/1069303344.db2.gz LUJCZTVMYDTZFQ-PKOBYXMFSA-N 1 1 488.599 3.332 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305792179 1069305521 /nfs/dbraw/zinc/30/55/21/1069305521.db2.gz RUVPWLSVFNSWCP-RXFWQSSRSA-N 1 1 468.646 3.290 20 0 JGADMO COc1ccccc1N1CC[NH+](CCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000045300254 563185484 /nfs/dbraw/zinc/18/54/84/563185484.db2.gz DSZAAHPUTCQKGV-UHFFFAOYSA-N 1 1 482.650 3.405 20 0 JGADMO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1ccccc1S(=O)(=O)Nc1nc3ccccc3nc1Cl)C2 ZINC001164420364 718888360 /nfs/dbraw/zinc/88/83/60/718888360.db2.gz URGBLGFXAMDELH-CWTRNNRKSA-N 1 1 465.913 3.166 20 0 JGADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630107 719091932 /nfs/dbraw/zinc/09/19/32/719091932.db2.gz VIMCOEOHRBCUOL-QAPCUYQASA-N 1 1 456.946 3.028 20 0 JGADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630108 719092235 /nfs/dbraw/zinc/09/22/35/719092235.db2.gz VIMCOEOHRBCUOL-YJBOKZPZSA-N 1 1 456.946 3.028 20 0 JGADMO c1ccc(CN2CCc3nc(N(Cc4noc5c4C[NH2+]CC5)c4ncccn4)ccc3C2)cc1 ZINC001164642898 719267066 /nfs/dbraw/zinc/26/70/66/719267066.db2.gz ZOEJTCWOGILOTH-UHFFFAOYSA-N 1 1 453.550 3.402 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccc(C)cc4)nc4ccccc43)CC2)C1=O ZINC001164638971 719277043 /nfs/dbraw/zinc/27/70/43/719277043.db2.gz GAYOFAIGPHOIIA-UHFFFAOYSA-N 1 1 459.594 3.365 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccc(C)cc4)nc4ccccc43)CC2)C1=O ZINC001164638971 719277046 /nfs/dbraw/zinc/27/70/46/719277046.db2.gz GAYOFAIGPHOIIA-UHFFFAOYSA-N 1 1 459.594 3.365 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)nc4sc5c(c43)CCCCC5)CC2)C1=O ZINC001164644055 719280576 /nfs/dbraw/zinc/28/05/76/719280576.db2.gz AQXMVQPKQXXCQA-UHFFFAOYSA-N 1 1 457.644 3.028 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)nc4sc5c(c43)CCCCC5)CC2)C1=O ZINC001164644055 719280577 /nfs/dbraw/zinc/28/05/77/719280577.db2.gz AQXMVQPKQXXCQA-UHFFFAOYSA-N 1 1 457.644 3.028 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)C2)cc1 ZINC001164649439 719292781 /nfs/dbraw/zinc/29/27/81/719292781.db2.gz WRXLAFSTOCYNKB-CYXNTTPDSA-N 1 1 457.578 3.383 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)C2)cc1 ZINC001164649439 719292783 /nfs/dbraw/zinc/29/27/83/719292783.db2.gz WRXLAFSTOCYNKB-CYXNTTPDSA-N 1 1 457.578 3.383 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc1Cl ZINC001164649018 719307437 /nfs/dbraw/zinc/30/74/37/719307437.db2.gz SXDLVBGNFQYQKH-UHFFFAOYSA-N 1 1 456.925 3.253 20 0 JGADMO Cc1cc2c(ncnc2N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1S(=O)(=O)c1ccccc1 ZINC001164646836 719309109 /nfs/dbraw/zinc/30/91/09/719309109.db2.gz IYPSMYSMNRCKOC-UHFFFAOYSA-N 1 1 493.637 3.378 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)CC2 ZINC001164645943 719309421 /nfs/dbraw/zinc/30/94/21/719309421.db2.gz AGIZXLLDEVLSJD-UHFFFAOYSA-N 1 1 479.610 3.070 20 0 JGADMO CC[C@@H]1C(=O)Nc2cnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc2N1C1CCCC1 ZINC001164648201 719310938 /nfs/dbraw/zinc/31/09/38/719310938.db2.gz GBXJBWIKFVPWQR-OAQYLSRUSA-N 1 1 466.634 3.358 20 0 JGADMO CCS(=O)(=O)c1cc(C(F)(F)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cnc1Cl ZINC001164652669 719318027 /nfs/dbraw/zinc/31/80/27/719318027.db2.gz KRSBDLBSYJZDAH-UHFFFAOYSA-N 1 1 475.993 3.475 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc(F)c(Cl)n4)C3)C2)cc[nH+]1 ZINC001164664966 719356840 /nfs/dbraw/zinc/35/68/40/719356840.db2.gz SXUIJDXQOGOPPT-FQEVSTJZSA-N 1 1 470.927 3.398 20 0 JGADMO CNC(=O)CO[C@H]1COC2(C1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164676857 719554035 /nfs/dbraw/zinc/55/40/35/719554035.db2.gz HIRCQXPFBCRGQU-LJQANCHMSA-N 1 1 487.670 3.185 20 0 JGADMO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(N4CCOCC4)n3)CC2)c2ccccc21 ZINC001164680885 719674654 /nfs/dbraw/zinc/67/46/54/719674654.db2.gz IMXCTGVTZKFKTK-JOCHJYFZSA-N 1 1 477.653 3.012 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@H]3C)nc1 ZINC001164684386 719692953 /nfs/dbraw/zinc/69/29/53/719692953.db2.gz IGKJJEKYMJNTCQ-SIKLNZKXSA-N 1 1 452.603 3.153 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164689371 719740019 /nfs/dbraw/zinc/74/00/19/719740019.db2.gz DBGHXQVHIVVDNF-UHFFFAOYSA-N 1 1 470.687 3.475 20 0 JGADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)n1 ZINC001164689406 719743201 /nfs/dbraw/zinc/74/32/01/719743201.db2.gz FPBPZAZJNDGHJB-UHFFFAOYSA-N 1 1 458.676 3.331 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)nc1 ZINC001164691720 719801100 /nfs/dbraw/zinc/80/11/00/719801100.db2.gz JDMSONDWPNODIN-RTBURBONSA-N 1 1 477.638 3.050 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCCN(c4ncccn4)[C@@H]3C2)n1 ZINC001164691784 719801501 /nfs/dbraw/zinc/80/15/01/719801501.db2.gz JYLNDESDDHJPLR-WOJBJXKFSA-N 1 1 473.606 3.304 20 0 JGADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4scnc4c(N4CCOCC4)n2)CC3)cs1 ZINC001164694468 719806426 /nfs/dbraw/zinc/80/64/26/719806426.db2.gz YNVHAFALJCFBIO-UHFFFAOYSA-N 1 1 471.656 3.323 20 0 JGADMO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2O1 ZINC001164698631 719819319 /nfs/dbraw/zinc/81/93/19/719819319.db2.gz FMXRURGXMDXYER-BVYCBKJFSA-N 1 1 470.017 3.069 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@H]3C2)n1 ZINC001164704862 719920536 /nfs/dbraw/zinc/92/05/36/719920536.db2.gz VHLQKVGWVPAHLB-HSALFYBXSA-N 1 1 487.670 3.403 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@@H]4C3)c2c1C ZINC001164701857 719920838 /nfs/dbraw/zinc/92/08/38/719920838.db2.gz DHFZLVLBFDYHNC-VAMGGRTRSA-N 1 1 485.654 3.157 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)n1 ZINC001164704863 719921299 /nfs/dbraw/zinc/92/12/99/719921299.db2.gz VHLQKVGWVPAHLB-VAMGGRTRSA-N 1 1 487.670 3.403 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164716331 720056242 /nfs/dbraw/zinc/05/62/42/720056242.db2.gz VLFWAOBONXQMBX-LVVCFHABSA-N 1 1 464.614 3.222 20 0 JGADMO Cc1noc([C@]23COC[C@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)C3)n1 ZINC001164798895 720060629 /nfs/dbraw/zinc/06/06/29/720060629.db2.gz AERPTQSKCVDMPS-VOIUYBSRSA-N 1 1 466.611 3.262 20 0 JGADMO Cc1noc([C@@]23COC[C@H]2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)C3)n1 ZINC001164802504 720060708 /nfs/dbraw/zinc/06/07/08/720060708.db2.gz IOIUFQNLGLGAAS-GYCJOSAFSA-N 1 1 466.611 3.262 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)n1 ZINC001164711910 720074937 /nfs/dbraw/zinc/07/49/37/720074937.db2.gz NZMYCIADYHSXGD-MSOLQXFVSA-N 1 1 453.616 3.268 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)n1 ZINC001164711919 720075102 /nfs/dbraw/zinc/07/51/02/720075102.db2.gz NZMYCIADYHSXGD-ROUUACIJSA-N 1 1 453.616 3.268 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1cc(C)n3S(=O)(=O)c1ccccc1)C2 ZINC001164815811 720088117 /nfs/dbraw/zinc/08/81/17/720088117.db2.gz ZUWLBTFBTYEMDT-QFQXNSOFSA-N 1 1 495.649 3.161 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C(=O)OC)cc31)CC2 ZINC001164709753 720100772 /nfs/dbraw/zinc/10/07/72/720100772.db2.gz CUUAMPQRSPAECM-OAQYLSRUSA-N 1 1 461.566 3.319 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164709523 720102976 /nfs/dbraw/zinc/10/29/76/720102976.db2.gz ACHMCCOWJZKDKD-NRFANRHFSA-N 1 1 494.665 3.430 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164718103 720113880 /nfs/dbraw/zinc/11/38/80/720113880.db2.gz RRTUWCGCUSDCED-GOSISDBHSA-N 1 1 459.978 3.209 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164816438 720114827 /nfs/dbraw/zinc/11/48/27/720114827.db2.gz YTWCCGTXNCRHGD-BTYIYWSLSA-N 1 1 455.024 3.213 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)CC2 ZINC001164719107 720116187 /nfs/dbraw/zinc/11/61/87/720116187.db2.gz WGBWVRCXLHYRGX-LJQANCHMSA-N 1 1 479.581 3.261 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC)OCC ZINC001164811143 720116314 /nfs/dbraw/zinc/11/63/14/720116314.db2.gz LRXBLZCHAOWZSQ-WZONZLPQSA-N 1 1 453.027 3.256 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164718073 720116397 /nfs/dbraw/zinc/11/63/97/720116397.db2.gz RKMKBZJJJNRMIJ-QHCPKHFHSA-N 1 1 488.636 3.369 20 0 JGADMO CCOc1ccc(C(=O)OC)c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714934 720123422 /nfs/dbraw/zinc/12/34/22/720123422.db2.gz FRGVEULFKRKKGI-HXUWFJFHSA-N 1 1 454.571 3.169 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c(OC)c1 ZINC001164719144 720127281 /nfs/dbraw/zinc/12/72/81/720127281.db2.gz WPFXOILFSHRAIY-OAQYLSRUSA-N 1 1 454.571 3.169 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001164816463 720133563 /nfs/dbraw/zinc/13/35/63/720133563.db2.gz YYCCTQHPSTULIC-BKMJKUGQSA-N 1 1 463.630 3.109 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1nc(C)n3C)CC2 ZINC001164714847 720138513 /nfs/dbraw/zinc/13/85/13/720138513.db2.gz ZVFRVHMYGMQMEQ-SFHVURJKSA-N 1 1 455.994 3.228 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(C(=O)NCC(C)C)ccc31)C2 ZINC001164811077 720147370 /nfs/dbraw/zinc/14/73/70/720147370.db2.gz LFUWZKSVLUYJHS-HFZDXXHNSA-N 1 1 451.615 3.200 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1S(=O)(=O)N1CCCCC1)CC2 ZINC001164714598 720148533 /nfs/dbraw/zinc/14/85/33/720148533.db2.gz XOHSMNOLSQUEJB-QHCPKHFHSA-N 1 1 499.681 3.159 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(/C=C\C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815989 720149246 /nfs/dbraw/zinc/14/92/46/720149246.db2.gz JOVIDIWPKLYGOY-AELUCMROSA-N 1 1 484.641 3.437 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164715005 720156838 /nfs/dbraw/zinc/15/68/38/720156838.db2.gz RZVBVCPCUXFOGI-HKUYNNGSSA-N 1 1 474.005 3.309 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001164818046 720157970 /nfs/dbraw/zinc/15/79/70/720157970.db2.gz RIXBDKYHXNYXLP-XDHUDOTRSA-N 1 1 456.591 3.490 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@]34CCN(C)C4=O)CC2)nc1 ZINC001164716482 720162598 /nfs/dbraw/zinc/16/25/98/720162598.db2.gz ZSVZJDXCRDDOBX-FIPFOOKPSA-N 1 1 496.700 3.451 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCOCC3)nc3sc(C)c(C)c31)C2 ZINC001164816292 720168154 /nfs/dbraw/zinc/16/81/54/720168154.db2.gz KUOKSLBEJPXCIH-LVXARBLLSA-N 1 1 485.698 3.325 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)C2 ZINC001164814273 720174946 /nfs/dbraw/zinc/17/49/46/720174946.db2.gz FKQSNYJWFMGCHD-WXVAWEFUSA-N 1 1 480.632 3.127 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164815595 720176639 /nfs/dbraw/zinc/17/66/39/720176639.db2.gz IKYSIIYHIHIYCI-IIBYNOLFSA-N 1 1 463.007 3.024 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164815593 720177725 /nfs/dbraw/zinc/17/77/25/720177725.db2.gz IKYSIIYHIHIYCI-IERDGZPVSA-N 1 1 463.007 3.024 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001164817735 720188605 /nfs/dbraw/zinc/18/86/05/720188605.db2.gz QCQMEOOQVWJBQA-HOFKKMOUSA-N 1 1 463.626 3.165 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(N(C)Cc3ccc(OC)cc3)n1)C2 ZINC001164819196 720192006 /nfs/dbraw/zinc/19/20/06/720192006.db2.gz WLPVANXCMFGYIA-BKMJKUGQSA-N 1 1 451.615 3.306 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5cccs5)c43)C2)C1 ZINC001164720341 720229664 /nfs/dbraw/zinc/22/96/64/720229664.db2.gz YTXORPLOHGLPPM-QFIPXVFZSA-N 1 1 457.625 3.085 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5cccs5)c43)C2)C1 ZINC001164720341 720229672 /nfs/dbraw/zinc/22/96/72/720229672.db2.gz YTXORPLOHGLPPM-QFIPXVFZSA-N 1 1 457.625 3.085 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(C3CC3)nnc1Cl)CCC2 ZINC001164814481 720238201 /nfs/dbraw/zinc/23/82/01/720238201.db2.gz UTGBEXWZOFOTOW-UHFFFAOYSA-N 1 1 452.937 3.360 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5ccc(C)cc5)c43)C2)C1 ZINC001164718999 720239430 /nfs/dbraw/zinc/23/94/30/720239430.db2.gz KAFJCXLZSWEQAN-RUZDIDTESA-N 1 1 465.623 3.332 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5ccc(C)cc5)c43)C2)C1 ZINC001164718999 720239436 /nfs/dbraw/zinc/23/94/36/720239436.db2.gz KAFJCXLZSWEQAN-RUZDIDTESA-N 1 1 465.623 3.332 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)COC(=O)Nc1cccnc1Cl)CCC2 ZINC001164818271 720243494 /nfs/dbraw/zinc/24/34/94/720243494.db2.gz YDGCBZXXAXWQEE-UHFFFAOYSA-N 1 1 484.935 3.179 20 0 JGADMO COc1ccc(Oc2cc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc(C)n2)cc1 ZINC001164815194 720243793 /nfs/dbraw/zinc/24/37/93/720243793.db2.gz BQUJJJBPLTTZBQ-UHFFFAOYSA-N 1 1 464.570 3.393 20 0 JGADMO O=C([C@@H]1Cn2nccc2CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164816739 720262855 /nfs/dbraw/zinc/26/28/55/720262855.db2.gz LTCUTZKNULCVIK-QHCPKHFHSA-N 1 1 456.594 3.095 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccsc4)nc4ccccc43)C2)C1 ZINC001164723935 720287139 /nfs/dbraw/zinc/28/71/39/720287139.db2.gz YVNZHAGBHJMZIQ-DEOSSOPVSA-N 1 1 451.596 3.023 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccsc4)nc4ccccc43)C2)C1 ZINC001164723935 720287146 /nfs/dbraw/zinc/28/71/46/720287146.db2.gz YVNZHAGBHJMZIQ-DEOSSOPVSA-N 1 1 451.596 3.023 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccsc4)nc4ccccc43)C2)C1 ZINC001164723939 720288337 /nfs/dbraw/zinc/28/83/37/720288337.db2.gz YVNZHAGBHJMZIQ-XMMPIXPASA-N 1 1 451.596 3.023 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccsc4)nc4ccccc43)C2)C1 ZINC001164723939 720288345 /nfs/dbraw/zinc/28/83/45/720288345.db2.gz YVNZHAGBHJMZIQ-XMMPIXPASA-N 1 1 451.596 3.023 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)C2)C1 ZINC001164721389 720304164 /nfs/dbraw/zinc/30/41/64/720304164.db2.gz GUZVUZIBKTVCRC-JOCHJYFZSA-N 1 1 452.933 3.140 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)C2)C1 ZINC001164721389 720304170 /nfs/dbraw/zinc/30/41/70/720304170.db2.gz GUZVUZIBKTVCRC-JOCHJYFZSA-N 1 1 452.933 3.140 20 0 JGADMO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)[nH+]c2ccccc21 ZINC001164821128 720376933 /nfs/dbraw/zinc/37/69/33/720376933.db2.gz WUINMZUOOKOQNA-UHFFFAOYSA-N 1 1 451.596 3.322 20 0 JGADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@H](CO)C3)O2)n1 ZINC001164830445 720406356 /nfs/dbraw/zinc/40/63/56/720406356.db2.gz QURQEFZJMKHYAP-XGARDCMYSA-N 1 1 498.628 3.071 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164732433 720422115 /nfs/dbraw/zinc/42/21/15/720422115.db2.gz NIIALYDNFZXJRG-NCYKPQTJSA-N 1 1 497.594 3.474 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)ccc-3c2=O)cc1 ZINC001164735337 720429479 /nfs/dbraw/zinc/42/94/79/720429479.db2.gz WHUSAKIUUWHECK-DQEYMECFSA-N 1 1 455.562 3.494 20 0 JGADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164727917 720458836 /nfs/dbraw/zinc/45/88/36/720458836.db2.gz FEOYKGICTSTPJU-VXKWHMMOSA-N 1 1 471.533 3.409 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)nc1 ZINC001164834840 720479773 /nfs/dbraw/zinc/47/97/73/720479773.db2.gz VTTHOGJYXBIXSP-ZCYQVOJMSA-N 1 1 482.673 3.205 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CCOC[C@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)c2)CC1 ZINC001164724818 720496668 /nfs/dbraw/zinc/49/66/68/720496668.db2.gz IDHFPHOFROFFPH-FNZWTVRRSA-N 1 1 470.589 3.418 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836513 720510519 /nfs/dbraw/zinc/51/05/19/720510519.db2.gz MULZJYFVQGFLBQ-SOLBZPMBSA-N 1 1 482.963 3.426 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164834297 720517853 /nfs/dbraw/zinc/51/78/53/720517853.db2.gz FGSQFVDLVSQVPO-DYXWJJEUSA-N 1 1 467.643 3.102 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834302 720518160 /nfs/dbraw/zinc/51/81/60/720518160.db2.gz FGSQFVDLVSQVPO-SVFBPWRDSA-N 1 1 467.643 3.102 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)CC[C@@H]21 ZINC001164840578 720518960 /nfs/dbraw/zinc/51/89/60/720518960.db2.gz WJRPHCYRHBLHNK-IKGGRYGDSA-N 1 1 453.969 3.315 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccccc4nc3N3CCOCC3)CC[C@@H]21 ZINC001164834221 720539874 /nfs/dbraw/zinc/53/98/74/720539874.db2.gz CVOGTLIXVXYUOX-DPLHUUCSSA-N 1 1 461.614 3.041 20 0 JGADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001164736354 720577180 /nfs/dbraw/zinc/57/71/80/720577180.db2.gz KAHYVTLFVUKOHS-UHFFFAOYSA-N 1 1 496.637 3.136 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835973 720578370 /nfs/dbraw/zinc/57/83/70/720578370.db2.gz DGGXEPMMBIDHIL-WOIUINJBSA-N 1 1 482.629 3.427 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164841602 720612342 /nfs/dbraw/zinc/61/23/42/720612342.db2.gz TYJHAUOMNQTPTA-UNWVZKJWSA-N 1 1 474.675 3.123 20 0 JGADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C(=O)OCC ZINC001164839182 720649243 /nfs/dbraw/zinc/64/92/43/720649243.db2.gz JCVYNYQNQVRDIV-SFHLNBCPSA-N 1 1 469.586 3.009 20 0 JGADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C(=O)OCC ZINC001164839183 720650050 /nfs/dbraw/zinc/65/00/50/720650050.db2.gz JCVYNYQNQVRDIV-SVFBPWRDSA-N 1 1 469.586 3.009 20 0 JGADMO COC(=O)C1CCN(c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)CC1 ZINC001164845272 720699949 /nfs/dbraw/zinc/69/99/49/720699949.db2.gz XOKBNRBEBRIGKC-HSZRJFAPSA-N 1 1 479.625 3.126 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164840920 720715009 /nfs/dbraw/zinc/71/50/09/720715009.db2.gz SPIICBKYDYWDGO-JOCHJYFZSA-N 1 1 477.609 3.172 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745439 720792469 /nfs/dbraw/zinc/79/24/69/720792469.db2.gz KJVBXBFWEOXTCI-ROUUACIJSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745439 720792478 /nfs/dbraw/zinc/79/24/78/720792478.db2.gz KJVBXBFWEOXTCI-ROUUACIJSA-N 1 1 458.900 3.474 20 0 JGADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164751959 720801872 /nfs/dbraw/zinc/80/18/72/720801872.db2.gz YHUMNXWYHVSPEH-RBBKRZOGSA-N 1 1 454.534 3.341 20 0 JGADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744820 720811982 /nfs/dbraw/zinc/81/19/82/720811982.db2.gz IRRYKKUAFKJGRS-RBSFLKMASA-N 1 1 458.344 3.299 20 0 JGADMO O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752776 720813734 /nfs/dbraw/zinc/81/37/34/720813734.db2.gz ZVEPHOOPJSPWET-JCTONOIOSA-N 1 1 463.630 3.115 20 0 JGADMO Clc1cc(-c2ccncc2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164743796 720815865 /nfs/dbraw/zinc/81/58/65/720815865.db2.gz SKBBLSWFJPDGTB-SFHLNBCPSA-N 1 1 450.978 3.163 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745972 720816642 /nfs/dbraw/zinc/81/66/42/720816642.db2.gz XPOQXOWYJJGBAG-GUDVDZBRSA-N 1 1 493.006 3.246 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1)N1CCCCC1 ZINC001164742173 720817312 /nfs/dbraw/zinc/81/73/12/720817312.db2.gz QBFVOFJEYFNMCY-BHIFYINESA-N 1 1 484.048 3.332 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cnc1Cl ZINC001164739194 720821724 /nfs/dbraw/zinc/82/17/24/720821724.db2.gz HQSWYKNUCXAINZ-HHXXYDBFSA-N 1 1 480.947 3.037 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](C(=O)N4CCCO4)CC[C@@H]32)n1 ZINC001164847048 720821881 /nfs/dbraw/zinc/82/18/81/720821881.db2.gz HVRBJOFADCAHQP-GBESFXJTSA-N 1 1 473.643 3.440 20 0 JGADMO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164737344 720824010 /nfs/dbraw/zinc/82/40/10/720824010.db2.gz AENBCULISIKDRV-CSODHUTKSA-N 1 1 453.978 3.263 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745618 720826086 /nfs/dbraw/zinc/82/60/86/720826086.db2.gz XIBFXZFMGJPNQD-BBTUJRGHSA-N 1 1 496.015 3.431 20 0 JGADMO FC(F)(COc1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742158 720826509 /nfs/dbraw/zinc/82/65/09/720826509.db2.gz QAQMZFPZMFDXIW-YQVWRLOYSA-N 1 1 452.937 3.173 20 0 JGADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164745040 720826868 /nfs/dbraw/zinc/82/68/68/720826868.db2.gz VYVNWVSSNBXTEN-LZLYRXPVSA-N 1 1 452.937 3.259 20 0 JGADMO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749343 720832940 /nfs/dbraw/zinc/83/29/40/720832940.db2.gz VPUUAUPPNLQBBJ-VDKIKQQVSA-N 1 1 468.609 3.451 20 0 JGADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739982 720833604 /nfs/dbraw/zinc/83/36/04/720833604.db2.gz BHOPMMYODYDFCH-HSALFYBXSA-N 1 1 472.037 3.234 20 0 JGADMO FC(F)(COc1cccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751798 720836162 /nfs/dbraw/zinc/83/61/62/720836162.db2.gz YRDFGFIISSQLMA-RCCFBDPRSA-N 1 1 452.937 3.173 20 0 JGADMO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164747364 720839950 /nfs/dbraw/zinc/83/99/50/720839950.db2.gz QJAZIVFNGINXPF-MIZPHKNDSA-N 1 1 461.570 3.248 20 0 JGADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751003 720839965 /nfs/dbraw/zinc/83/99/65/720839965.db2.gz XPWGPKUQDYBZBI-KZNAEPCWSA-N 1 1 455.998 3.032 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OCc5ccccc5)c(OC)cc43)CC[C@H]2C1 ZINC001164857830 720841055 /nfs/dbraw/zinc/84/10/55/720841055.db2.gz YSMSZFOPHJYQCE-HFZDXXHNSA-N 1 1 478.593 3.391 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164748937 720844521 /nfs/dbraw/zinc/84/45/21/720844521.db2.gz VDJAYMDJSFQSAW-WOIUINJBSA-N 1 1 496.015 3.431 20 0 JGADMO c1ncn(C[C@@H]2C[C@H]3CN(c4nc5ccccc5nc4N4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741334 720845089 /nfs/dbraw/zinc/84/50/89/720845089.db2.gz FEBDJIFOFDYZHO-AWRGLXIESA-N 1 1 458.614 3.201 20 0 JGADMO FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743560 720848588 /nfs/dbraw/zinc/84/85/88/720848588.db2.gz JDWCOWVFUMMUKP-TXPKVOOTSA-N 1 1 463.964 3.135 20 0 JGADMO O=C(NC1CCCC1)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164743045 720848831 /nfs/dbraw/zinc/84/88/31/720848831.db2.gz IGXBCVNMSFYFDE-KJXAQDMKSA-N 1 1 484.048 3.378 20 0 JGADMO O=C(OCc1ccccc1)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164745178 720850550 /nfs/dbraw/zinc/85/05/50/720850550.db2.gz MJXFFQDXQCLDBA-CCDWMCETSA-N 1 1 472.593 3.410 20 0 JGADMO O=C(OCc1ccccc1)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164745179 720850912 /nfs/dbraw/zinc/85/09/12/720850912.db2.gz MJXFFQDXQCLDBA-DSNGMDLFSA-N 1 1 472.593 3.410 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164744865 720852822 /nfs/dbraw/zinc/85/28/22/720852822.db2.gz COWRNYMGCDZERS-YOSAUDMPSA-N 1 1 475.597 3.132 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164744857 720852840 /nfs/dbraw/zinc/85/28/40/720852840.db2.gz COWRNYMGCDZERS-JXALWOEJSA-N 1 1 475.597 3.132 20 0 JGADMO COC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc2c1OC ZINC001164746182 720853646 /nfs/dbraw/zinc/85/36/46/720853646.db2.gz GHUIUNKPTSIFTE-CNNODRBYSA-N 1 1 476.581 3.001 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753546 720861969 /nfs/dbraw/zinc/86/19/69/720861969.db2.gz XSEMULMPGMCHED-ARFHVFGLSA-N 1 1 495.003 3.342 20 0 JGADMO Cc1nc([C@@H]2COCCN2c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)cs1 ZINC001164753045 720864124 /nfs/dbraw/zinc/86/41/24/720864124.db2.gz VNGFRVMRPKKANV-UWJYYQICSA-N 1 1 473.643 3.223 20 0 JGADMO Cc1nc([C@@H]2COCCN2c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)cs1 ZINC001164753045 720864126 /nfs/dbraw/zinc/86/41/26/720864126.db2.gz VNGFRVMRPKKANV-UWJYYQICSA-N 1 1 473.643 3.223 20 0 JGADMO CCOC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753822 720870441 /nfs/dbraw/zinc/87/04/41/720870441.db2.gz QCDAUFJPNOTDKG-BVAGGSTKSA-N 1 1 450.583 3.408 20 0 JGADMO COC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755298 720871200 /nfs/dbraw/zinc/87/12/00/720871200.db2.gz VWNXOEBPVKCODP-CYFREDJKSA-N 1 1 471.989 3.067 20 0 JGADMO COC(=O)c1cc(F)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751561 720872386 /nfs/dbraw/zinc/87/23/86/720872386.db2.gz LAIHRIYNWWJCIF-NBGIEHNGSA-N 1 1 454.546 3.157 20 0 JGADMO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C(N)=O ZINC001164755209 720872486 /nfs/dbraw/zinc/87/24/86/720872486.db2.gz UZHXZMDEMOGMKA-NBGIEHNGSA-N 1 1 470.017 3.292 20 0 JGADMO CCOC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752342 720872573 /nfs/dbraw/zinc/87/25/73/720872573.db2.gz MNEKHGFUHODJSO-GJZUVCINSA-N 1 1 450.583 3.408 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164853367 720875534 /nfs/dbraw/zinc/87/55/34/720875534.db2.gz CCHFHNVCCCAWNM-FPOVZHCZSA-N 1 1 485.698 3.339 20 0 JGADMO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747222 720881603 /nfs/dbraw/zinc/88/16/03/720881603.db2.gz APNBROFQNSXGGX-ATIYNZHBSA-N 1 1 465.598 3.112 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164863065 720883315 /nfs/dbraw/zinc/88/33/15/720883315.db2.gz SMVAHCHKZPIDBI-PXNSSMCTSA-N 1 1 480.638 3.201 20 0 JGADMO Cn1c(=O)ccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164754430 720891071 /nfs/dbraw/zinc/89/10/71/720891071.db2.gz IUZXVWCTLPGKRR-YIXXDRMTSA-N 1 1 459.594 3.084 20 0 JGADMO O=c1cc2[nH]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)cc-2[nH]1 ZINC001164756558 720892492 /nfs/dbraw/zinc/89/24/92/720892492.db2.gz QGTSVSBWKOLIPG-UQBPGWFLSA-N 1 1 468.001 3.380 20 0 JGADMO CN(C)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756591 720892717 /nfs/dbraw/zinc/89/27/17/720892717.db2.gz QSMDHVMEUKLFDO-GBXCKJPGSA-N 1 1 457.022 3.346 20 0 JGADMO CCOC(=O)c1ncnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164756842 720893771 /nfs/dbraw/zinc/89/37/71/720893771.db2.gz RLPIIDGOPGKOBO-NVQXNPDNSA-N 1 1 465.598 3.112 20 0 JGADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756031 720894340 /nfs/dbraw/zinc/89/43/40/720894340.db2.gz OFAVINSNFXRROZ-GAJHUEQPSA-N 1 1 491.423 3.032 20 0 JGADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756034 720894659 /nfs/dbraw/zinc/89/46/59/720894659.db2.gz OFAVINSNFXRROZ-HXOBKFHXSA-N 1 1 491.423 3.032 20 0 JGADMO COC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C ZINC001164753941 720895081 /nfs/dbraw/zinc/89/50/81/720895081.db2.gz HVSMXWPTVXKWKR-NVQXNPDNSA-N 1 1 450.583 3.327 20 0 JGADMO Clc1[n-][nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ncnc1-2 ZINC001164755117 720896381 /nfs/dbraw/zinc/89/63/81/720896381.db2.gz KVUZJRGCLSJSJO-WZONZLPQSA-N 1 1 453.978 3.156 20 0 JGADMO O=C1NCc2c1cc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758504 720896595 /nfs/dbraw/zinc/89/65/95/720896595.db2.gz YTALFHNOYVJVRD-DFBJGRDBSA-N 1 1 468.001 3.129 20 0 JGADMO CN1CCOc2c(Cl)nnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164753281 720905270 /nfs/dbraw/zinc/90/52/70/720905270.db2.gz RKNQJMGPUKOCRR-CJFMBICVSA-N 1 1 485.032 3.109 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747371 720905402 /nfs/dbraw/zinc/90/54/02/720905402.db2.gz CYBRVBFOTMMOBP-CPJSRVTESA-N 1 1 486.016 3.457 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3CO[C@H](CNC(=O)c4ccno4)[C@@H]3C2)n1 ZINC001164853974 720911465 /nfs/dbraw/zinc/91/14/65/720911465.db2.gz DGLLRUVFRMDISQ-QWFCFKBJSA-N 1 1 498.653 3.409 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4CO[C@@H](CNC(=O)c5ccno5)[C@H]4C3)c2c1C ZINC001164855032 720911795 /nfs/dbraw/zinc/91/17/95/720911795.db2.gz HJXKQXZCAABQMI-HBFSDRIKSA-N 1 1 496.637 3.163 20 0 JGADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCSCC4)ncn2)C3)c1 ZINC001164753664 720925519 /nfs/dbraw/zinc/92/55/19/720925519.db2.gz RWWKBTAVPIVQMN-ZEQKJWHPSA-N 1 1 480.682 3.180 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)[C@@H]2C ZINC001164856188 720937627 /nfs/dbraw/zinc/93/76/27/720937627.db2.gz CGJRMBLAASXEGB-OAHLLOKOSA-N 1 1 469.968 3.129 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3CO[C@@H](CNC(=O)N(C)C)[C@H]3C2)n1 ZINC001164756096 720996675 /nfs/dbraw/zinc/99/66/75/720996675.db2.gz DYMRPNGHXTUJQU-QYZOEREBSA-N 1 1 474.675 3.262 20 0 JGADMO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]12 ZINC001164756199 720997863 /nfs/dbraw/zinc/99/78/63/720997863.db2.gz GHTMTJDJWSBSMT-HOJAQTOUSA-N 1 1 498.697 3.278 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4CO[C@@H](CNC(=O)N(C)C)[C@@H]4C3)c2c1C ZINC001164758555 720997890 /nfs/dbraw/zinc/99/78/90/720997890.db2.gz WDNZMVUHFMHXJP-QRVBRYPASA-N 1 1 472.659 3.016 20 0 JGADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001164761287 721014672 /nfs/dbraw/zinc/01/46/72/721014672.db2.gz SKWPDJUKPOLDQQ-CEMLEFRQSA-N 1 1 470.017 3.368 20 0 JGADMO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1=O ZINC001164862939 721027405 /nfs/dbraw/zinc/02/74/05/721027405.db2.gz SAIPWFZWCBLWOK-DSITVLBTSA-N 1 1 489.664 3.382 20 0 JGADMO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]2C1=O ZINC001164862939 721027411 /nfs/dbraw/zinc/02/74/11/721027411.db2.gz SAIPWFZWCBLWOK-DSITVLBTSA-N 1 1 489.664 3.382 20 0 JGADMO Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC001164762815 721038289 /nfs/dbraw/zinc/03/82/89/721038289.db2.gz ISCOAJLRIDBONL-WOJBJXKFSA-N 1 1 491.665 3.393 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164866086 721043875 /nfs/dbraw/zinc/04/38/75/721043875.db2.gz CNFLHMSIYKROFA-QZTJIDSGSA-N 1 1 453.568 3.051 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)CC5)C[C@H]3C2)cn1 ZINC001164761090 721089099 /nfs/dbraw/zinc/08/90/99/721089099.db2.gz AXGYMSNWCGBRRZ-FCHUYYIVSA-N 1 1 478.044 3.380 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164760978 721093021 /nfs/dbraw/zinc/09/30/21/721093021.db2.gz AGQXEHAIVLOZOJ-UNMCSNQZSA-N 1 1 465.001 3.357 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2cc1OC ZINC001164865544 721093067 /nfs/dbraw/zinc/09/30/67/721093067.db2.gz MNZLCPMFBJFKGE-IRXDYDNUSA-N 1 1 455.946 3.175 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2cc1OC ZINC001164865542 721093575 /nfs/dbraw/zinc/09/35/75/721093575.db2.gz MNZLCPMFBJFKGE-DLBZAZTESA-N 1 1 455.946 3.175 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164773645 721101669 /nfs/dbraw/zinc/10/16/69/721101669.db2.gz XWZBEMDHUVKGJT-VQTJNVASSA-N 1 1 462.989 3.220 20 0 JGADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865375 721109797 /nfs/dbraw/zinc/10/97/97/721109797.db2.gz KNAGHHRDQQYHBM-GGAORHGYSA-N 1 1 493.633 3.213 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164877575 721134415 /nfs/dbraw/zinc/13/44/15/721134415.db2.gz OQZOBKFOVHFARH-UPVQGACJSA-N 1 1 485.588 3.121 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164880403 721140747 /nfs/dbraw/zinc/14/07/47/721140747.db2.gz WDUWVHGLXBHQFA-RBUKOAKNSA-N 1 1 467.595 3.360 20 0 JGADMO O=C(NC1CCCC1)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164876993 721152546 /nfs/dbraw/zinc/15/25/46/721152546.db2.gz NMFVIKIDGAZKGI-LEWJYISDSA-N 1 1 455.990 3.282 20 0 JGADMO O=C(c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164870970 721152585 /nfs/dbraw/zinc/15/25/85/721152585.db2.gz CTRLJVAJGAQINZ-SFTDATJTSA-N 1 1 455.990 3.236 20 0 JGADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164879437 721171075 /nfs/dbraw/zinc/17/10/75/721171075.db2.gz SGBYAHRCAGYXGZ-UXHICEINSA-N 1 1 477.565 3.044 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164773384 721188293 /nfs/dbraw/zinc/18/82/93/721188293.db2.gz WWIYBDLOCQXSBD-ROUUACIJSA-N 1 1 454.962 3.152 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869705 721189156 /nfs/dbraw/zinc/18/91/56/721189156.db2.gz RRIPAIXXUSLPNN-ZWKOTPCHSA-N 1 1 467.904 3.247 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C[C@@H]3C2)cn1 ZINC001164765825 721213184 /nfs/dbraw/zinc/21/31/84/721213184.db2.gz ILZPVFQTXJVSKJ-SJORKVTESA-N 1 1 459.932 3.429 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5OCCN(c6cnccn6)[C@H]5C3)n2)CCC4)CC1 ZINC001164763073 721264279 /nfs/dbraw/zinc/26/42/79/721264279.db2.gz BOSAKPMHUQSRKR-PMACEKPBSA-N 1 1 491.665 3.296 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]32)cn1 ZINC001164766756 721264680 /nfs/dbraw/zinc/26/46/80/721264680.db2.gz OMRIHTKENCEGRK-RTBURBONSA-N 1 1 477.638 3.050 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4OCCN(c5cnccn5)[C@H]4C3)c2c1C ZINC001164768221 721264745 /nfs/dbraw/zinc/26/47/45/721264745.db2.gz TWLZDFASELCMHA-OALUTQOASA-N 1 1 465.627 3.178 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)C1 ZINC001164870415 721269838 /nfs/dbraw/zinc/26/98/38/721269838.db2.gz YBRKDZIDEJOTHN-UHFFFAOYSA-N 1 1 459.594 3.304 20 0 JGADMO c1ncn2c1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C[C@@H](COc1cccnc1)C2 ZINC001164767109 721273143 /nfs/dbraw/zinc/27/31/43/721273143.db2.gz GKMGUXSOPADBLY-JOCHJYFZSA-N 1 1 467.577 3.342 20 0 JGADMO c1ncn2c1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C[C@@H](COc1cccnc1)C2 ZINC001164767109 721273148 /nfs/dbraw/zinc/27/31/48/721273148.db2.gz GKMGUXSOPADBLY-JOCHJYFZSA-N 1 1 467.577 3.342 20 0 JGADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872291 721283593 /nfs/dbraw/zinc/28/35/93/721283593.db2.gz BQAGNHBKIWGJAT-UHFFFAOYSA-N 1 1 489.016 3.072 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC2)C1 ZINC001164877551 721289374 /nfs/dbraw/zinc/28/93/74/721289374.db2.gz NQZTYOFCAJZSAK-UHFFFAOYSA-N 1 1 492.668 3.141 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777991 721332824 /nfs/dbraw/zinc/33/28/24/721332824.db2.gz RVIXURZCOVBURA-JOCHJYFZSA-N 1 1 463.966 3.031 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777991 721332827 /nfs/dbraw/zinc/33/28/27/721332827.db2.gz RVIXURZCOVBURA-JOCHJYFZSA-N 1 1 463.966 3.031 20 0 JGADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777326 721337736 /nfs/dbraw/zinc/33/77/36/721337736.db2.gz LZGZQJKULMVFOZ-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1ccc2cnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164776678 721337892 /nfs/dbraw/zinc/33/78/92/721337892.db2.gz HSHRNHPUKSHIJV-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1ccc2cnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164776678 721337897 /nfs/dbraw/zinc/33/78/97/721337897.db2.gz HSHRNHPUKSHIJV-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc5c(cc43)OCCO5)C2)C1 ZINC001164779057 721339646 /nfs/dbraw/zinc/33/96/46/721339646.db2.gz PUJCDNGQFDWWPR-VWLOTQADSA-N 1 1 465.554 3.125 20 0 JGADMO COC(=O)c1c[nH]c2nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ccc12 ZINC001164779514 721344187 /nfs/dbraw/zinc/34/41/87/721344187.db2.gz UNLNVCKYXXCXIN-XMMPIXPASA-N 1 1 453.543 3.073 20 0 JGADMO COC(=O)c1cccc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncc21 ZINC001164780100 721344400 /nfs/dbraw/zinc/34/44/00/721344400.db2.gz ZQWVTDMKNFMLJG-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1cccc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncc21 ZINC001164780100 721344401 /nfs/dbraw/zinc/34/44/01/721344401.db2.gz ZQWVTDMKNFMLJG-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4OCC[C@]4(C(=O)NCC4CC4)C3)c2c1C ZINC001164884195 721344465 /nfs/dbraw/zinc/34/44/65/721344465.db2.gz NDTUTBMCSPVJIB-CLOONOSVSA-N 1 1 469.655 3.416 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164881501 721357047 /nfs/dbraw/zinc/35/70/47/721357047.db2.gz CYSNUTFYMDOSCR-YHYVQYDKSA-N 1 1 497.665 3.326 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)NC(C)(C)C)ccn3)C2)C1 ZINC001164780245 721360949 /nfs/dbraw/zinc/36/09/49/721360949.db2.gz DREIXRPCVQAJHI-RUZDIDTESA-N 1 1 455.603 3.334 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)NC(C)(C)C)ccn3)C2)C1 ZINC001164780245 721360954 /nfs/dbraw/zinc/36/09/54/721360954.db2.gz DREIXRPCVQAJHI-RUZDIDTESA-N 1 1 455.603 3.334 20 0 JGADMO COC(=O)/C=C/c1cc(C)cnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780074 721361710 /nfs/dbraw/zinc/36/17/10/721361710.db2.gz CWTXZCSHIGQYDX-NPJCXYKHSA-N 1 1 454.571 3.300 20 0 JGADMO COC(=O)/C=C\c1cc(C)cnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780073 721361777 /nfs/dbraw/zinc/36/17/77/721361777.db2.gz CWTXZCSHIGQYDX-KBDOHKNDSA-N 1 1 454.571 3.300 20 0 JGADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780254 721362075 /nfs/dbraw/zinc/36/20/75/721362075.db2.gz DUCIKYLJMSOLNX-PYXUCFPHSA-N 1 1 479.581 3.473 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)N(C)C)cc3Cl)C2)C1 ZINC001164782242 721367420 /nfs/dbraw/zinc/36/74/20/721367420.db2.gz LKTQFVZNTBTECZ-QHCPKHFHSA-N 1 1 461.994 3.161 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)N(C)C)cc3Cl)C2)C1 ZINC001164782242 721367424 /nfs/dbraw/zinc/36/74/24/721367424.db2.gz LKTQFVZNTBTECZ-QHCPKHFHSA-N 1 1 461.994 3.161 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C2)C1 ZINC001164788547 721373896 /nfs/dbraw/zinc/37/38/96/721373896.db2.gz ZSOHNEICTNYSLO-NRFANRHFSA-N 1 1 484.979 3.465 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C2)C1 ZINC001164788547 721373900 /nfs/dbraw/zinc/37/39/00/721373900.db2.gz ZSOHNEICTNYSLO-NRFANRHFSA-N 1 1 484.979 3.465 20 0 JGADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889343 721385859 /nfs/dbraw/zinc/38/58/59/721385859.db2.gz LSFAXKPFGXRDEC-HNAYVOBHSA-N 1 1 462.010 3.162 20 0 JGADMO COCc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccccc2)n1 ZINC001164890923 721386405 /nfs/dbraw/zinc/38/64/05/721386405.db2.gz PICOSRBYXZXMQP-OZXSUGGESA-N 1 1 451.615 3.055 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C(=O)N5CCCCC5)cc(Cl)n4)C3)O2)CC1 ZINC001164889802 721393477 /nfs/dbraw/zinc/39/34/77/721393477.db2.gz MIRRTUSPGGNUQL-SQJMNOBHSA-N 1 1 476.065 3.127 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1Cl ZINC001164893595 721396420 /nfs/dbraw/zinc/39/64/20/721396420.db2.gz VURQBIZEOLIQJY-KSFYIVLOSA-N 1 1 471.429 3.331 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C3)O2)CC1 ZINC001164884451 721397795 /nfs/dbraw/zinc/39/77/95/721397795.db2.gz BBUCMWKOJGQGNT-AJTFRIOCSA-N 1 1 497.087 3.411 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2cc1OC ZINC001164887678 721413561 /nfs/dbraw/zinc/41/35/61/721413561.db2.gz MEAFGVHVJPXWGU-BXKMTCNYSA-N 1 1 476.021 3.066 20 0 JGADMO O=C(NCCSCc1ccco1)c1cccnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164783594 721417292 /nfs/dbraw/zinc/41/72/92/721417292.db2.gz JAMMLUCPIZKFMS-ROUUACIJSA-N 1 1 469.636 3.363 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Oc5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164883730 721421358 /nfs/dbraw/zinc/42/13/58/721421358.db2.gz BXTBBBKBQBQXRN-AUSIDOKSSA-N 1 1 476.984 3.222 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164887252 721422549 /nfs/dbraw/zinc/42/25/49/721422549.db2.gz LQGZKBLEDDSEAN-WMZHIEFXSA-N 1 1 476.984 3.222 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164780831 721426350 /nfs/dbraw/zinc/42/63/50/721426350.db2.gz AIKLKGIKYJAGIX-QZTJIDSGSA-N 1 1 470.668 3.165 20 0 JGADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1 ZINC001164790159 721431370 /nfs/dbraw/zinc/43/13/70/721431370.db2.gz XDMODHHKCQXAGH-GJZGRUSLSA-N 1 1 477.562 3.185 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164899260 721433157 /nfs/dbraw/zinc/43/31/57/721433157.db2.gz YCYOPHHXWCCVTG-KBMIEXCESA-N 1 1 487.670 3.250 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C(=O)OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164889565 721439046 /nfs/dbraw/zinc/43/90/46/721439046.db2.gz BSWAOJKKCFFVDM-RPLLCQBOSA-N 1 1 464.610 3.204 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3ccc(C(=O)OC)cc3n1)CC2 ZINC001164789433 721452646 /nfs/dbraw/zinc/45/26/46/721452646.db2.gz WBPNVJFDSDROPG-QFIPXVFZSA-N 1 1 468.598 3.150 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164788668 721453116 /nfs/dbraw/zinc/45/31/16/721453116.db2.gz SFNOFWDZYZWWLN-SFHVURJKSA-N 1 1 488.023 3.475 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(cccc3C(=O)OC)n1)CC2 ZINC001164783344 721455894 /nfs/dbraw/zinc/45/58/94/721455894.db2.gz BPNZTKQRXWDTET-HXUWFJFHSA-N 1 1 468.598 3.150 20 0 JGADMO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1 ZINC001164890951 721459029 /nfs/dbraw/zinc/45/90/29/721459029.db2.gz TVWRBDOWBBSLFH-ZCNNSNEGSA-N 1 1 481.666 3.428 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164787561 721461764 /nfs/dbraw/zinc/46/17/64/721461764.db2.gz RLKPECNEIXYEQL-FQEVSTJZSA-N 1 1 460.619 3.166 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164786669 721462279 /nfs/dbraw/zinc/46/22/79/721462279.db2.gz PDRXUFVZNXSYLL-KRWDZBQOSA-N 1 1 492.020 3.132 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)N3CCCC3)ccn1)CC2 ZINC001164786474 721463688 /nfs/dbraw/zinc/46/36/88/721463688.db2.gz OHWGAJFIKXPLIC-HSZRJFAPSA-N 1 1 456.631 3.052 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)CC2 ZINC001164790012 721464223 /nfs/dbraw/zinc/46/42/23/721464223.db2.gz YZNSQDJCQFJACB-FQEVSTJZSA-N 1 1 456.587 3.083 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164783911 721465171 /nfs/dbraw/zinc/46/51/71/721465171.db2.gz GHELHNUIXFDTQN-QGZVFWFLSA-N 1 1 486.991 3.113 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCC[C@H](C)C3)ncn1)CC2 ZINC001164789547 721469355 /nfs/dbraw/zinc/46/93/55/721469355.db2.gz NZMKEFKBYYPVSR-GMAHTHKFSA-N 1 1 457.663 3.447 20 0 JGADMO O=C(C[C@@H]1COC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21)N1CCC(F)CC1 ZINC001164892444 721477971 /nfs/dbraw/zinc/47/79/71/721477971.db2.gz GCMQUZJYBKRWFT-SBHAEUEKSA-N 1 1 465.013 3.380 20 0 JGADMO O=C([C@@H]1CCO[C@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]12)N1CCCO1 ZINC001164792699 721480329 /nfs/dbraw/zinc/48/03/29/721480329.db2.gz OSPNOYBQJUNBIG-CUYJMHBOSA-N 1 1 462.594 3.035 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@]4(CC(=O)NCC4CC4)C3)c2c1C ZINC001164892635 721483408 /nfs/dbraw/zinc/48/34/08/721483408.db2.gz AXHDYZMYFGKDFD-CLOONOSVSA-N 1 1 469.655 3.273 20 0 JGADMO c1ccc(CN2CCc3nc(N(C[C@@H]4OC[C@@H]5CC[NH2+]C[C@@H]54)c4ncccn4)ccc3C2)cc1 ZINC001164793275 721484056 /nfs/dbraw/zinc/48/40/56/721484056.db2.gz UBTWRSPIHGKRFD-LSQMVHIFSA-N 1 1 456.594 3.193 20 0 JGADMO O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164901466 721489218 /nfs/dbraw/zinc/48/92/18/721489218.db2.gz VDAHCNRYILPGOR-NRFANRHFSA-N 1 1 461.610 3.079 20 0 JGADMO O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164901466 721489219 /nfs/dbraw/zinc/48/92/19/721489219.db2.gz VDAHCNRYILPGOR-NRFANRHFSA-N 1 1 461.610 3.079 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164898586 721519127 /nfs/dbraw/zinc/51/91/27/721519127.db2.gz JERNZMWVHGXFFK-PKOBYXMFSA-N 1 1 455.559 3.009 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164794869 721528420 /nfs/dbraw/zinc/52/84/20/721528420.db2.gz IQPTZMSAOVIZPU-SQNIBIBYSA-N 1 1 481.931 3.115 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164794869 721528422 /nfs/dbraw/zinc/52/84/22/721528422.db2.gz IQPTZMSAOVIZPU-SQNIBIBYSA-N 1 1 481.931 3.115 20 0 JGADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805513 721536808 /nfs/dbraw/zinc/53/68/08/721536808.db2.gz LZKDSNYYTHCITQ-JTDSTZFVSA-N 1 1 452.937 3.004 20 0 JGADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805513 721536811 /nfs/dbraw/zinc/53/68/11/721536811.db2.gz LZKDSNYYTHCITQ-JTDSTZFVSA-N 1 1 452.937 3.004 20 0 JGADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC[N@@H+]3C2)c1 ZINC001164908173 721540023 /nfs/dbraw/zinc/54/00/23/721540023.db2.gz PITCMHITCCKRLA-WBVHZDCISA-N 1 1 468.360 3.101 20 0 JGADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC[N@H+]3C2)c1 ZINC001164908173 721540029 /nfs/dbraw/zinc/54/00/29/721540029.db2.gz PITCMHITCCKRLA-WBVHZDCISA-N 1 1 468.360 3.101 20 0 JGADMO Cc1cc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164904113 721542688 /nfs/dbraw/zinc/54/26/88/721542688.db2.gz FGCZQZVYYCWOLU-AZUAARDMSA-N 1 1 469.586 3.317 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cnc1Cl ZINC001164806577 721544651 /nfs/dbraw/zinc/54/46/51/721544651.db2.gz OTAAZEKJULKUIW-CEXWTWQISA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cnc1Cl ZINC001164806577 721544657 /nfs/dbraw/zinc/54/46/57/721544657.db2.gz OTAAZEKJULKUIW-CEXWTWQISA-N 1 1 466.916 3.330 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912470 721545929 /nfs/dbraw/zinc/54/59/29/721545929.db2.gz ZWWZDEQVOKBNSP-UNMCSNQZSA-N 1 1 463.557 3.497 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808366 721547483 /nfs/dbraw/zinc/54/74/83/721547483.db2.gz RRICFYAUBFKQSX-CMKODMSKSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808366 721547487 /nfs/dbraw/zinc/54/74/87/721547487.db2.gz RRICFYAUBFKQSX-CMKODMSKSA-N 1 1 466.916 3.330 20 0 JGADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905796 721548351 /nfs/dbraw/zinc/54/83/51/721548351.db2.gz IHRWJENKHQSSNX-WIYYLYMNSA-N 1 1 484.553 3.153 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164805255 721550900 /nfs/dbraw/zinc/55/09/00/721550900.db2.gz LJZHOJZERBHIEJ-GBESFXJTSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164805255 721550902 /nfs/dbraw/zinc/55/09/02/721550902.db2.gz LJZHOJZERBHIEJ-GBESFXJTSA-N 1 1 466.916 3.330 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164805623 721553701 /nfs/dbraw/zinc/55/37/01/721553701.db2.gz OAQJPJZXRSVIRW-RYRKJORJSA-N 1 1 478.018 3.292 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164805623 721553702 /nfs/dbraw/zinc/55/37/02/721553702.db2.gz OAQJPJZXRSVIRW-RYRKJORJSA-N 1 1 478.018 3.292 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21)OCC ZINC001164800226 721555219 /nfs/dbraw/zinc/55/52/19/721555219.db2.gz DKCXYUCYFMXZQY-JAXLGGSGSA-N 1 1 476.021 3.335 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21)OCC ZINC001164800226 721555222 /nfs/dbraw/zinc/55/52/22/721555222.db2.gz DKCXYUCYFMXZQY-JAXLGGSGSA-N 1 1 476.021 3.335 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21)OCC ZINC001164800231 721555263 /nfs/dbraw/zinc/55/52/63/721555263.db2.gz DKCXYUCYFMXZQY-ONTIZHBOSA-N 1 1 476.021 3.335 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21)OCC ZINC001164800231 721555267 /nfs/dbraw/zinc/55/52/67/721555267.db2.gz DKCXYUCYFMXZQY-ONTIZHBOSA-N 1 1 476.021 3.335 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907168 721555661 /nfs/dbraw/zinc/55/56/61/721555661.db2.gz MJKNWPLWAMZQPD-CTNGQTDRSA-N 1 1 462.591 3.030 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC[N@H+]3C2)c1 ZINC001164911900 721560117 /nfs/dbraw/zinc/56/01/17/721560117.db2.gz ZZGVWGOIICYNHC-ILBGXUMGSA-N 1 1 474.584 3.284 20 0 JGADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC[N@H+]3C2)c1 ZINC001164911903 721560378 /nfs/dbraw/zinc/56/03/78/721560378.db2.gz ZZGVWGOIICYNHC-ZCYQVOJMSA-N 1 1 474.584 3.284 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807258 721561074 /nfs/dbraw/zinc/56/10/74/721561074.db2.gz SAMIQAYITQMSRO-RLFYNMQTSA-N 1 1 466.369 3.223 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807258 721561075 /nfs/dbraw/zinc/56/10/75/721561075.db2.gz SAMIQAYITQMSRO-RLFYNMQTSA-N 1 1 466.369 3.223 20 0 JGADMO Cc1cc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc(N3CCOCC3)c2s1 ZINC001164804013 721563267 /nfs/dbraw/zinc/56/32/67/721563267.db2.gz KRCKQAGJKVKYJL-FDFHNCONSA-N 1 1 480.638 3.100 20 0 JGADMO Cc1cc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc(N3CCOCC3)c2s1 ZINC001164804013 721563268 /nfs/dbraw/zinc/56/32/68/721563268.db2.gz KRCKQAGJKVKYJL-FDFHNCONSA-N 1 1 480.638 3.100 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2s1 ZINC001164798535 721567713 /nfs/dbraw/zinc/56/77/13/721567713.db2.gz BEXIWMRWGZBPKB-WSTZPKSXSA-N 1 1 453.568 3.131 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2s1 ZINC001164798535 721567717 /nfs/dbraw/zinc/56/77/17/721567717.db2.gz BEXIWMRWGZBPKB-WSTZPKSXSA-N 1 1 453.568 3.131 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164803402 721578582 /nfs/dbraw/zinc/57/85/82/721578582.db2.gz HZAQTQCLKVDOGK-BXTSTYNKSA-N 1 1 485.636 3.066 20 0 JGADMO CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001164905765 721579027 /nfs/dbraw/zinc/57/90/27/721579027.db2.gz WJTXCAVHXGYZEU-DEOSSOPVSA-N 1 1 469.630 3.318 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@](F)(COc2cncc(Cl)n2)C(F)F)[C@@H]2CCCO[C@H]12 ZINC001164811843 721582549 /nfs/dbraw/zinc/58/25/49/721582549.db2.gz YMDLWGVMJLVXQX-DCTVWTRXSA-N 1 1 471.911 3.199 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@](F)(COc2cncc(Cl)n2)C(F)F)[C@@H]2CCCO[C@H]12 ZINC001164811843 721582552 /nfs/dbraw/zinc/58/25/52/721582552.db2.gz YMDLWGVMJLVXQX-DCTVWTRXSA-N 1 1 471.911 3.199 20 0 JGADMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164801793 721586704 /nfs/dbraw/zinc/58/67/04/721586704.db2.gz FWVSUURYWIRZAJ-AOHZBQACSA-N 1 1 458.566 3.301 20 0 JGADMO CN(C)c1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(Cl)n1 ZINC001164801859 721588624 /nfs/dbraw/zinc/58/86/24/721588624.db2.gz FZCVSEAPTNPUGV-JTDSTZFVSA-N 1 1 452.937 3.004 20 0 JGADMO CN(C)c1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(Cl)n1 ZINC001164801859 721588625 /nfs/dbraw/zinc/58/86/25/721588625.db2.gz FZCVSEAPTNPUGV-JTDSTZFVSA-N 1 1 452.937 3.004 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)n1 ZINC001164803555 721596723 /nfs/dbraw/zinc/59/67/23/721596723.db2.gz WUHRNXCZDDMMBR-QHAWAJNXSA-N 1 1 493.633 3.015 20 0 JGADMO O=C1NCc2c1c(N1CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C1)nc(Cl)c2F ZINC001164907277 721709840 /nfs/dbraw/zinc/70/98/40/721709840.db2.gz QIIGWGUZEBLCAA-HXUWFJFHSA-N 1 1 451.880 3.250 20 0 JGADMO CCc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(N2CCOCC2)n1 ZINC001164905574 721714148 /nfs/dbraw/zinc/71/41/48/721714148.db2.gz HROQZKPRYCNISZ-HSZRJFAPSA-N 1 1 458.557 3.008 20 0 JGADMO CCc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(N2CCOCC2)n1 ZINC001164905574 721714155 /nfs/dbraw/zinc/71/41/55/721714155.db2.gz HROQZKPRYCNISZ-HSZRJFAPSA-N 1 1 458.557 3.008 20 0 JGADMO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(N2CCCCCC2)n1 ZINC001164905552 721723415 /nfs/dbraw/zinc/72/34/15/721723415.db2.gz HKRAMHRHBZCNRJ-HSZRJFAPSA-N 1 1 473.572 3.393 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904911 721724238 /nfs/dbraw/zinc/72/42/38/721724238.db2.gz FMANUHSYFJEMFF-JOCHJYFZSA-N 1 1 479.597 3.245 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2C1 ZINC001164912963 721725500 /nfs/dbraw/zinc/72/55/00/721725500.db2.gz RVMAXTJFICRXCN-QHCPKHFHSA-N 1 1 472.540 3.124 20 0 JGADMO O=S(=O)(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCCCC1 ZINC001164913801 721729759 /nfs/dbraw/zinc/72/97/59/721729759.db2.gz XXCNRHIEOGNBIO-HSZRJFAPSA-N 1 1 491.608 3.389 20 0 JGADMO O=C(NC1CCCC1)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913882 721730075 /nfs/dbraw/zinc/73/00/75/721730075.db2.gz ZGCVPJHNUTYMRJ-HSZRJFAPSA-N 1 1 456.541 3.282 20 0 JGADMO CCNC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913870 721737976 /nfs/dbraw/zinc/73/79/76/721737976.db2.gz ZDHJNOMZNCTMNY-FQEVSTJZSA-N 1 1 450.921 3.012 20 0 JGADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2C1 ZINC001164913161 721738639 /nfs/dbraw/zinc/73/86/39/721738639.db2.gz UQKRCGPJRLXJSI-UUOWRZLLSA-N 1 1 471.552 3.277 20 0 JGADMO CCOC(=O)c1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1C(=O)OCC ZINC001164908420 721750088 /nfs/dbraw/zinc/75/00/88/721750088.db2.gz INAKTRIRXXFHJP-UHFFFAOYSA-N 1 1 479.537 3.013 20 0 JGADMO CCOC(=O)c1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1C(=O)OCC ZINC001164908420 721750096 /nfs/dbraw/zinc/75/00/96/721750096.db2.gz INAKTRIRXXFHJP-UHFFFAOYSA-N 1 1 479.537 3.013 20 0 JGADMO O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]12 ZINC001165012708 721753484 /nfs/dbraw/zinc/75/34/84/721753484.db2.gz GTHDTCFPTPPUGB-ZLNRFVROSA-N 1 1 484.044 3.316 20 0 JGADMO c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001165024696 721780327 /nfs/dbraw/zinc/78/03/27/721780327.db2.gz YRYBBVNZDSOKAB-GSDHBNRESA-N 1 1 474.609 3.075 20 0 JGADMO c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001165024696 721780330 /nfs/dbraw/zinc/78/03/30/721780330.db2.gz YRYBBVNZDSOKAB-GSDHBNRESA-N 1 1 474.609 3.075 20 0 JGADMO c1cc2c(nc(-c3ccccn3)nc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001164913694 721798584 /nfs/dbraw/zinc/79/85/84/721798584.db2.gz GDCULIVXWNBKGI-RUZDIDTESA-N 1 1 474.590 3.256 20 0 JGADMO c1cc2c(nc(-c3ccccn3)nc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)s1 ZINC001164913694 721798588 /nfs/dbraw/zinc/79/85/88/721798588.db2.gz GDCULIVXWNBKGI-RUZDIDTESA-N 1 1 474.590 3.256 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3ncnc(C4CC4)c3CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164914154 721804132 /nfs/dbraw/zinc/80/41/32/721804132.db2.gz AMYUWZQRZVGLML-GOSISDBHSA-N 1 1 478.641 3.153 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)C[C@H]21 ZINC001165020356 721806906 /nfs/dbraw/zinc/80/69/06/721806906.db2.gz FGOVSPYODYERDD-MISYRCLQSA-N 1 1 465.627 3.055 20 0 JGADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)CC[C@H]2C1=O ZINC001164920058 721844535 /nfs/dbraw/zinc/84/45/35/721844535.db2.gz GATBLCYTSZOAHX-TZIWHRDSSA-N 1 1 495.649 3.120 20 0 JGADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939362 721925243 /nfs/dbraw/zinc/92/52/43/721925243.db2.gz KCQLKYRCGFJYLQ-UHFFFAOYSA-N 1 1 458.990 3.415 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)ncc4N4CCOCC4)CC3)C2)cc1 ZINC001164940401 721926478 /nfs/dbraw/zinc/92/64/78/721926478.db2.gz POZXQIZAEGDTKN-UHFFFAOYSA-N 1 1 458.006 3.146 20 0 JGADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nn2)C1 ZINC001164940738 721931550 /nfs/dbraw/zinc/93/15/50/721931550.db2.gz ZMPFYCMEKZPIOC-XMMPIXPASA-N 1 1 493.652 3.436 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)CC3)C2)cc1 ZINC001164940760 721933878 /nfs/dbraw/zinc/93/38/78/721933878.db2.gz DNLUJSQJYKVQFG-FQEVSTJZSA-N 1 1 458.990 3.478 20 0 JGADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164945219 721941402 /nfs/dbraw/zinc/94/14/02/721941402.db2.gz TWWJDQWMXCGKSR-FTJBHMTQSA-N 1 1 459.594 3.334 20 0 JGADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CC2 ZINC001164945065 721973938 /nfs/dbraw/zinc/97/39/38/721973938.db2.gz OFEAXLRWLOGXCN-IBGZPJMESA-N 1 1 496.015 3.150 20 0 JGADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CC2 ZINC001164945065 721973941 /nfs/dbraw/zinc/97/39/41/721973941.db2.gz OFEAXLRWLOGXCN-IBGZPJMESA-N 1 1 496.015 3.150 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@H]32)n1 ZINC001164948132 721985295 /nfs/dbraw/zinc/98/52/95/721985295.db2.gz DVMAOKNAZRTFLP-DLBZAZTESA-N 1 1 451.662 3.010 20 0 JGADMO O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164952934 721991319 /nfs/dbraw/zinc/99/13/19/721991319.db2.gz RLAXWGKAAQZGEW-HOFKKMOUSA-N 1 1 496.677 3.240 20 0 JGADMO O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164952937 721991362 /nfs/dbraw/zinc/99/13/62/721991362.db2.gz RLAXWGKAAQZGEW-WNCULLNHSA-N 1 1 496.677 3.240 20 0 JGADMO CC(C)(C)OC(=O)[C@@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)C1 ZINC001165051297 721993175 /nfs/dbraw/zinc/99/31/75/721993175.db2.gz GVZVYMJHMIHNDV-RTBURBONSA-N 1 1 474.646 3.439 20 0 JGADMO CC(C)(C)OC(=O)[C@@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)C1 ZINC001165051297 721993177 /nfs/dbraw/zinc/99/31/77/721993177.db2.gz GVZVYMJHMIHNDV-RTBURBONSA-N 1 1 474.646 3.439 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C3)C[C@H](NC(=O)N(C)C)CCO4)c2c1C ZINC001164955329 722010024 /nfs/dbraw/zinc/01/00/24/722010024.db2.gz USDWRKCMKQGHMD-HOYKHHGWSA-N 1 1 472.659 3.303 20 0 JGADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056595 722015111 /nfs/dbraw/zinc/01/51/11/722015111.db2.gz XOFKMDHHAUFNIH-UHFFFAOYSA-N 1 1 451.596 3.098 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4CC[C@H](C3)C4C(=O)NCCc3cccs3)c2)CC1 ZINC001164957589 722038775 /nfs/dbraw/zinc/03/87/75/722038775.db2.gz AQKSDEPFDBUMOQ-QRQCMCJISA-N 1 1 454.640 3.437 20 0 JGADMO CC(C)(C)OC(=O)Nc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncn1 ZINC001164961962 722053617 /nfs/dbraw/zinc/05/36/17/722053617.db2.gz ZYKAQYQLPPLDOB-UHFFFAOYSA-N 1 1 454.575 3.338 20 0 JGADMO COc1cc2nc(C)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2cc1OC ZINC001164964058 722056245 /nfs/dbraw/zinc/05/62/45/722056245.db2.gz RFAIVPDRMILOEB-UHFFFAOYSA-N 1 1 463.582 3.469 20 0 JGADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)C1=O ZINC001164959977 722059018 /nfs/dbraw/zinc/05/90/18/722059018.db2.gz BFMPMYFHNRTOFW-UHFFFAOYSA-N 1 1 471.005 3.008 20 0 JGADMO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164965203 722062609 /nfs/dbraw/zinc/06/26/09/722062609.db2.gz JJENFBMZSAWTSJ-UHFFFAOYSA-N 1 1 453.921 3.198 20 0 JGADMO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966194 722068005 /nfs/dbraw/zinc/06/80/05/722068005.db2.gz XPSKFPQLFLMJJM-HDICACEKSA-N 1 1 478.927 3.331 20 0 JGADMO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966194 722068007 /nfs/dbraw/zinc/06/80/07/722068007.db2.gz XPSKFPQLFLMJJM-HDICACEKSA-N 1 1 478.927 3.331 20 0 JGADMO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164970288 722080156 /nfs/dbraw/zinc/08/01/56/722080156.db2.gz PPVANAAYVSPMOH-OBDYRVMHSA-N 1 1 470.621 3.352 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(C(=O)C(C)C)C[C@@]4(CCCC(=O)N4)C3)c2c1C ZINC001164971547 722088547 /nfs/dbraw/zinc/08/85/47/722088547.db2.gz JRDXVFFTYPDTSM-AREMUKBSSA-N 1 1 498.697 3.247 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3c(Cn4cccn4)nnc3C2)n1 ZINC001164971817 722089163 /nfs/dbraw/zinc/08/91/63/722089163.db2.gz DOJGTAOWLYIBET-UHFFFAOYSA-N 1 1 465.631 3.397 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5CN(c6cnn(C)c6)C(=O)[C@@H]5C3)n2)CCC4)CC1 ZINC001164983518 722095571 /nfs/dbraw/zinc/09/55/71/722095571.db2.gz TVKKMUDTGUAKQN-YLJYHZDGSA-N 1 1 491.665 3.245 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5CN(c6cnn(C)c6)C(=O)[C@H]5C3)n2)CCC4)CC1 ZINC001164983517 722095624 /nfs/dbraw/zinc/09/56/24/722095624.db2.gz TVKKMUDTGUAKQN-XLIONFOSSA-N 1 1 491.665 3.245 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981644 722100023 /nfs/dbraw/zinc/10/00/23/722100023.db2.gz LUSSAUHRWQWPBW-RBBKRZOGSA-N 1 1 486.576 3.182 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164978312 722102861 /nfs/dbraw/zinc/10/28/61/722102861.db2.gz GRHHOOUZRPOBCI-NQIIRXRSSA-N 1 1 467.957 3.192 20 0 JGADMO c1ccc(CN2CCc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c3C2)cc1 ZINC001164985251 722104180 /nfs/dbraw/zinc/10/41/80/722104180.db2.gz VRWOWWOSZXOAIH-RPLLCQBOSA-N 1 1 470.621 3.157 20 0 JGADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2N1C1CCCC1 ZINC001164973339 722117336 /nfs/dbraw/zinc/11/73/36/722117336.db2.gz HAIWXTVXSGHCOL-ZTCOLXNVSA-N 1 1 491.640 3.079 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)OCC ZINC001164975097 722118715 /nfs/dbraw/zinc/11/87/15/722118715.db2.gz JKWWYCRERSEOAW-CTNGQTDRSA-N 1 1 476.021 3.194 20 0 JGADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972523 722125239 /nfs/dbraw/zinc/12/52/39/722125239.db2.gz FXOVSRGDDUAQBC-AZUAARDMSA-N 1 1 458.006 3.386 20 0 JGADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981979 722127456 /nfs/dbraw/zinc/12/74/56/722127456.db2.gz VLCAXKZHIJHRKY-WMZOPIPTSA-N 1 1 460.916 3.345 20 0 JGADMO COC(=O)c1cc2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164980304 722132191 /nfs/dbraw/zinc/13/21/91/722132191.db2.gz MQSAXXMBHMPXHG-JXFKEZNVSA-N 1 1 455.946 3.125 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ccc-3c2=O)cc1 ZINC001164983804 722137771 /nfs/dbraw/zinc/13/77/71/722137771.db2.gz VDEXBHQBJVWPRH-KCWPFWIISA-N 1 1 499.615 3.369 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973397 722139684 /nfs/dbraw/zinc/13/96/84/722139684.db2.gz CBXUEPIPYIACQE-APWZRJJASA-N 1 1 466.916 3.189 20 0 JGADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975179 722151421 /nfs/dbraw/zinc/15/14/21/722151421.db2.gz FHRDLSJOWVMAHQ-ROUUACIJSA-N 1 1 476.915 3.452 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974691 722156534 /nfs/dbraw/zinc/15/65/34/722156534.db2.gz OWXSLYFIWDPABK-IEBWSBKVSA-N 1 1 481.931 3.494 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974693 722157538 /nfs/dbraw/zinc/15/75/38/722157538.db2.gz OWXSLYFIWDPABK-PKOBYXMFSA-N 1 1 481.931 3.494 20 0 JGADMO c1coc(CN=c2ccnc([C@H]3COCCN3)n2-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001164986334 722173064 /nfs/dbraw/zinc/17/30/64/722173064.db2.gz KAQHRZHOTKOZGT-RUZDIDTESA-N 1 1 482.588 3.180 20 0 JGADMO CCOC(=O)c1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1C(=O)OCC ZINC001164994689 722196329 /nfs/dbraw/zinc/19/63/29/722196329.db2.gz PBYSSFRJJZPLMU-XMMPIXPASA-N 1 1 456.518 3.214 20 0 JGADMO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164998805 722218536 /nfs/dbraw/zinc/21/85/36/722218536.db2.gz YDUGINOIKPHGGW-DEOSSOPVSA-N 1 1 468.989 3.158 20 0 JGADMO COCCO[C@@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)[C@@H]1Cc1cnn(C)c1 ZINC001164999380 722224781 /nfs/dbraw/zinc/22/47/81/722224781.db2.gz MJRNTZAPKQHWST-NHCUHLMSSA-N 1 1 484.670 3.490 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3cnc(CNC(C)=O)c3C2)n1 ZINC001164999414 722228330 /nfs/dbraw/zinc/22/83/30/722228330.db2.gz MWXCGKHNDQFNRO-UHFFFAOYSA-N 1 1 455.632 3.393 20 0 JGADMO CSc1ccc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1Cl ZINC001164996722 722234860 /nfs/dbraw/zinc/23/48/60/722234860.db2.gz IJUIUSGGAJKBTR-UHFFFAOYSA-N 1 1 454.978 3.149 20 0 JGADMO CSc1ccc(Oc2cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)ncn2)cc1 ZINC001165001972 722236496 /nfs/dbraw/zinc/23/64/96/722236496.db2.gz PSVFUBAENWKVDL-UHFFFAOYSA-N 1 1 463.611 3.138 20 0 JGADMO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001738 722237363 /nfs/dbraw/zinc/23/73/63/722237363.db2.gz LCUNAYGXSLSLBV-FQEVSTJZSA-N 1 1 472.641 3.156 20 0 JGADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c12 ZINC001165001531 722237439 /nfs/dbraw/zinc/23/74/39/722237439.db2.gz IEDDVJMXHAGBMN-UHFFFAOYSA-N 1 1 482.636 3.243 20 0 JGADMO Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001165001911 722239087 /nfs/dbraw/zinc/23/90/87/722239087.db2.gz OUCNROUIAJJIFJ-UHFFFAOYSA-N 1 1 478.044 3.485 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165003129 722241679 /nfs/dbraw/zinc/24/16/79/722241679.db2.gz IIEUEXJZVSCYQB-OFNKIYASSA-N 1 1 474.613 3.072 20 0 JGADMO O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CCO2 ZINC001165000637 722248859 /nfs/dbraw/zinc/24/88/59/722248859.db2.gz IEOJJWFHMQBSHF-HHHXNRCGSA-N 1 1 473.577 3.140 20 0 JGADMO O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001165000637 722248861 /nfs/dbraw/zinc/24/88/61/722248861.db2.gz IEOJJWFHMQBSHF-HHHXNRCGSA-N 1 1 473.577 3.140 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001305794458 1069312358 /nfs/dbraw/zinc/31/23/58/1069312358.db2.gz KMEXHQLQBKHISQ-FGZHOGPDSA-N 1 1 454.619 3.259 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305795346 1069314376 /nfs/dbraw/zinc/31/43/76/1069314376.db2.gz KOLPYBFRQWNESP-UHFFFAOYSA-N 1 1 486.636 3.475 20 0 JGADMO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1)c1ccccc1 ZINC001305802796 1069326645 /nfs/dbraw/zinc/32/66/45/1069326645.db2.gz IMTKDFLTJCXUDH-JTHBVZDNSA-N 1 1 468.646 3.255 20 0 JGADMO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1)c1ccccc1 ZINC001305802795 1069326696 /nfs/dbraw/zinc/32/66/96/1069326696.db2.gz IMTKDFLTJCXUDH-GMAHTHKFSA-N 1 1 468.646 3.255 20 0 JGADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccn1)[N@H+]1CCc2ccccc2C1 ZINC001305804777 1069330005 /nfs/dbraw/zinc/33/00/05/1069330005.db2.gz VKKVLFCOTOXMNH-QHCPKHFHSA-N 1 1 461.614 3.285 20 0 JGADMO CC[C@H](Cn1c(C(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC001305806970 1069335766 /nfs/dbraw/zinc/33/57/66/1069335766.db2.gz RCWCZFDKPBPRQV-JOCHJYFZSA-N 1 1 488.702 3.099 20 0 JGADMO CC[C@@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001305807739 1069336625 /nfs/dbraw/zinc/33/66/25/1069336625.db2.gz SLXABOXRNIIROT-WTGUMLROSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCCO[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001305810669 1069340654 /nfs/dbraw/zinc/34/06/54/1069340654.db2.gz PWQPNMXMRUZTOT-PQNGQFLHSA-N 1 1 471.646 3.454 20 0 JGADMO CC[C@@H](Cn1c(C)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001305809711 1069339741 /nfs/dbraw/zinc/33/97/41/1069339741.db2.gz RROFXQSDGOSOGJ-QHCPKHFHSA-N 1 1 485.677 3.144 20 0 JGADMO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)OC ZINC001305811774 1069342212 /nfs/dbraw/zinc/34/22/12/1069342212.db2.gz RUBQBWZRGVZCQO-ZMSDIMECSA-N 1 1 453.429 3.390 20 0 JGADMO CC[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305813736 1069344632 /nfs/dbraw/zinc/34/46/32/1069344632.db2.gz IWRAUXQVYVZRIL-OAQYLSRUSA-N 1 1 482.629 3.497 20 0 JGADMO CC[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305813736 1069344652 /nfs/dbraw/zinc/34/46/52/1069344652.db2.gz IWRAUXQVYVZRIL-OAQYLSRUSA-N 1 1 482.629 3.497 20 0 JGADMO CC[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305813734 1069344762 /nfs/dbraw/zinc/34/47/62/1069344762.db2.gz IWRAUXQVYVZRIL-NRFANRHFSA-N 1 1 482.629 3.497 20 0 JGADMO CC[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305813734 1069344781 /nfs/dbraw/zinc/34/47/81/1069344781.db2.gz IWRAUXQVYVZRIL-NRFANRHFSA-N 1 1 482.629 3.497 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)OC ZINC001305813996 1069345043 /nfs/dbraw/zinc/34/50/43/1069345043.db2.gz LIOCBMNZCXNYJA-VQIMIIECSA-N 1 1 466.424 3.290 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305814684 1069347082 /nfs/dbraw/zinc/34/70/82/1069347082.db2.gz PJLICDYOCWLUFB-DFBJGRDBSA-N 1 1 488.633 3.451 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305831899 1069373560 /nfs/dbraw/zinc/37/35/60/1069373560.db2.gz GMSPQKOGJUAOSA-WJFTUGDTSA-N 1 1 450.628 3.004 20 0 JGADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001305837062 1069379890 /nfs/dbraw/zinc/37/98/90/1069379890.db2.gz RRGHKZVTBDRNJD-XMMPIXPASA-N 1 1 496.700 3.435 20 0 JGADMO CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305837613 1069381021 /nfs/dbraw/zinc/38/10/21/1069381021.db2.gz YOPGKGIHXMZDQI-UXHICEINSA-N 1 1 494.681 3.022 20 0 JGADMO CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305837613 1069381028 /nfs/dbraw/zinc/38/10/28/1069381028.db2.gz YOPGKGIHXMZDQI-UXHICEINSA-N 1 1 494.681 3.022 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001305837840 1069381490 /nfs/dbraw/zinc/38/14/90/1069381490.db2.gz PLARLYJEWUQQOG-FCJDFRRUSA-N 1 1 489.686 3.095 20 0 JGADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305839297 1069384774 /nfs/dbraw/zinc/38/47/74/1069384774.db2.gz UOMYEYGCGBMIGV-FCHUYYIVSA-N 1 1 473.687 3.327 20 0 JGADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001305839297 1069384786 /nfs/dbraw/zinc/38/47/86/1069384786.db2.gz UOMYEYGCGBMIGV-FCHUYYIVSA-N 1 1 473.687 3.327 20 0 JGADMO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)O1 ZINC001305858211 1069413547 /nfs/dbraw/zinc/41/35/47/1069413547.db2.gz CIWRNAYOBSFGSC-VMODYCNZSA-N 1 1 490.737 3.446 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cc[nH+]c2C)CCO1 ZINC001305879543 1069432164 /nfs/dbraw/zinc/43/21/64/1069432164.db2.gz AZRJAACYFSNZCR-DEOSSOPVSA-N 1 1 451.575 3.358 20 0 JGADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001305880480 1069433213 /nfs/dbraw/zinc/43/32/13/1069433213.db2.gz FZGPIHKDFUBFEL-HHHXNRCGSA-N 1 1 497.688 3.179 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001305886170 1069442519 /nfs/dbraw/zinc/44/25/19/1069442519.db2.gz IUKWVXHHCPKSQZ-RCZVLFRGSA-N 1 1 457.619 3.316 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001305893488 1069450522 /nfs/dbraw/zinc/45/05/22/1069450522.db2.gz LHLCOKCKJSDGLC-FHWLQOOXSA-N 1 1 454.685 3.025 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305893494 1069450605 /nfs/dbraw/zinc/45/06/05/1069450605.db2.gz LHLCOKCKJSDGLC-QYZOEREBSA-N 1 1 454.685 3.025 20 0 JGADMO CCc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001305915818 1069470322 /nfs/dbraw/zinc/47/03/22/1069470322.db2.gz APCCDFZYDPPLFT-NHCUHLMSSA-N 1 1 459.660 3.251 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC001305919696 1069475356 /nfs/dbraw/zinc/47/53/56/1069475356.db2.gz PUIQGJSJFJYIBT-YHBROIRLSA-N 1 1 459.660 3.138 20 0 JGADMO CCc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305920813 1069476918 /nfs/dbraw/zinc/47/69/18/1069476918.db2.gz URHZJMONJHYBHN-PKTZIBPZSA-N 1 1 473.687 3.499 20 0 JGADMO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298219855 1064133603 /nfs/dbraw/zinc/13/36/03/1064133603.db2.gz FHYXZDCFJZZHDV-UHFFFAOYSA-N 1 1 478.588 3.331 20 0 JGADMO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001298219855 1064133607 /nfs/dbraw/zinc/13/36/07/1064133607.db2.gz FHYXZDCFJZZHDV-UHFFFAOYSA-N 1 1 478.588 3.331 20 0 JGADMO CN(CC(C)(C)C)c1nnc([C@H]2CCCOC2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298231818 1064139689 /nfs/dbraw/zinc/13/96/89/1064139689.db2.gz UTQKXDGSCWPUIY-QHCPKHFHSA-N 1 1 454.663 3.472 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnnn1C ZINC001298235554 1064141452 /nfs/dbraw/zinc/14/14/52/1064141452.db2.gz IJAJYOFFMBWJBL-UHFFFAOYSA-N 1 1 480.661 3.214 20 0 JGADMO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298236376 1064141963 /nfs/dbraw/zinc/14/19/63/1064141963.db2.gz SZZWZGCUILYACH-QFIPXVFZSA-N 1 1 469.678 3.255 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc[nH]2)n1Cc1cc(COC(C)(C)C)on1 ZINC001298236113 1064142048 /nfs/dbraw/zinc/14/20/48/1064142048.db2.gz NJAUNDPSABMDHS-UHFFFAOYSA-N 1 1 485.633 3.419 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccsc1 ZINC001298238952 1064143589 /nfs/dbraw/zinc/14/35/89/1064143589.db2.gz CGEBLGNTARAXGI-RDPSFJRHSA-N 1 1 477.675 3.284 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CCc1cccs1 ZINC001298239535 1064144015 /nfs/dbraw/zinc/14/40/15/1064144015.db2.gz IJRKKAPADJWANG-UHFFFAOYSA-N 1 1 454.644 3.363 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C1CC1 ZINC001298240444 1064145394 /nfs/dbraw/zinc/14/53/94/1064145394.db2.gz QKVGJWUYKMHGNG-IPVFLDMMSA-N 1 1 477.694 3.152 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCSC1 ZINC001298240430 1064145439 /nfs/dbraw/zinc/14/54/39/1064145439.db2.gz QBVKIPMSARQMOO-FQEVSTJZSA-N 1 1 458.676 3.202 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1C[C@](C)(O)c1cccs1 ZINC001298240217 1064145550 /nfs/dbraw/zinc/14/55/50/1064145550.db2.gz OGQQRFCSHGTJAT-VWLOTQADSA-N 1 1 484.670 3.028 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@H]2CCCCO2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001298250490 1064150197 /nfs/dbraw/zinc/15/01/97/1064150197.db2.gz XMTZLSKITVCQSX-LJQANCHMSA-N 1 1 467.540 3.126 20 0 JGADMO CN(CC(F)(F)F)c1nnc(COc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298252701 1064152233 /nfs/dbraw/zinc/15/22/33/1064152233.db2.gz TUJSFXOTSNVZPW-UHFFFAOYSA-N 1 1 458.504 3.021 20 0 JGADMO CN(Cc1cc(Cl)ccn1)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCOCC1 ZINC001298265069 1064158935 /nfs/dbraw/zinc/15/89/35/1064158935.db2.gz DCVCEIPIXLKZJU-UHFFFAOYSA-N 1 1 458.969 3.415 20 0 JGADMO Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c(C)c1 ZINC001298265939 1064159437 /nfs/dbraw/zinc/15/94/37/1064159437.db2.gz ATSCBLXJMWZBBX-UHFFFAOYSA-N 1 1 457.640 3.451 20 0 JGADMO O=C(CCCC[NH+]1CCOCC1)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC001298268469 1064160507 /nfs/dbraw/zinc/16/05/07/1064160507.db2.gz UVSUEDHKWCHMQZ-GOSISDBHSA-N 1 1 456.368 3.185 20 0 JGADMO O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NC[C@H]1CCCC[N@@H+]1CCO ZINC001298289727 1064175386 /nfs/dbraw/zinc/17/53/86/1064175386.db2.gz USGKXLDSTPYXDV-LJQANCHMSA-N 1 1 456.974 3.232 20 0 JGADMO CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cnccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298303424 1064183854 /nfs/dbraw/zinc/18/38/54/1064183854.db2.gz OBSHKTLNXDSQQW-UHFFFAOYSA-N 1 1 473.000 3.190 20 0 JGADMO CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298303424 1064183858 /nfs/dbraw/zinc/18/38/58/1064183858.db2.gz OBSHKTLNXDSQQW-UHFFFAOYSA-N 1 1 473.000 3.190 20 0 JGADMO CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cnccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298303424 1064183864 /nfs/dbraw/zinc/18/38/64/1064183864.db2.gz OBSHKTLNXDSQQW-UHFFFAOYSA-N 1 1 473.000 3.190 20 0 JGADMO CN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001298309927 1064187003 /nfs/dbraw/zinc/18/70/03/1064187003.db2.gz OCTAZCYRUKBNCE-QUCCMNQESA-N 1 1 463.623 3.076 20 0 JGADMO CN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298309927 1064187010 /nfs/dbraw/zinc/18/70/10/1064187010.db2.gz OCTAZCYRUKBNCE-QUCCMNQESA-N 1 1 463.623 3.076 20 0 JGADMO CN(Cc1ccc(F)cc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298312304 1064187988 /nfs/dbraw/zinc/18/79/88/1064187988.db2.gz IQFWNOSIJXIFFQ-NRFANRHFSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298317351 1064192563 /nfs/dbraw/zinc/19/25/63/1064192563.db2.gz RIJZPVAHKYPMJK-UNMCSNQZSA-N 1 1 489.686 3.332 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298317367 1064192998 /nfs/dbraw/zinc/19/29/98/1064192998.db2.gz RQMIRSHMNXIXMI-HXUWFJFHSA-N 1 1 475.659 3.086 20 0 JGADMO COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC001298317966 1064193466 /nfs/dbraw/zinc/19/34/66/1064193466.db2.gz GTHZTWSEWNKENY-SFHVURJKSA-N 1 1 457.596 3.442 20 0 JGADMO COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC001298317966 1064193468 /nfs/dbraw/zinc/19/34/68/1064193468.db2.gz GTHZTWSEWNKENY-SFHVURJKSA-N 1 1 457.596 3.442 20 0 JGADMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001298317801 1064193555 /nfs/dbraw/zinc/19/35/55/1064193555.db2.gz AJJQVYVGDHZTFD-HXUWFJFHSA-N 1 1 452.580 3.128 20 0 JGADMO O=C(CC1CCCCC1)NC1CCC(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC001298320859 1064196253 /nfs/dbraw/zinc/19/62/53/1064196253.db2.gz KFSFGNUHAOSLPT-PUOLSWATSA-N 1 1 455.643 3.167 20 0 JGADMO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(CC2CCCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298321008 1064196928 /nfs/dbraw/zinc/19/69/28/1064196928.db2.gz BJOFLZIYYZLJDU-UUWRZZSWSA-N 1 1 486.730 3.411 20 0 JGADMO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298321008 1064196931 /nfs/dbraw/zinc/19/69/31/1064196931.db2.gz BJOFLZIYYZLJDU-UUWRZZSWSA-N 1 1 486.730 3.411 20 0 JGADMO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(CC2CCCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298321008 1064196937 /nfs/dbraw/zinc/19/69/37/1064196937.db2.gz BJOFLZIYYZLJDU-UUWRZZSWSA-N 1 1 486.730 3.411 20 0 JGADMO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298321597 1064197466 /nfs/dbraw/zinc/19/74/66/1064197466.db2.gz VXEFEJDDMMXBTQ-CGKQSPDFSA-N 1 1 459.660 3.278 20 0 JGADMO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(C2CCCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298322076 1064197948 /nfs/dbraw/zinc/19/79/48/1064197948.db2.gz XHEKREHVVFUNQX-YTTGMZPUSA-N 1 1 459.660 3.420 20 0 JGADMO CN(Cc1cccc(Br)c1)c1nnc(-c2cccnc2)n1CCC[NH+]1CCOCC1 ZINC001298324850 1064199606 /nfs/dbraw/zinc/19/96/06/1064199606.db2.gz BTPGEAQQHDXDFV-UHFFFAOYSA-N 1 1 471.403 3.461 20 0 JGADMO CN(Cc1cccc(C(N)=O)c1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CC=CCC1 ZINC001298331587 1064206116 /nfs/dbraw/zinc/20/61/16/1064206116.db2.gz MZRARHVGRMCDLV-UHFFFAOYSA-N 1 1 484.402 3.033 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001298338316 1064208365 /nfs/dbraw/zinc/20/83/65/1064208365.db2.gz UFIZINQFFMRWRX-SFHVURJKSA-N 1 1 466.051 3.344 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001298350985 1064214774 /nfs/dbraw/zinc/21/47/74/1064214774.db2.gz PBYLHQGBNFNKET-QHCPKHFHSA-N 1 1 491.640 3.499 20 0 JGADMO C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001298351613 1064215299 /nfs/dbraw/zinc/21/52/99/1064215299.db2.gz WGXIDXFDXJNMPI-QFIPXVFZSA-N 1 1 473.687 3.359 20 0 JGADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)Cc3ccco3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001298376570 1064225032 /nfs/dbraw/zinc/22/50/32/1064225032.db2.gz ZHQNFGCVXRLFNV-UHFFFAOYSA-N 1 1 486.642 3.299 20 0 JGADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001298378633 1064226189 /nfs/dbraw/zinc/22/61/89/1064226189.db2.gz MILJAWNPBPGCEO-DEOSSOPVSA-N 1 1 457.640 3.280 20 0 JGADMO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1OC ZINC001298379108 1064226548 /nfs/dbraw/zinc/22/65/48/1064226548.db2.gz ZAQVGFPJYXUAOH-ZYSHUDEJSA-N 1 1 453.539 3.117 20 0 JGADMO CN(Cc1cnccn1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001298410195 1064239878 /nfs/dbraw/zinc/23/98/78/1064239878.db2.gz SNELVQIXSLJAJK-HXUWFJFHSA-N 1 1 482.633 3.081 20 0 JGADMO CN(Cc1ccoc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001298419614 1064243970 /nfs/dbraw/zinc/24/39/70/1064243970.db2.gz ZFZHZDWNMHNNJC-FQEVSTJZSA-N 1 1 472.590 3.078 20 0 JGADMO CN(Cc1ccon1)c1nnc(CC(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001298471505 1064268459 /nfs/dbraw/zinc/26/84/59/1064268459.db2.gz HJUGRNYIFHSPNI-UHFFFAOYSA-N 1 1 452.607 3.098 20 0 JGADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CC3CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001298490021 1064277339 /nfs/dbraw/zinc/27/73/39/1064277339.db2.gz DLIDCGPZNZYTNE-OAQYLSRUSA-N 1 1 474.675 3.162 20 0 JGADMO CN(CC1CCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298520094 1064289185 /nfs/dbraw/zinc/28/91/85/1064289185.db2.gz LJNCRPYMZYOVDS-BGYRXZFFSA-N 1 1 476.666 3.396 20 0 JGADMO CN(CC1CCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298520094 1064289201 /nfs/dbraw/zinc/28/92/01/1064289201.db2.gz LJNCRPYMZYOVDS-BGYRXZFFSA-N 1 1 476.666 3.396 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298560331 1064327444 /nfs/dbraw/zinc/32/74/44/1064327444.db2.gz WTSVKZCKTCYQJB-QGZVFWFLSA-N 1 1 495.466 3.020 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001298560331 1064327458 /nfs/dbraw/zinc/32/74/58/1064327458.db2.gz WTSVKZCKTCYQJB-QGZVFWFLSA-N 1 1 495.466 3.020 20 0 JGADMO CN(CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)CC1)C(=O)OC(C)(C)C ZINC001298564863 1064333141 /nfs/dbraw/zinc/33/31/41/1064333141.db2.gz MQGCUNSPJRBAFM-OAQYLSRUSA-N 1 1 474.650 3.127 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCCCO2)n1CC(=O)NCC(F)(F)F ZINC001298565272 1064334447 /nfs/dbraw/zinc/33/44/47/1064334447.db2.gz BINDLXMCQQTOET-WOJBJXKFSA-N 1 1 494.562 3.157 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC(=O)NCC(F)(F)F ZINC001298567646 1064339483 /nfs/dbraw/zinc/33/94/83/1064339483.db2.gz MJLQEWRVZVSKNJ-GOSISDBHSA-N 1 1 466.552 3.212 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001298571382 1064345531 /nfs/dbraw/zinc/34/55/31/1064345531.db2.gz NODGLZLMOKBNMI-INIZCTEOSA-N 1 1 451.974 3.321 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001298571382 1064345543 /nfs/dbraw/zinc/34/55/43/1064345543.db2.gz NODGLZLMOKBNMI-INIZCTEOSA-N 1 1 451.974 3.321 20 0 JGADMO CN(CC1CCOCC1)c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCOCC1 ZINC001298577728 1064351315 /nfs/dbraw/zinc/35/13/15/1064351315.db2.gz OBIVUVXFZOUWAQ-UHFFFAOYSA-N 1 1 478.435 3.293 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2cccnc2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001298593942 1064368670 /nfs/dbraw/zinc/36/86/70/1064368670.db2.gz OKOADJVLGSHKOJ-HXUWFJFHSA-N 1 1 460.504 3.344 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298601577 1064376590 /nfs/dbraw/zinc/37/65/90/1064376590.db2.gz KMUPQJQHWRVOCW-UHFFFAOYSA-N 1 1 475.382 3.248 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001298601577 1064376598 /nfs/dbraw/zinc/37/65/98/1064376598.db2.gz KMUPQJQHWRVOCW-UHFFFAOYSA-N 1 1 475.382 3.248 20 0 JGADMO CN(C1CCN(c2nnc(-c3ccccc3)n2CCC[N@@H+](C)C2CCCCC2)CC1)S(C)(=O)=O ZINC001298666440 1064443640 /nfs/dbraw/zinc/44/36/40/1064443640.db2.gz BQKLVYWVSIGPHM-UHFFFAOYSA-N 1 1 488.702 3.460 20 0 JGADMO C[N@@H+](CCCn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC001298667128 1064447325 /nfs/dbraw/zinc/44/73/25/1064447325.db2.gz XTMQZCUTIOGBIT-UHFFFAOYSA-N 1 1 492.665 3.211 20 0 JGADMO C[N@@H+](CCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Cc1ccccc1 ZINC001298672527 1064457067 /nfs/dbraw/zinc/45/70/67/1064457067.db2.gz UUROIISVTILROE-DHIUTWEWSA-N 1 1 482.673 3.435 20 0 JGADMO C[N@@H+](CCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC001298672948 1064457293 /nfs/dbraw/zinc/45/72/93/1064457293.db2.gz ZXBJVSUCABDPMF-NRFANRHFSA-N 1 1 480.579 3.379 20 0 JGADMO C[N@@H+](CCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1)C1CCCCC1 ZINC001298674168 1064458897 /nfs/dbraw/zinc/45/88/97/1064458897.db2.gz KEOCIPLSJLGBRF-UHFFFAOYSA-N 1 1 487.737 3.266 20 0 JGADMO C[N@@H+](CCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC(C)(C)C1)C1CCCCC1 ZINC001298676142 1064464312 /nfs/dbraw/zinc/46/43/12/1064464312.db2.gz QTAYSXLJQUBVPM-UHFFFAOYSA-N 1 1 460.667 3.449 20 0 JGADMO Cn1cc(-c2nnc(N3C[C@@H]4[C@H](C3)C4(C)C)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)cn1 ZINC001298682209 1064474380 /nfs/dbraw/zinc/47/43/80/1064474380.db2.gz BSGZSDPANNIMOX-BGYRXZFFSA-N 1 1 486.665 3.008 20 0 JGADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001298683244 1064476603 /nfs/dbraw/zinc/47/66/03/1064476603.db2.gz NQPPUNJHWGMNNW-AQNXPRMDSA-N 1 1 476.666 3.111 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccc2F)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298690393 1064487637 /nfs/dbraw/zinc/48/76/37/1064487637.db2.gz CKZZIVJNYOOOHA-UHFFFAOYSA-N 1 1 451.612 3.077 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298692688 1064492855 /nfs/dbraw/zinc/49/28/55/1064492855.db2.gz WQSHAFNICQWWJC-OAQYLSRUSA-N 1 1 472.659 3.418 20 0 JGADMO CN(CCn1cccn1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001298697566 1064498907 /nfs/dbraw/zinc/49/89/07/1064498907.db2.gz MQJIUOJXLOLTES-UHFFFAOYSA-N 1 1 450.978 3.458 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298697386 1064498943 /nfs/dbraw/zinc/49/89/43/1064498943.db2.gz FJVLDPJSRZZIIZ-NRFANRHFSA-N 1 1 481.576 3.202 20 0 JGADMO CN(CCn1c(-c2cccn2C)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)CC(F)(F)F ZINC001298705426 1064510081 /nfs/dbraw/zinc/51/00/81/1064510081.db2.gz USIWFQRHKUPZPI-FQEVSTJZSA-N 1 1 475.563 3.488 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC001298706206 1064511601 /nfs/dbraw/zinc/51/16/01/1064511601.db2.gz QHYHLBSEPAUSMA-QZTJIDSGSA-N 1 1 450.509 3.140 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001298707739 1064513286 /nfs/dbraw/zinc/51/32/86/1064513286.db2.gz DEJSTDFIVBIROM-VQTJNVASSA-N 1 1 476.666 3.398 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298712337 1064519277 /nfs/dbraw/zinc/51/92/77/1064519277.db2.gz BAZZMKBAMVYKCU-RBBKRZOGSA-N 1 1 486.636 3.184 20 0 JGADMO Cn1cc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)CC2)cn1 ZINC001298712541 1064520201 /nfs/dbraw/zinc/52/02/01/1064520201.db2.gz KYBUDCNSLHCKEW-UHFFFAOYSA-N 1 1 468.625 3.198 20 0 JGADMO C[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Cc1ccccc1 ZINC001298713929 1064522510 /nfs/dbraw/zinc/52/25/10/1064522510.db2.gz IHDDTVBOOBEKTD-VXKWHMMOSA-N 1 1 489.686 3.096 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Cc1ccccc1 ZINC001298713929 1064522529 /nfs/dbraw/zinc/52/25/29/1064522529.db2.gz IHDDTVBOOBEKTD-VXKWHMMOSA-N 1 1 489.686 3.096 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298713965 1064523217 /nfs/dbraw/zinc/52/32/17/1064523217.db2.gz ISWAFMDYYQJCMB-HXUWFJFHSA-N 1 1 488.608 3.110 20 0 JGADMO CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)CC(F)(F)F ZINC001298714808 1064524461 /nfs/dbraw/zinc/52/44/61/1064524461.db2.gz QJQVWANZGAQOGD-OAQYLSRUSA-N 1 1 480.579 3.379 20 0 JGADMO CN(CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001298715068 1064524724 /nfs/dbraw/zinc/52/47/24/1064524724.db2.gz SFJLNVAVWCOZBP-FGZHOGPDSA-N 1 1 484.645 3.360 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1)C1CCCCC1 ZINC001298715967 1064525306 /nfs/dbraw/zinc/52/53/06/1064525306.db2.gz ZWXWWEYDLUKQED-INIZCTEOSA-N 1 1 475.581 3.144 20 0 JGADMO CN(CCn1c(CCOc2ccccc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001298718297 1064529219 /nfs/dbraw/zinc/52/92/19/1064529219.db2.gz ZDQDDQJLJSRFNY-OAQYLSRUSA-N 1 1 484.645 3.441 20 0 JGADMO C[N@@H+](CCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C)C1CCCC1 ZINC001298719600 1064530029 /nfs/dbraw/zinc/53/00/29/1064530029.db2.gz MJBXAZNNSISPRU-NRFANRHFSA-N 1 1 480.723 3.281 20 0 JGADMO C[N@@H+](CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298719809 1064530399 /nfs/dbraw/zinc/53/03/99/1064530399.db2.gz QDCKPWOUQGMXJC-HXUWFJFHSA-N 1 1 493.649 3.274 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1CC1CCCCC1 ZINC001298727185 1064536093 /nfs/dbraw/zinc/53/60/93/1064536093.db2.gz CQTYXUUJHOSBBH-UHFFFAOYSA-N 1 1 455.607 3.053 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1CC1CCCCC1 ZINC001298727185 1064536110 /nfs/dbraw/zinc/53/61/10/1064536110.db2.gz CQTYXUUJHOSBBH-UHFFFAOYSA-N 1 1 455.607 3.053 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001298727920 1064537901 /nfs/dbraw/zinc/53/79/01/1064537901.db2.gz KRHIBXXSOZZPEV-IBGZPJMESA-N 1 1 487.649 3.220 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001298727920 1064537915 /nfs/dbraw/zinc/53/79/15/1064537915.db2.gz KRHIBXXSOZZPEV-IBGZPJMESA-N 1 1 487.649 3.220 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001298728231 1064539866 /nfs/dbraw/zinc/53/98/66/1064539866.db2.gz NYJYQVUIRIUPFC-VWLOTQADSA-N 1 1 485.032 3.448 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001298728231 1064539882 /nfs/dbraw/zinc/53/98/82/1064539882.db2.gz NYJYQVUIRIUPFC-VWLOTQADSA-N 1 1 485.032 3.448 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1 ZINC001298728311 1064540110 /nfs/dbraw/zinc/54/01/10/1064540110.db2.gz QGRFBWOZLDNKDW-UHFFFAOYSA-N 1 1 451.015 3.250 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1 ZINC001298728311 1064540122 /nfs/dbraw/zinc/54/01/22/1064540122.db2.gz QGRFBWOZLDNKDW-UHFFFAOYSA-N 1 1 451.015 3.250 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1Cc1cccc(Br)n1 ZINC001298728373 1064540595 /nfs/dbraw/zinc/54/05/95/1064540595.db2.gz SBAHZFCAYGZNEQ-UHFFFAOYSA-N 1 1 486.418 3.093 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1Cc1cccc(Br)n1 ZINC001298728373 1064540606 /nfs/dbraw/zinc/54/06/06/1064540606.db2.gz SBAHZFCAYGZNEQ-UHFFFAOYSA-N 1 1 486.418 3.093 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CCCOc1ccccc1 ZINC001298728539 1064541169 /nfs/dbraw/zinc/54/11/69/1064541169.db2.gz WIIDPAAMRBBJLL-UHFFFAOYSA-N 1 1 450.587 3.356 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CCCOc1ccccc1 ZINC001298728539 1064541184 /nfs/dbraw/zinc/54/11/84/1064541184.db2.gz WIIDPAAMRBBJLL-UHFFFAOYSA-N 1 1 450.587 3.356 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(F)F ZINC001298729040 1064543108 /nfs/dbraw/zinc/54/31/08/1064543108.db2.gz FGWVDFNZNLWYAY-UHFFFAOYSA-N 1 1 492.619 3.044 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(F)F ZINC001298729040 1064543120 /nfs/dbraw/zinc/54/31/20/1064543120.db2.gz FGWVDFNZNLWYAY-UHFFFAOYSA-N 1 1 492.619 3.044 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001298730003 1064544323 /nfs/dbraw/zinc/54/43/23/1064544323.db2.gz PHKDZMJMOZBEKI-GOSISDBHSA-N 1 1 474.616 3.298 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001298730003 1064544334 /nfs/dbraw/zinc/54/43/34/1064544334.db2.gz PHKDZMJMOZBEKI-GOSISDBHSA-N 1 1 474.616 3.298 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1Cc1ccsc1Br ZINC001298730402 1064545774 /nfs/dbraw/zinc/54/57/74/1064545774.db2.gz YVFHZVYKDILNDO-MRXNPFEDSA-N 1 1 484.464 3.201 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1Cc1ccsc1Br ZINC001298730402 1064545785 /nfs/dbraw/zinc/54/57/85/1064545785.db2.gz YVFHZVYKDILNDO-MRXNPFEDSA-N 1 1 484.464 3.201 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2cn3ccccc3n2)n1CCCC(F)(F)F ZINC001298730409 1064546133 /nfs/dbraw/zinc/54/61/33/1064546133.db2.gz ZABXQMIKGHRGEY-UHFFFAOYSA-N 1 1 479.551 3.406 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2cn3ccccc3n2)n1CCCC(F)(F)F ZINC001298730409 1064546146 /nfs/dbraw/zinc/54/61/46/1064546146.db2.gz ZABXQMIKGHRGEY-UHFFFAOYSA-N 1 1 479.551 3.406 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C2CCC2)n1CCCNC(=O)OC(C)(C)C ZINC001298730438 1064546178 /nfs/dbraw/zinc/54/61/78/1064546178.db2.gz ZQTJVWGCANSFNQ-UHFFFAOYSA-N 1 1 450.628 3.007 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C2CCC2)n1CCCNC(=O)OC(C)(C)C ZINC001298730438 1064546190 /nfs/dbraw/zinc/54/61/90/1064546190.db2.gz ZQTJVWGCANSFNQ-UHFFFAOYSA-N 1 1 450.628 3.007 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001298730439 1064546402 /nfs/dbraw/zinc/54/64/02/1064546402.db2.gz ZRBHGWYMHRJLSP-IBGZPJMESA-N 1 1 463.573 3.489 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001298730439 1064546415 /nfs/dbraw/zinc/54/64/15/1064546415.db2.gz ZRBHGWYMHRJLSP-IBGZPJMESA-N 1 1 463.573 3.489 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001298734104 1064549614 /nfs/dbraw/zinc/54/96/14/1064549614.db2.gz YHDDCUBVCXZEOX-TZIWHRDSSA-N 1 1 475.609 3.094 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001298734104 1064549633 /nfs/dbraw/zinc/54/96/33/1064549633.db2.gz YHDDCUBVCXZEOX-TZIWHRDSSA-N 1 1 475.609 3.094 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001298734045 1064549821 /nfs/dbraw/zinc/54/98/21/1064549821.db2.gz WPODOBXKTQSOIH-INDMIFKZSA-N 1 1 480.629 3.126 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001298734045 1064549835 /nfs/dbraw/zinc/54/98/35/1064549835.db2.gz WPODOBXKTQSOIH-INDMIFKZSA-N 1 1 480.629 3.126 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001298753733 1064563443 /nfs/dbraw/zinc/56/34/43/1064563443.db2.gz UOINGHMQIPALFL-PKTZIBPZSA-N 1 1 471.646 3.038 20 0 JGADMO CN(CCOc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298759834 1064567674 /nfs/dbraw/zinc/56/76/74/1064567674.db2.gz FXNXTIVAOBKFIF-UHFFFAOYSA-N 1 1 456.566 3.049 20 0 JGADMO CN(CCOc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298759834 1064567697 /nfs/dbraw/zinc/56/76/97/1064567697.db2.gz FXNXTIVAOBKFIF-UHFFFAOYSA-N 1 1 456.566 3.049 20 0 JGADMO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+](C)C1CCCCC1 ZINC001298775513 1064580593 /nfs/dbraw/zinc/58/05/93/1064580593.db2.gz KFMXENUYMPQQAP-UHFFFAOYSA-N 1 1 472.030 3.483 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CCSC(C)(C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298801731 1064599289 /nfs/dbraw/zinc/59/92/89/1064599289.db2.gz NVHKUWRWSOAQCH-UHFFFAOYSA-N 1 1 497.507 3.489 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CCSC(C)(C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001298801731 1064599304 /nfs/dbraw/zinc/59/93/04/1064599304.db2.gz NVHKUWRWSOAQCH-UHFFFAOYSA-N 1 1 497.507 3.489 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CCC(F)(F)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298802022 1064600710 /nfs/dbraw/zinc/60/07/10/1064600710.db2.gz CAJGVTUAAAOYGR-UHFFFAOYSA-N 1 1 487.393 3.392 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CCC(F)(F)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298802022 1064600714 /nfs/dbraw/zinc/60/07/14/1064600714.db2.gz CAJGVTUAAAOYGR-UHFFFAOYSA-N 1 1 487.393 3.392 20 0 JGADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C2 ZINC001298815996 1064617608 /nfs/dbraw/zinc/61/76/08/1064617608.db2.gz JUYCHZLXPQLCKF-ATIYNZHBSA-N 1 1 457.615 3.434 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2CC[S@@](=O)C(C)(C)C)cn1 ZINC001298816964 1064618203 /nfs/dbraw/zinc/61/82/03/1064618203.db2.gz NXMSRWZGKQQBRA-UUWRZZSWSA-N 1 1 487.649 3.077 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2CC[S@@](=O)C(C)(C)C)cn1 ZINC001298816964 1064618208 /nfs/dbraw/zinc/61/82/08/1064618208.db2.gz NXMSRWZGKQQBRA-UUWRZZSWSA-N 1 1 487.649 3.077 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccc(Cl)nc3)CC2)cn1 ZINC001298828041 1064632269 /nfs/dbraw/zinc/63/22/69/1064632269.db2.gz LBPFSUVOTPKVIB-UHFFFAOYSA-N 1 1 457.026 3.409 20 0 JGADMO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N(CCN1CCOCC1)Cc1sccc1Br ZINC001298839869 1064642354 /nfs/dbraw/zinc/64/23/54/1064642354.db2.gz KJLYFPGRFLAOCI-FUHWJXTLSA-N 1 1 456.450 3.188 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298853746 1064656336 /nfs/dbraw/zinc/65/63/36/1064656336.db2.gz CTYQZJHFNUCDJY-FQEVSTJZSA-N 1 1 458.651 3.304 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCOCC(F)F ZINC001298861622 1064664621 /nfs/dbraw/zinc/66/46/21/1064664621.db2.gz KWCPZJWPZCABNR-UHFFFAOYSA-N 1 1 462.520 3.417 20 0 JGADMO Cn1cccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298862775 1064666690 /nfs/dbraw/zinc/66/66/90/1064666690.db2.gz XIOABFNTLMKYPK-UHFFFAOYSA-N 1 1 470.666 3.036 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298879229 1064684225 /nfs/dbraw/zinc/68/42/25/1064684225.db2.gz NQDNISXOLYVHBT-IERDGZPVSA-N 1 1 454.402 3.324 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298881196 1064686691 /nfs/dbraw/zinc/68/66/91/1064686691.db2.gz DAMUPVFQVJMHAM-KSFYIVLOSA-N 1 1 484.428 3.093 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298880833 1064686809 /nfs/dbraw/zinc/68/68/09/1064686809.db2.gz XQXSVGRCHZEKSN-HSZRJFAPSA-N 1 1 461.513 3.275 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccccc3F)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001298881433 1064687631 /nfs/dbraw/zinc/68/76/31/1064687631.db2.gz FSWCUZCEUYOKFQ-NRFANRHFSA-N 1 1 455.500 3.243 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001298881897 1064688557 /nfs/dbraw/zinc/68/85/57/1064688557.db2.gz MSTDTAYLYNPSHI-RDPSFJRHSA-N 1 1 462.038 3.373 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001298881772 1064688657 /nfs/dbraw/zinc/68/86/57/1064688657.db2.gz KHQQFADAKNUJJO-BKMJKUGQSA-N 1 1 455.647 3.304 20 0 JGADMO CN(CCc1ccc(Br)cc1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298882818 1064689297 /nfs/dbraw/zinc/68/92/97/1064689297.db2.gz ZXBJUNUOEVHURE-QFIPXVFZSA-N 1 1 464.452 3.375 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001298882267 1064689447 /nfs/dbraw/zinc/68/94/47/1064689447.db2.gz TVYMHPIROAINOS-AUSIDOKSSA-N 1 1 492.462 3.274 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC001298882269 1064689496 /nfs/dbraw/zinc/68/94/96/1064689496.db2.gz TVYMHPIROAINOS-WMZHIEFXSA-N 1 1 492.462 3.274 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001298885662 1064692034 /nfs/dbraw/zinc/69/20/34/1064692034.db2.gz APHOIHFUQJWXPJ-KURKYZTESA-N 1 1 486.583 3.145 20 0 JGADMO CN(Cc1ccccc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298885580 1064692231 /nfs/dbraw/zinc/69/22/31/1064692231.db2.gz KVUOQZIXCJJWPR-CPJSRVTESA-N 1 1 470.618 3.053 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001298885664 1064692242 /nfs/dbraw/zinc/69/22/42/1064692242.db2.gz APHOIHFUQJWXPJ-SQNIBIBYSA-N 1 1 486.583 3.145 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001298885980 1064692848 /nfs/dbraw/zinc/69/28/48/1064692848.db2.gz CEZPBTKUNJTSKK-NJYVYQBISA-N 1 1 474.694 3.424 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886279 1064693805 /nfs/dbraw/zinc/69/38/05/1064693805.db2.gz DYHMMBUWVNZPIG-HXUWFJFHSA-N 1 1 475.037 3.156 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001298886772 1064694821 /nfs/dbraw/zinc/69/48/21/1064694821.db2.gz GMZWQIJLNKLZSM-KRWDZBQOSA-N 1 1 473.691 3.121 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001298887418 1064696668 /nfs/dbraw/zinc/69/66/68/1064696668.db2.gz JMYIQORJJGGFEO-SFHVURJKSA-N 1 1 493.578 3.072 20 0 JGADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)CC2)cc1 ZINC001298887775 1064697302 /nfs/dbraw/zinc/69/73/02/1064697302.db2.gz NEDSQQNDJWSIPX-RDPSFJRHSA-N 1 1 455.624 3.175 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001298888292 1064697830 /nfs/dbraw/zinc/69/78/30/1064697830.db2.gz NUOMQKVWVKBYSX-FXAWDEMLSA-N 1 1 475.037 3.333 20 0 JGADMO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCOC1 ZINC001298888699 1064698736 /nfs/dbraw/zinc/69/87/36/1064698736.db2.gz OIURIPVPPXEUOB-WCIQWLHISA-N 1 1 476.666 3.394 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC001298888914 1064698848 /nfs/dbraw/zinc/69/88/48/1064698848.db2.gz PQCMMUMBSUMMHU-ZTCOLXNVSA-N 1 1 457.640 3.467 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCCOc2ccc(F)cc2)CC1 ZINC001298890003 1064699258 /nfs/dbraw/zinc/69/92/58/1064699258.db2.gz YGJKLFXDEGGDKQ-QFIPXVFZSA-N 1 1 486.636 3.317 20 0 JGADMO C[N@H+]1CCN(CCn2c(C3CCCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897337 1064703343 /nfs/dbraw/zinc/70/33/43/1064703343.db2.gz MGPMPCYPMBIJMX-HXUWFJFHSA-N 1 1 475.682 3.065 20 0 JGADMO CN1CC[N@H+](CCn2c(C3CCCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897337 1064703354 /nfs/dbraw/zinc/70/33/54/1064703354.db2.gz MGPMPCYPMBIJMX-HXUWFJFHSA-N 1 1 475.682 3.065 20 0 JGADMO CN1CC[N@@H+](CCn2c(C3CCCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897337 1064703367 /nfs/dbraw/zinc/70/33/67/1064703367.db2.gz MGPMPCYPMBIJMX-HXUWFJFHSA-N 1 1 475.682 3.065 20 0 JGADMO C[N@H+]1CCN(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001298898908 1064704607 /nfs/dbraw/zinc/70/46/07/1064704607.db2.gz YGRLKDVGBMQCNA-GOSISDBHSA-N 1 1 486.970 3.392 20 0 JGADMO CN1CC[N@H+](CCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001298898908 1064704616 /nfs/dbraw/zinc/70/46/16/1064704616.db2.gz YGRLKDVGBMQCNA-GOSISDBHSA-N 1 1 486.970 3.392 20 0 JGADMO CN1CC[N@@H+](CCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001298898908 1064704629 /nfs/dbraw/zinc/70/46/29/1064704629.db2.gz YGRLKDVGBMQCNA-GOSISDBHSA-N 1 1 486.970 3.392 20 0 JGADMO CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CC2)C1 ZINC001298910891 1064712667 /nfs/dbraw/zinc/71/26/67/1064712667.db2.gz ZPNQMAGXXIITCE-XZOQPEGZSA-N 1 1 456.631 3.195 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001298914707 1064714171 /nfs/dbraw/zinc/71/41/71/1064714171.db2.gz CCBYHIRFHNJGNT-ZWKOTPCHSA-N 1 1 493.052 3.001 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001298914706 1064714213 /nfs/dbraw/zinc/71/42/13/1064714213.db2.gz CCBYHIRFHNJGNT-ROUUACIJSA-N 1 1 493.052 3.001 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001298917081 1064718452 /nfs/dbraw/zinc/71/84/52/1064718452.db2.gz TURVACCVPBRNBA-QAPCUYQASA-N 1 1 475.435 3.153 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001298921349 1064721609 /nfs/dbraw/zinc/72/16/09/1064721609.db2.gz KDVYJVGODBESAH-GOSISDBHSA-N 1 1 450.587 3.329 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001298928966 1064728365 /nfs/dbraw/zinc/72/83/65/1064728365.db2.gz VKFGQRAHQLHGPG-UHFFFAOYSA-N 1 1 454.619 3.181 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001298929039 1064728436 /nfs/dbraw/zinc/72/84/36/1064728436.db2.gz WKYAAOOGEPIJEI-UHFFFAOYSA-N 1 1 486.661 3.291 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001298967501 1064757813 /nfs/dbraw/zinc/75/78/13/1064757813.db2.gz ZSQAZVKNWPESEE-JKSUJKDBSA-N 1 1 475.435 3.010 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2OC)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001298970221 1064761446 /nfs/dbraw/zinc/76/14/46/1064761446.db2.gz NHRYAAZBXPLVJJ-RTBURBONSA-N 1 1 456.635 3.283 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2OC)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001298970220 1064761499 /nfs/dbraw/zinc/76/14/99/1064761499.db2.gz NHRYAAZBXPLVJJ-RBUKOAKNSA-N 1 1 456.635 3.283 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001298979716 1064766710 /nfs/dbraw/zinc/76/67/10/1064766710.db2.gz XDOZKHGGFBCVFD-RBUKOAKNSA-N 1 1 465.602 3.150 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001298986450 1064770369 /nfs/dbraw/zinc/77/03/69/1064770369.db2.gz XLZRMDBLESHNCG-DENIHFKCSA-N 1 1 468.646 3.175 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001298986461 1064770530 /nfs/dbraw/zinc/77/05/30/1064770530.db2.gz XLZRMDBLESHNCG-UGKGYDQZSA-N 1 1 468.646 3.175 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001299002156 1064780992 /nfs/dbraw/zinc/78/09/92/1064780992.db2.gz MUELPLMJOCWCQD-YADHBBJMSA-N 1 1 470.662 3.413 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001299002764 1064782270 /nfs/dbraw/zinc/78/22/70/1064782270.db2.gz NLDLJZUVSPNYCR-WOJBJXKFSA-N 1 1 458.676 3.429 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001299002726 1064782387 /nfs/dbraw/zinc/78/23/87/1064782387.db2.gz NAGOOXRGYUOFID-UNMCSNQZSA-N 1 1 468.646 3.309 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299006881 1064789328 /nfs/dbraw/zinc/78/93/28/1064789328.db2.gz PAVONFHRYBOGML-XMMPIXPASA-N 1 1 476.572 3.383 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299012013 1064795422 /nfs/dbraw/zinc/79/54/22/1064795422.db2.gz DSFDYAQYAUSSDT-OSPHWJPCSA-N 1 1 475.037 3.301 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299012012 1064795590 /nfs/dbraw/zinc/79/55/90/1064795590.db2.gz DSFDYAQYAUSSDT-MZNJEOGPSA-N 1 1 475.037 3.301 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299014962 1064797767 /nfs/dbraw/zinc/79/77/67/1064797767.db2.gz PASNHGJXMLHVLS-SRGWNRLKSA-N 1 1 493.027 3.199 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001299030854 1064817555 /nfs/dbraw/zinc/81/75/55/1064817555.db2.gz VOWNDHJWQAFANR-RLWLMLJZSA-N 1 1 452.647 3.494 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001299041656 1064832876 /nfs/dbraw/zinc/83/28/76/1064832876.db2.gz IHTQPIDHLKRRGL-UHFFFAOYSA-N 1 1 475.641 3.382 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001299041672 1064832920 /nfs/dbraw/zinc/83/29/20/1064832920.db2.gz VEOSMTIXMWICGT-XMERXJNXSA-N 1 1 474.694 3.281 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299042171 1064834453 /nfs/dbraw/zinc/83/44/53/1064834453.db2.gz YSLIHLRAEHJIQF-FHAGJXEFSA-N 1 1 460.667 3.034 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001299084421 1064888121 /nfs/dbraw/zinc/88/81/21/1064888121.db2.gz AQTFUHAXUVWDLP-JOCHJYFZSA-N 1 1 495.697 3.485 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299086285 1064891589 /nfs/dbraw/zinc/89/15/89/1064891589.db2.gz OWPINOSDDGNWCH-FGZHOGPDSA-N 1 1 470.637 3.338 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCn2cc[nH+]c2C)C1 ZINC001299091078 1064896708 /nfs/dbraw/zinc/89/67/08/1064896708.db2.gz XDBNJBBDRGCISR-FQEVSTJZSA-N 1 1 470.021 3.470 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCn2cc[nH+]c2C)C1 ZINC001299091088 1064896764 /nfs/dbraw/zinc/89/67/64/1064896764.db2.gz XDBNJBBDRGCISR-HXUWFJFHSA-N 1 1 470.021 3.470 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001299101903 1064910836 /nfs/dbraw/zinc/91/08/36/1064910836.db2.gz ZBUSQMQRUBVCHP-ROUUACIJSA-N 1 1 472.659 3.024 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@@H+](C)CCOC)CC1 ZINC001299108714 1064915967 /nfs/dbraw/zinc/91/59/67/1064915967.db2.gz FUMBQHGVIUSGOU-UHFFFAOYSA-N 1 1 483.444 3.183 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001299108909 1064916689 /nfs/dbraw/zinc/91/66/89/1064916689.db2.gz ASFAYQOUEBEDRJ-GOSISDBHSA-N 1 1 450.587 3.329 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001299119110 1064927728 /nfs/dbraw/zinc/92/77/28/1064927728.db2.gz VSXXGZXRCIOOLV-LJQANCHMSA-N 1 1 456.610 3.091 20 0 JGADMO COc1ccc(NC(=O)COc2ccc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2OC)cc1 ZINC001299126912 1064933887 /nfs/dbraw/zinc/93/38/87/1064933887.db2.gz OZZRYYRHGVYBMK-GOSISDBHSA-N 1 1 455.555 3.183 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001299127719 1064934465 /nfs/dbraw/zinc/93/44/65/1064934465.db2.gz HUVRGGPWXFQSAW-PUHATCMVSA-N 1 1 498.672 3.107 20 0 JGADMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001299127960 1064935219 /nfs/dbraw/zinc/93/52/19/1064935219.db2.gz WYPAEGUHKNBRKK-IBGZPJMESA-N 1 1 459.612 3.290 20 0 JGADMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001299127961 1064935281 /nfs/dbraw/zinc/93/52/81/1064935281.db2.gz WYPAEGUHKNBRKK-LJQANCHMSA-N 1 1 459.612 3.290 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001299772186 1064970702 /nfs/dbraw/zinc/97/07/02/1064970702.db2.gz DPBGLVSKHIZNJK-XMMPIXPASA-N 1 1 461.582 3.112 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001299772186 1064970713 /nfs/dbraw/zinc/97/07/13/1064970713.db2.gz DPBGLVSKHIZNJK-XMMPIXPASA-N 1 1 461.582 3.112 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001299773030 1064972574 /nfs/dbraw/zinc/97/25/74/1064972574.db2.gz LMSJXVWETWRTPJ-OFVILXPXSA-N 1 1 457.619 3.018 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001299773340 1064973236 /nfs/dbraw/zinc/97/32/36/1064973236.db2.gz AJPRYCZOLUNTAB-NOTUOJBMSA-N 1 1 490.737 3.476 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299779454 1064978549 /nfs/dbraw/zinc/97/85/49/1064978549.db2.gz KFTRBWHCLMMRLA-IBGZPJMESA-N 1 1 478.435 3.290 20 0 JGADMO COC1(C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001299784499 1064981663 /nfs/dbraw/zinc/98/16/63/1064981663.db2.gz KIJIOCRGQZFISK-WOJBJXKFSA-N 1 1 492.665 3.076 20 0 JGADMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001299789066 1064985522 /nfs/dbraw/zinc/98/55/22/1064985522.db2.gz HXFPSUJSZKDSGX-QFIPXVFZSA-N 1 1 452.020 3.210 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001299789093 1064985617 /nfs/dbraw/zinc/98/56/17/1064985617.db2.gz IPMOCPLPKSFXGB-QHCPKHFHSA-N 1 1 455.624 3.175 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001299789093 1064985624 /nfs/dbraw/zinc/98/56/24/1064985624.db2.gz IPMOCPLPKSFXGB-QHCPKHFHSA-N 1 1 455.624 3.175 20 0 JGADMO COC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CCC(C)CC1 ZINC001299809879 1065005191 /nfs/dbraw/zinc/00/51/91/1065005191.db2.gz SRXJZRORCRZZFG-YAQMXYOYSA-N 1 1 495.734 3.332 20 0 JGADMO CC(C)N(C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001299817962 1065011967 /nfs/dbraw/zinc/01/19/67/1065011967.db2.gz JKUBIXKQENKELQ-GFJKYASSSA-N 1 1 456.608 3.467 20 0 JGADMO COc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001299834972 1065026613 /nfs/dbraw/zinc/02/66/13/1065026613.db2.gz SIIILGYPFIDCLY-IBGZPJMESA-N 1 1 470.666 3.346 20 0 JGADMO COc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299836521 1065028658 /nfs/dbraw/zinc/02/86/58/1065028658.db2.gz FDHZILYLMLBHEH-INIZCTEOSA-N 1 1 471.524 3.460 20 0 JGADMO COc1cc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@H](C)[N@@H+](C)C2CC2)cc(OC)c1OC ZINC001299836982 1065029531 /nfs/dbraw/zinc/02/95/31/1065029531.db2.gz OZGAPKIXXQIAMH-YJBOKZPZSA-N 1 1 461.632 3.395 20 0 JGADMO COc1cc(-c2nnc(N(C)Cc3cnn(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)ccc1OC(C)C ZINC001299837291 1065030659 /nfs/dbraw/zinc/03/06/59/1065030659.db2.gz OVSZLAZQJMZAKV-LJQANCHMSA-N 1 1 497.644 3.140 20 0 JGADMO COc1cc(-c2nnc(N(C)Cc3cnn(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)ccc1OC(C)C ZINC001299837291 1065030671 /nfs/dbraw/zinc/03/06/71/1065030671.db2.gz OVSZLAZQJMZAKV-LJQANCHMSA-N 1 1 497.644 3.140 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299840462 1065034324 /nfs/dbraw/zinc/03/43/24/1065034324.db2.gz PZTMYVZHGXHILX-WOJBJXKFSA-N 1 1 485.629 3.484 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2C[C@H]2C)cc(OC)c1OC ZINC001299841511 1065037787 /nfs/dbraw/zinc/03/77/87/1065037787.db2.gz WLEWFSIIZYTXKP-FTEYMNFISA-N 1 1 473.618 3.172 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2C[C@H]2C)cc(OC)c1OC ZINC001299841511 1065037800 /nfs/dbraw/zinc/03/78/00/1065037800.db2.gz WLEWFSIIZYTXKP-FTEYMNFISA-N 1 1 473.618 3.172 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299841534 1065038179 /nfs/dbraw/zinc/03/81/79/1065038179.db2.gz WXPINIPEQFHPQN-UNMCSNQZSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299845019 1065044855 /nfs/dbraw/zinc/04/48/55/1065044855.db2.gz XIUMSYNHTGFAKK-SFHLNBCPSA-N 1 1 487.645 3.300 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CC[N@@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299847751 1065049790 /nfs/dbraw/zinc/04/97/90/1065049790.db2.gz COIVZNVFUHXGBT-ZWKOTPCHSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CC[N@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299847751 1065049797 /nfs/dbraw/zinc/04/97/97/1065049797.db2.gz COIVZNVFUHXGBT-ZWKOTPCHSA-N 1 1 473.618 3.316 20 0 JGADMO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](CCO)c3cccc(OC(F)(F)F)c3)s2)CC1 ZINC001299854362 1065061883 /nfs/dbraw/zinc/06/18/83/1065061883.db2.gz BDIRMUXNJSIBGM-GOSISDBHSA-N 1 1 457.518 3.248 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2nncn2C)ccc1OC(C)C ZINC001299855487 1065064515 /nfs/dbraw/zinc/06/45/15/1065064515.db2.gz VPXZIIWDGLFMFC-UHFFFAOYSA-N 1 1 482.633 3.228 20 0 JGADMO COc1cc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)ccc1OC(C)C ZINC001299858505 1065070436 /nfs/dbraw/zinc/07/04/36/1065070436.db2.gz PIGRBDYBKZKRLS-UHFFFAOYSA-N 1 1 484.645 3.141 20 0 JGADMO COc1cc(CCn2c(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)ccc1C ZINC001299866991 1065084857 /nfs/dbraw/zinc/08/48/57/1065084857.db2.gz DMCPLWHFORJNPA-DEOSSOPVSA-N 1 1 498.716 3.367 20 0 JGADMO COc1cc(CCn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1C ZINC001299867876 1065085723 /nfs/dbraw/zinc/08/57/23/1065085723.db2.gz ZYBIPWWOLUTZNP-UHFFFAOYSA-N 1 1 478.641 3.371 20 0 JGADMO COc1cc(CCn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1C ZINC001299867876 1065085734 /nfs/dbraw/zinc/08/57/34/1065085734.db2.gz ZYBIPWWOLUTZNP-UHFFFAOYSA-N 1 1 478.641 3.371 20 0 JGADMO COc1cc(CN(C)c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc(OC)c1 ZINC001299869234 1065086504 /nfs/dbraw/zinc/08/65/04/1065086504.db2.gz BSWVBIPTNAABLD-QFIPXVFZSA-N 1 1 486.661 3.172 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CC=CCC2)ccc1OC(F)F ZINC001299870684 1065088377 /nfs/dbraw/zinc/08/83/77/1065088377.db2.gz AXXIEYOZAVPCBS-UHFFFAOYSA-N 1 1 473.528 3.187 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc(OC)c1 ZINC001299871057 1065088906 /nfs/dbraw/zinc/08/89/06/1065088906.db2.gz GGORAGAXQBXDMW-JOCHJYFZSA-N 1 1 468.602 3.284 20 0 JGADMO COc1cc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1 ZINC001299873334 1065093659 /nfs/dbraw/zinc/09/36/59/1065093659.db2.gz NXSWBRVLGZXRRV-RZUBCFFCSA-N 1 1 487.645 3.325 20 0 JGADMO COc1cc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CC[N@@H+](C)C2)ccc1SC ZINC001299876699 1065095687 /nfs/dbraw/zinc/09/56/87/1065095687.db2.gz LIDHCLSOHQPMMP-HSZRJFAPSA-N 1 1 488.683 3.067 20 0 JGADMO COc1cc(CN(c2nnc(C)n2C[C@@H](C)[NH+]2CCOCC2)C2CC2)ccc1OC(F)F ZINC001299880584 1065101373 /nfs/dbraw/zinc/10/13/73/1065101373.db2.gz IZHJDWVNBKHPLC-OAHLLOKOSA-N 1 1 451.518 3.086 20 0 JGADMO COc1cc(Cn2c(CC(C)C)nnc2N2CC[C@@](C)([NH+]3CCOCC3)C2)cc(Cl)c1OC ZINC001299886264 1065110426 /nfs/dbraw/zinc/11/04/26/1065110426.db2.gz QJTBDWADEJRNPI-XMMPIXPASA-N 1 1 478.037 3.497 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)C)n3CCc3cccnc3)CC2)cc(OC)c1 ZINC001299891650 1065120583 /nfs/dbraw/zinc/12/05/83/1065120583.db2.gz BABRJMKFJKFWME-UHFFFAOYSA-N 1 1 450.587 3.379 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC2)cc(OC)c1 ZINC001299892991 1065122029 /nfs/dbraw/zinc/12/20/29/1065122029.db2.gz PDMJAKRVMIGJDT-GOSISDBHSA-N 1 1 488.633 3.181 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCc2cnccn2)n1CCn1cc[nH+]c1C ZINC001299895748 1065128543 /nfs/dbraw/zinc/12/85/43/1065128543.db2.gz LRQSZJPRSLCXAP-UHFFFAOYSA-N 1 1 452.950 3.281 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1nnc(C)s1 ZINC001299898069 1065132591 /nfs/dbraw/zinc/13/25/91/1065132591.db2.gz LIXHWBARWUZSDJ-UHFFFAOYSA-N 1 1 492.049 3.362 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1nnc(C)s1 ZINC001299898069 1065132597 /nfs/dbraw/zinc/13/25/97/1065132597.db2.gz LIXHWBARWUZSDJ-UHFFFAOYSA-N 1 1 492.049 3.362 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCOC1 ZINC001299899173 1065134636 /nfs/dbraw/zinc/13/46/36/1065134636.db2.gz ZIFLHZQYYCKLQO-KSZLIROESA-N 1 1 464.010 3.189 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCOC1 ZINC001299899173 1065134641 /nfs/dbraw/zinc/13/46/41/1065134641.db2.gz ZIFLHZQYYCKLQO-KSZLIROESA-N 1 1 464.010 3.189 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001299900655 1065136083 /nfs/dbraw/zinc/13/60/83/1065136083.db2.gz DSCWHRRRQKHRKK-QZTJIDSGSA-N 1 1 475.037 3.287 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCCn1cc[nH+]c1C ZINC001299903699 1065142405 /nfs/dbraw/zinc/14/24/05/1065142405.db2.gz IMSMIQZGUOVQCA-KRWDZBQOSA-N 1 1 471.993 3.294 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCCn1cc[nH+]c1C ZINC001299906274 1065147495 /nfs/dbraw/zinc/14/74/95/1065147495.db2.gz NFHKFHDUQBAVSE-IBGZPJMESA-N 1 1 471.993 3.307 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC[N@@H+](C)C(C)C ZINC001299909060 1065155018 /nfs/dbraw/zinc/15/50/18/1065155018.db2.gz MCWKCUQIFUPLGZ-UHFFFAOYSA-N 1 1 488.999 3.203 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001299913255 1065164714 /nfs/dbraw/zinc/16/47/14/1065164714.db2.gz VNFTUTPYLAFMGZ-CALCHBBNSA-N 1 1 464.010 3.332 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001299913255 1065164721 /nfs/dbraw/zinc/16/47/21/1065164721.db2.gz VNFTUTPYLAFMGZ-CALCHBBNSA-N 1 1 464.010 3.332 20 0 JGADMO COc1cc(N(C)c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299922365 1065176170 /nfs/dbraw/zinc/17/61/70/1065176170.db2.gz HNCZLMDLSIMSCH-UHFFFAOYSA-N 1 1 470.574 3.178 20 0 JGADMO COc1cc(N(C)c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299922365 1065176174 /nfs/dbraw/zinc/17/61/74/1065176174.db2.gz HNCZLMDLSIMSCH-UHFFFAOYSA-N 1 1 470.574 3.178 20 0 JGADMO COc1cc(N(C)c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC001299922681 1065176691 /nfs/dbraw/zinc/17/66/91/1065176691.db2.gz QUIYSZOUAMDGMQ-WSTZPKSXSA-N 1 1 489.617 3.423 20 0 JGADMO COc1cc(N2CCN(c3nnc(Cc4csc(C)n4)n3CC[N@@H+](C)C(C)C)CC2)ccc1F ZINC001299923481 1065177905 /nfs/dbraw/zinc/17/79/05/1065177905.db2.gz XWZYWABCXJHPNK-UHFFFAOYSA-N 1 1 487.649 3.448 20 0 JGADMO COc1cc(OC)c(CCn2c(CC(C)C)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(OC)c1 ZINC001299925643 1065184683 /nfs/dbraw/zinc/18/46/83/1065184683.db2.gz UGFDECGISJVASU-OALUTQOASA-N 1 1 457.619 3.418 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001299927943 1065189777 /nfs/dbraw/zinc/18/97/77/1065189777.db2.gz KALNBAGNGUODPC-UHFFFAOYSA-N 1 1 472.634 3.188 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2ccco2)c1 ZINC001299931470 1065195737 /nfs/dbraw/zinc/19/57/37/1065195737.db2.gz AZGNUAQIKBHNPF-UHFFFAOYSA-N 1 1 455.559 3.151 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2ccco2)c1 ZINC001299931470 1065195746 /nfs/dbraw/zinc/19/57/46/1065195746.db2.gz AZGNUAQIKBHNPF-UHFFFAOYSA-N 1 1 455.559 3.151 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCOC(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001299931849 1065196413 /nfs/dbraw/zinc/19/64/13/1065196413.db2.gz HJRJFJAXWINNFO-UHFFFAOYSA-N 1 1 488.677 3.240 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299931849 1065196420 /nfs/dbraw/zinc/19/64/20/1065196420.db2.gz HJRJFJAXWINNFO-UHFFFAOYSA-N 1 1 488.677 3.240 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCOC(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299931849 1065196425 /nfs/dbraw/zinc/19/64/25/1065196425.db2.gz HJRJFJAXWINNFO-UHFFFAOYSA-N 1 1 488.677 3.240 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001299934294 1065201462 /nfs/dbraw/zinc/20/14/62/1065201462.db2.gz RZIKNBWVWNDMOZ-RTBURBONSA-N 1 1 456.635 3.081 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299934294 1065201477 /nfs/dbraw/zinc/20/14/77/1065201477.db2.gz RZIKNBWVWNDMOZ-RTBURBONSA-N 1 1 456.635 3.081 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299934294 1065201493 /nfs/dbraw/zinc/20/14/93/1065201493.db2.gz RZIKNBWVWNDMOZ-RTBURBONSA-N 1 1 456.635 3.081 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299936738 1065204188 /nfs/dbraw/zinc/20/41/88/1065204188.db2.gz ORMOSMJWZWDIAW-SFHVURJKSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299936738 1065204197 /nfs/dbraw/zinc/20/41/97/1065204197.db2.gz ORMOSMJWZWDIAW-SFHVURJKSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299939251 1065208657 /nfs/dbraw/zinc/20/86/57/1065208657.db2.gz PTPFFLPODOMPPA-HFJWLAOPSA-N 1 1 484.645 3.175 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299941778 1065211402 /nfs/dbraw/zinc/21/14/02/1065211402.db2.gz LDDZAZZSHKRCJX-NRFANRHFSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299941778 1065211415 /nfs/dbraw/zinc/21/14/15/1065211415.db2.gz LDDZAZZSHKRCJX-NRFANRHFSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001299949498 1065223882 /nfs/dbraw/zinc/22/38/82/1065223882.db2.gz DWPRCVGSVORJAO-UHFFFAOYSA-N 1 1 496.612 3.248 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001299951167 1065227864 /nfs/dbraw/zinc/22/78/64/1065227864.db2.gz QQJCRHXCPKDXOX-CTNGQTDRSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCCCn2cc[nH+]c2C)c1 ZINC001299954099 1065234995 /nfs/dbraw/zinc/23/49/95/1065234995.db2.gz WEKXUAHJVHNMSH-VGSWGCGISA-N 1 1 454.575 3.155 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299957963 1065236365 /nfs/dbraw/zinc/23/63/65/1065236365.db2.gz MWNPJUUGMOEXHA-UHFFFAOYSA-N 1 1 452.559 3.236 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(-c3ccccn3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299957963 1065236379 /nfs/dbraw/zinc/23/63/79/1065236379.db2.gz MWNPJUUGMOEXHA-UHFFFAOYSA-N 1 1 452.559 3.236 20 0 JGADMO COc1cc2c(cc1OC)CCN(c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C)CC2 ZINC001299965060 1065248060 /nfs/dbraw/zinc/24/80/60/1065248060.db2.gz XZENQDJMWVPKHD-UHFFFAOYSA-N 1 1 471.646 3.309 20 0 JGADMO COc1cc2c(cc1OC)CCN(c1nnc(C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C)CC2 ZINC001299965060 1065248070 /nfs/dbraw/zinc/24/80/70/1065248070.db2.gz XZENQDJMWVPKHD-UHFFFAOYSA-N 1 1 471.646 3.309 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CC(F)(F)F)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001299968178 1065251389 /nfs/dbraw/zinc/25/13/89/1065251389.db2.gz CJJYRFQOIYBNSG-CYBMUJFWSA-N 1 1 492.340 3.435 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CC(F)(F)F)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001299968178 1065251396 /nfs/dbraw/zinc/25/13/96/1065251396.db2.gz CJJYRFQOIYBNSG-CYBMUJFWSA-N 1 1 492.340 3.435 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CCn3cccn3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299969757 1065256264 /nfs/dbraw/zinc/25/62/64/1065256264.db2.gz XUVLDIREJNSIET-UHFFFAOYSA-N 1 1 476.423 3.389 20 0 JGADMO COc1ccc(C)cc1CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001299987605 1065289650 /nfs/dbraw/zinc/28/96/50/1065289650.db2.gz DDEHLDIXACBVDJ-UHFFFAOYSA-N 1 1 456.635 3.287 20 0 JGADMO COc1ccc([C@@H](Cn2c(N(C)[C@@H]3CCS(=O)(=O)C3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001299988489 1065292077 /nfs/dbraw/zinc/29/20/77/1065292077.db2.gz OFOSKGUCPKBTAY-TZIWHRDSSA-N 1 1 475.659 3.045 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCC(=O)N(C)C)CC1 ZINC001299990204 1065293063 /nfs/dbraw/zinc/29/30/63/1065293063.db2.gz FGXDHWBNZGZRKF-UHFFFAOYSA-N 1 1 491.640 3.156 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001299990248 1065293939 /nfs/dbraw/zinc/29/39/39/1065293939.db2.gz FSRDKSIEAMKBCV-FCHUYYIVSA-N 1 1 471.646 3.046 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)c(OC)c1 ZINC001299996101 1065304378 /nfs/dbraw/zinc/30/43/78/1065304378.db2.gz DVILGOPUGFHFJU-UHFFFAOYSA-N 1 1 472.634 3.188 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001492216217 1065326987 /nfs/dbraw/zinc/32/69/87/1065326987.db2.gz CDDVINXCBDLHHS-QFIPXVFZSA-N 1 1 452.578 3.195 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC[N@H+](C)C(C)C)CC2=O)cc1 ZINC001492229513 1065331648 /nfs/dbraw/zinc/33/16/48/1065331648.db2.gz DMWJQUCVPSLVRH-UHFFFAOYSA-N 1 1 468.005 3.495 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cscn3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001492238484 1065332410 /nfs/dbraw/zinc/33/24/10/1065332410.db2.gz RBJDJFDDJHDEMF-OAQYLSRUSA-N 1 1 483.642 3.087 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001492238488 1065334260 /nfs/dbraw/zinc/33/42/60/1065334260.db2.gz RCOFNRKXHOFZNV-SFHVURJKSA-N 1 1 464.618 3.249 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCCO2)cc1C ZINC001492240411 1065338736 /nfs/dbraw/zinc/33/87/36/1065338736.db2.gz LCZXMXBWZHTEPP-XJUOHMSHSA-N 1 1 484.645 3.262 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCCO2)cc1C ZINC001492240411 1065338744 /nfs/dbraw/zinc/33/87/44/1065338744.db2.gz LCZXMXBWZHTEPP-XJUOHMSHSA-N 1 1 484.645 3.262 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCOCC(F)F)cc1C ZINC001492246193 1065345272 /nfs/dbraw/zinc/34/52/72/1065345272.db2.gz CKSLVGRKHGWVFB-AZUAARDMSA-N 1 1 476.572 3.492 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCC(C)C)cc1C ZINC001492247300 1065346502 /nfs/dbraw/zinc/34/65/02/1065346502.db2.gz MXIFLVNNGMLLOV-VWLOTQADSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001492250715 1065350520 /nfs/dbraw/zinc/35/05/20/1065350520.db2.gz QAFPJQKRZMSDAS-DWLFOUALSA-N 1 1 454.619 3.229 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CC(F)(F)CO2)cc1C ZINC001492265993 1065360145 /nfs/dbraw/zinc/36/01/45/1065360145.db2.gz MENJGJOHOYJYJD-HXUWFJFHSA-N 1 1 476.572 3.492 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)C2)nc1 ZINC001492276266 1065370323 /nfs/dbraw/zinc/37/03/23/1065370323.db2.gz NWQSAUNRDIGLEM-YADHBBJMSA-N 1 1 497.688 3.371 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492287063 1065379249 /nfs/dbraw/zinc/37/92/49/1065379249.db2.gz AGTYSCFRAYAKPV-NRFANRHFSA-N 1 1 461.614 3.379 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001492325873 1065398161 /nfs/dbraw/zinc/39/81/61/1065398161.db2.gz UBOKRJGVUNZREP-UHFFFAOYSA-N 1 1 454.575 3.209 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001492325873 1065398167 /nfs/dbraw/zinc/39/81/67/1065398167.db2.gz UBOKRJGVUNZREP-UHFFFAOYSA-N 1 1 454.575 3.209 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001492339527 1065407523 /nfs/dbraw/zinc/40/75/23/1065407523.db2.gz OOCJKBIXNVYJMB-FCHUYYIVSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492339896 1065408349 /nfs/dbraw/zinc/40/83/49/1065408349.db2.gz WRVYMVVXEOXSSJ-PKTZIBPZSA-N 1 1 457.619 3.138 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492391015 1065414885 /nfs/dbraw/zinc/41/48/85/1065414885.db2.gz JNLPAPZEPNACIN-HXUWFJFHSA-N 1 1 470.618 3.365 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001492367359 1065427192 /nfs/dbraw/zinc/42/71/92/1065427192.db2.gz BSTKJGIZHMULQK-QFIPXVFZSA-N 1 1 476.419 3.029 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492370828 1065433534 /nfs/dbraw/zinc/43/35/34/1065433534.db2.gz LZHXXOOWCHQVGE-XPNTWCBSSA-N 1 1 489.686 3.299 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492370825 1065433553 /nfs/dbraw/zinc/43/35/53/1065433553.db2.gz LZHXXOOWCHQVGE-XJUOHMSHSA-N 1 1 489.686 3.299 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372416 1065438016 /nfs/dbraw/zinc/43/80/16/1065438016.db2.gz ZQZHCDZIGSIXPT-FCHUYYIVSA-N 1 1 489.686 3.301 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCn2ccnn2)cc1 ZINC001492377896 1065442300 /nfs/dbraw/zinc/44/23/00/1065442300.db2.gz YERCMIQUXBVULL-UHFFFAOYSA-N 1 1 452.607 3.158 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001492341114 1065457164 /nfs/dbraw/zinc/45/71/64/1065457164.db2.gz ZUEFEVNZUIUEDK-FQEVSTJZSA-N 1 1 457.619 3.280 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001492341114 1065457173 /nfs/dbraw/zinc/45/71/73/1065457173.db2.gz ZUEFEVNZUIUEDK-FQEVSTJZSA-N 1 1 457.619 3.280 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001492407572 1065474280 /nfs/dbraw/zinc/47/42/80/1065474280.db2.gz HVBPGJJOZNHCAP-VSKRKVRLSA-N 1 1 457.619 3.280 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492435775 1065489869 /nfs/dbraw/zinc/48/98/69/1065489869.db2.gz ALKWZDKFRDDWHB-RBBKRZOGSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1C ZINC001492391515 1065498362 /nfs/dbraw/zinc/49/83/62/1065498362.db2.gz UFSPIRABIGXEPY-QFIPXVFZSA-N 1 1 468.646 3.168 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001492455905 1065505515 /nfs/dbraw/zinc/50/55/15/1065505515.db2.gz DWTSLLDWARCRAZ-ICSRJNTNSA-N 1 1 456.660 3.311 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1(C)C ZINC001300841227 1065579821 /nfs/dbraw/zinc/57/98/21/1065579821.db2.gz HLWQFMSWTAGGHC-PKTZIBPZSA-N 1 1 471.646 3.384 20 0 JGADMO CO[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1(C)C ZINC001300842209 1065580175 /nfs/dbraw/zinc/58/01/75/1065580175.db2.gz RHQSWWRZHJPODY-UXHICEINSA-N 1 1 475.037 3.218 20 0 JGADMO CO[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1(C)C ZINC001300842208 1065580368 /nfs/dbraw/zinc/58/03/68/1065580368.db2.gz RHQSWWRZHJPODY-PMACEKPBSA-N 1 1 475.037 3.218 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC[C@H]1C ZINC001300843323 1065582018 /nfs/dbraw/zinc/58/20/18/1065582018.db2.gz PUYRJRAVODZXSK-QHAWAJNXSA-N 1 1 488.702 3.499 20 0 JGADMO CO[C@H]1COCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300855021 1065603337 /nfs/dbraw/zinc/60/33/37/1065603337.db2.gz BOUFRYIFCVMXHW-GGAORHGYSA-N 1 1 471.646 3.100 20 0 JGADMO CO[C@H]1COCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300871419 1065643716 /nfs/dbraw/zinc/64/37/16/1065643716.db2.gz LSDXEZOZSLUVNL-VWNXMTODSA-N 1 1 471.646 3.446 20 0 JGADMO CO[C@@H]1COCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300871414 1065643809 /nfs/dbraw/zinc/64/38/09/1065643809.db2.gz LSDXEZOZSLUVNL-LADGPHEKSA-N 1 1 471.646 3.446 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001300903021 1065700282 /nfs/dbraw/zinc/70/02/82/1065700282.db2.gz ANVQSFVWJZDUJO-GOSISDBHSA-N 1 1 475.037 3.062 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@@H+](C)C(C)C)CC1 ZINC001300904187 1065702659 /nfs/dbraw/zinc/70/26/59/1065702659.db2.gz ILSPGMBKLURKJD-GOSISDBHSA-N 1 1 488.702 3.203 20 0 JGADMO COCC(C)(C)CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001300927160 1065726245 /nfs/dbraw/zinc/72/62/45/1065726245.db2.gz QTUNQXDLVFOEOC-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC(C)(C)CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001300927160 1065726259 /nfs/dbraw/zinc/72/62/59/1065726259.db2.gz QTUNQXDLVFOEOC-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001300941645 1065743435 /nfs/dbraw/zinc/74/34/35/1065743435.db2.gz FKPJZGXOQGFSND-OAQYLSRUSA-N 1 1 487.645 3.184 20 0 JGADMO COC[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300969137 1065777739 /nfs/dbraw/zinc/77/77/39/1065777739.db2.gz RLEPZACNZFJKMD-SESVDKBCSA-N 1 1 456.635 3.257 20 0 JGADMO COC[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300969344 1065778588 /nfs/dbraw/zinc/77/85/88/1065778588.db2.gz UBICQOURXZBMCR-GOSISDBHSA-N 1 1 467.618 3.433 20 0 JGADMO COC[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300976735 1065786840 /nfs/dbraw/zinc/78/68/40/1065786840.db2.gz UXHLWKMNEFNEJC-GBESFXJTSA-N 1 1 450.027 3.350 20 0 JGADMO COC[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300976735 1065786849 /nfs/dbraw/zinc/78/68/49/1065786849.db2.gz UXHLWKMNEFNEJC-GBESFXJTSA-N 1 1 450.027 3.350 20 0 JGADMO COC[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001300992493 1065809192 /nfs/dbraw/zinc/80/91/92/1065809192.db2.gz OGCNBBBIMSELJC-AABGKKOBSA-N 1 1 462.639 3.307 20 0 JGADMO COC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001301002308 1065828277 /nfs/dbraw/zinc/82/82/77/1065828277.db2.gz YCQKKQANOXNIGH-XZOYJPPVSA-N 1 1 494.036 3.034 20 0 JGADMO COC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)OC ZINC001301003841 1065833329 /nfs/dbraw/zinc/83/33/29/1065833329.db2.gz OKIDOAJRDBEQED-JOCHJYFZSA-N 1 1 473.662 3.451 20 0 JGADMO COC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)OC ZINC001301003841 1065833339 /nfs/dbraw/zinc/83/33/39/1065833339.db2.gz OKIDOAJRDBEQED-JOCHJYFZSA-N 1 1 473.662 3.451 20 0 JGADMO COC[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301008461 1065838690 /nfs/dbraw/zinc/83/86/90/1065838690.db2.gz RIVLBTBULDAXJR-SBHAEUEKSA-N 1 1 476.666 3.348 20 0 JGADMO COC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC ZINC001301015730 1065849647 /nfs/dbraw/zinc/84/96/47/1065849647.db2.gz XCGYXICQCABZIM-IBGZPJMESA-N 1 1 454.619 3.409 20 0 JGADMO COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC001301022698 1065857664 /nfs/dbraw/zinc/85/76/64/1065857664.db2.gz FIXACNPTXUAMNX-PMVMPFDFSA-N 1 1 456.635 3.016 20 0 JGADMO COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC001301022702 1065857962 /nfs/dbraw/zinc/85/79/62/1065857962.db2.gz FIXACNPTXUAMNX-WWNPGLIZSA-N 1 1 456.635 3.016 20 0 JGADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001301031873 1065872641 /nfs/dbraw/zinc/87/26/41/1065872641.db2.gz NZDMWLSYCUGVGJ-UXHICEINSA-N 1 1 454.546 3.469 20 0 JGADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001301031873 1065872663 /nfs/dbraw/zinc/87/26/63/1065872663.db2.gz NZDMWLSYCUGVGJ-UXHICEINSA-N 1 1 454.546 3.469 20 0 JGADMO COC[C@@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301036267 1065878254 /nfs/dbraw/zinc/87/82/54/1065878254.db2.gz CLQHAYSECOROME-PXNSSMCTSA-N 1 1 493.027 3.157 20 0 JGADMO COC[C@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301036265 1065878333 /nfs/dbraw/zinc/87/83/33/1065878333.db2.gz CLQHAYSECOROME-FXAWDEMLSA-N 1 1 493.027 3.157 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccccc2Br)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301052005 1065899952 /nfs/dbraw/zinc/89/99/52/1065899952.db2.gz AWJGIGLCADLKAV-BBWFWOEESA-N 1 1 484.414 3.238 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccccc2Br)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301052005 1065899973 /nfs/dbraw/zinc/89/99/73/1065899973.db2.gz AWJGIGLCADLKAV-BBWFWOEESA-N 1 1 484.414 3.238 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301052288 1065900625 /nfs/dbraw/zinc/90/06/25/1065900625.db2.gz CECSVAHUGPKLDX-IBGZPJMESA-N 1 1 456.566 3.025 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301052288 1065900635 /nfs/dbraw/zinc/90/06/35/1065900635.db2.gz CECSVAHUGPKLDX-IBGZPJMESA-N 1 1 456.566 3.025 20 0 JGADMO COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001301077305 1065926813 /nfs/dbraw/zinc/92/68/13/1065926813.db2.gz QKNBGTVNARFAPE-SLFFLAALSA-N 1 1 492.665 3.345 20 0 JGADMO COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001301077507 1065926835 /nfs/dbraw/zinc/92/68/35/1065926835.db2.gz QKNBGTVNARFAPE-XUVXKRRUSA-N 1 1 492.665 3.345 20 0 JGADMO COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001301077304 1065926982 /nfs/dbraw/zinc/92/69/82/1065926982.db2.gz QKNBGTVNARFAPE-HSALFYBXSA-N 1 1 492.665 3.345 20 0 JGADMO COC[C@H](F)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001301082485 1065932960 /nfs/dbraw/zinc/93/29/60/1065932960.db2.gz ISPTUJNJKWMGPO-ZVDOUQERSA-N 1 1 463.623 3.020 20 0 JGADMO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC001301104055 1065950342 /nfs/dbraw/zinc/95/03/42/1065950342.db2.gz AIQQOGPNFLYAPS-APYJYERMSA-N 1 1 456.608 3.325 20 0 JGADMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC001301104055 1065950352 /nfs/dbraw/zinc/95/03/52/1065950352.db2.gz AIQQOGPNFLYAPS-APYJYERMSA-N 1 1 456.608 3.325 20 0 JGADMO COCC1(CCn2c(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)nnc2C(C)(C)C)CCC1 ZINC001301117243 1065960776 /nfs/dbraw/zinc/96/07/76/1065960776.db2.gz RAOAVOLBSNKYGR-UHFFFAOYSA-N 1 1 457.667 3.455 20 0 JGADMO COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC001301124950 1065966575 /nfs/dbraw/zinc/96/65/75/1065966575.db2.gz KTQUGQDJPSMCOF-RTWAWAEBSA-N 1 1 460.667 3.324 20 0 JGADMO COCC1(Cn2c(C(C)C)nnc2N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)CCOCC1 ZINC001301126809 1065969543 /nfs/dbraw/zinc/96/95/43/1065969543.db2.gz YPWSVMVKVSMYPN-UHFFFAOYSA-N 1 1 487.645 3.184 20 0 JGADMO COCc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001301165573 1066001583 /nfs/dbraw/zinc/00/15/83/1066001583.db2.gz YPUZZOYKDSOTNM-OYRHEFFESA-N 1 1 464.614 3.004 20 0 JGADMO COCc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001301165573 1066001593 /nfs/dbraw/zinc/00/15/93/1066001593.db2.gz YPUZZOYKDSOTNM-OYRHEFFESA-N 1 1 464.614 3.004 20 0 JGADMO COCc1ccc(Cn2c(N3C[C@@H](C)[C@H]([N@H+]4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)cc1 ZINC001301165455 1066001630 /nfs/dbraw/zinc/00/16/30/1066001630.db2.gz XBCONWFMJUMJHA-HYBUGGRVSA-N 1 1 482.673 3.149 20 0 JGADMO COCC1=CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301185100 1066015219 /nfs/dbraw/zinc/01/52/19/1066015219.db2.gz HCTJPKAUULMUHE-DEOSSOPVSA-N 1 1 485.629 3.102 20 0 JGADMO COCC1=CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301188552 1066017912 /nfs/dbraw/zinc/01/79/12/1066017912.db2.gz QPKXLSGZRNNIIH-IBGZPJMESA-N 1 1 455.603 3.477 20 0 JGADMO COCc1nocc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001301228432 1066047362 /nfs/dbraw/zinc/04/73/62/1066047362.db2.gz NLSUSXJMEXVKME-TZIWHRDSSA-N 1 1 460.623 3.300 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001301241496 1066059628 /nfs/dbraw/zinc/05/96/28/1066059628.db2.gz YHPXSVWQOQIYCX-HSZRJFAPSA-N 1 1 484.689 3.480 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001301248056 1066065071 /nfs/dbraw/zinc/06/50/71/1066065071.db2.gz OEUJLLPGEQLLNL-IRLDBZIGSA-N 1 1 459.610 3.108 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301249742 1066066593 /nfs/dbraw/zinc/06/65/93/1066066593.db2.gz XOTJGGBTSPLCQG-BDTNDASRSA-N 1 1 470.662 3.405 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301251012 1066068115 /nfs/dbraw/zinc/06/81/15/1066068115.db2.gz KHYVJAXHTCZOQZ-HXUWFJFHSA-N 1 1 475.609 3.360 20 0 JGADMO COC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301255222 1066070315 /nfs/dbraw/zinc/07/03/15/1066070315.db2.gz BVJZKALRSJFMJE-GHTZIAJQSA-N 1 1 475.037 3.333 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301260668 1066075310 /nfs/dbraw/zinc/07/53/10/1066075310.db2.gz DEHQUMFCSCNASF-UGKGYDQZSA-N 1 1 489.064 3.404 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001301265053 1066080749 /nfs/dbraw/zinc/08/07/49/1066080749.db2.gz VEDWUXREWVDUEF-OALUTQOASA-N 1 1 492.462 3.417 20 0 JGADMO COC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001301278340 1066088592 /nfs/dbraw/zinc/08/85/92/1066088592.db2.gz PVYDBCBCTOLAJA-QFIPXVFZSA-N 1 1 460.692 3.067 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](COC)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301287617 1066095450 /nfs/dbraw/zinc/09/54/50/1066095450.db2.gz UGHHZGSAUKDKFL-LILXYRQWSA-N 1 1 463.667 3.233 20 0 JGADMO COCC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001301293828 1066098641 /nfs/dbraw/zinc/09/86/41/1066098641.db2.gz CKMOKGMHFLBGQB-SBUREZEXSA-N 1 1 464.010 3.001 20 0 JGADMO COCC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301298709 1066106001 /nfs/dbraw/zinc/10/60/01/1066106001.db2.gz WBEHQNQPJVFIPN-PXDATVDWSA-N 1 1 463.667 3.446 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301304133 1066107650 /nfs/dbraw/zinc/10/76/50/1066107650.db2.gz JKGCHZFHTCHDLR-CVEARBPZSA-N 1 1 454.402 3.445 20 0 JGADMO COCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001301304464 1066108614 /nfs/dbraw/zinc/10/86/14/1066108614.db2.gz RMOFARWEYDKPKC-INIZCTEOSA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301306573 1066110267 /nfs/dbraw/zinc/11/02/67/1066110267.db2.gz GZTGFRKJTWRDRG-HXUWFJFHSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301306573 1066110272 /nfs/dbraw/zinc/11/02/72/1066110272.db2.gz GZTGFRKJTWRDRG-HXUWFJFHSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301311391 1066112740 /nfs/dbraw/zinc/11/27/40/1066112740.db2.gz UDIZFFQLRZROJU-QGZVFWFLSA-N 1 1 478.435 3.291 20 0 JGADMO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301345102 1066136622 /nfs/dbraw/zinc/13/66/22/1066136622.db2.gz FIUDSTJJSOCYJK-VXKWHMMOSA-N 1 1 484.645 3.119 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cc[nH+]c2C)CCO1 ZINC001301358432 1066148443 /nfs/dbraw/zinc/14/84/43/1066148443.db2.gz MXKKTAWDNXZTNC-QGZVFWFLSA-N 1 1 493.381 3.294 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001301369173 1066163876 /nfs/dbraw/zinc/16/38/76/1066163876.db2.gz OMDKSGLNWLSZMI-BJLQDIEVSA-N 1 1 463.026 3.498 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@H](C)O1 ZINC001301369941 1066164424 /nfs/dbraw/zinc/16/44/24/1066164424.db2.gz VIMSGOBKUSQZMO-IHPCNDPISA-N 1 1 496.027 3.215 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H](C)O1 ZINC001301377295 1066170891 /nfs/dbraw/zinc/17/08/91/1066170891.db2.gz XMILQRGERUGWGF-QTEQDKRBSA-N 1 1 457.619 3.314 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC001301377538 1066171096 /nfs/dbraw/zinc/17/10/96/1066171096.db2.gz ZNGVMOJJCQGIQB-TZIWHRDSSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001301377536 1066171110 /nfs/dbraw/zinc/17/11/10/1066171110.db2.gz ZNGVMOJJCQGIQB-FPOVZHCZSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301382014 1066172391 /nfs/dbraw/zinc/17/23/91/1066172391.db2.gz BPAKZHYMAMXHBV-ZVDOUQERSA-N 1 1 456.635 3.257 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001301387647 1066174480 /nfs/dbraw/zinc/17/44/80/1066174480.db2.gz KVDQVDVAADHDOI-VAPSRWTKSA-N 1 1 457.619 3.280 20 0 JGADMO NS(=O)(=O)c1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)ccc1F ZINC001301394777 1066176770 /nfs/dbraw/zinc/17/67/70/1066176770.db2.gz WHIOOBQCKCPOLZ-RTBURBONSA-N 1 1 473.595 3.067 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001301396893 1066177916 /nfs/dbraw/zinc/17/79/16/1066177916.db2.gz OFOZUTZGXCFQCC-GIWBLDEGSA-N 1 1 456.635 3.159 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001301398366 1066179502 /nfs/dbraw/zinc/17/95/02/1066179502.db2.gz CYLYXQQLUIXNEI-PGRDOPGGSA-N 1 1 473.618 3.442 20 0 JGADMO COC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001301414245 1066203688 /nfs/dbraw/zinc/20/36/88/1066203688.db2.gz MZADCVIMZVUJIW-DXBBTUNJSA-N 1 1 463.667 3.313 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301418616 1066211176 /nfs/dbraw/zinc/21/11/76/1066211176.db2.gz XWVSMHRFOLERDI-UYAOXDASSA-N 1 1 475.659 3.084 20 0 JGADMO COCCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301427940 1066224875 /nfs/dbraw/zinc/22/48/75/1066224875.db2.gz UOHCBXIEUMQYPC-QFIPXVFZSA-N 1 1 473.666 3.255 20 0 JGADMO COCCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001301430099 1066227782 /nfs/dbraw/zinc/22/77/82/1066227782.db2.gz MQYQIWQSGIRUBJ-UHFFFAOYSA-N 1 1 462.683 3.064 20 0 JGADMO COCCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001301430099 1066227795 /nfs/dbraw/zinc/22/77/95/1066227795.db2.gz MQYQIWQSGIRUBJ-UHFFFAOYSA-N 1 1 462.683 3.064 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001301945052 1066230049 /nfs/dbraw/zinc/23/00/49/1066230049.db2.gz VKIOAXOCSLAEPL-UMXIMWEHSA-N 1 1 496.700 3.277 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001301948033 1066240186 /nfs/dbraw/zinc/24/01/86/1066240186.db2.gz JBRBPSVDJGZVIO-UHFFFAOYSA-N 1 1 487.718 3.166 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001301948033 1066240203 /nfs/dbraw/zinc/24/02/03/1066240203.db2.gz JBRBPSVDJGZVIO-UHFFFAOYSA-N 1 1 487.718 3.166 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001301948033 1066240218 /nfs/dbraw/zinc/24/02/18/1066240218.db2.gz JBRBPSVDJGZVIO-UHFFFAOYSA-N 1 1 487.718 3.166 20 0 JGADMO COCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001301438572 1066242198 /nfs/dbraw/zinc/24/21/98/1066242198.db2.gz BLQDTTXAXRWYRM-UQBPGWFLSA-N 1 1 453.587 3.345 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301439000 1066242916 /nfs/dbraw/zinc/24/29/16/1066242916.db2.gz CSKDMSXLVVMNSN-BPXKWBHBSA-N 1 1 478.435 3.168 20 0 JGADMO COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[NH2+][C@@H](c4ccccc4C)C3)CC2)c1 ZINC001301952608 1066253709 /nfs/dbraw/zinc/25/37/09/1066253709.db2.gz RYDYVEIFZRBPGP-XMMPIXPASA-N 1 1 451.567 3.038 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301954709 1066257598 /nfs/dbraw/zinc/25/75/98/1066257598.db2.gz QJNAWXNDJRWNPB-PMACEKPBSA-N 1 1 488.702 3.030 20 0 JGADMO COCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001301452190 1066267430 /nfs/dbraw/zinc/26/74/30/1066267430.db2.gz SJQCEXDXJQVVIF-KAYWLYCHSA-N 1 1 485.673 3.136 20 0 JGADMO COCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001301452190 1066267444 /nfs/dbraw/zinc/26/74/44/1066267444.db2.gz SJQCEXDXJQVVIF-KAYWLYCHSA-N 1 1 485.673 3.136 20 0 JGADMO COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC001301460360 1066281423 /nfs/dbraw/zinc/28/14/23/1066281423.db2.gz DAMIPFFDKCTYSX-NHCUHLMSSA-N 1 1 460.667 3.324 20 0 JGADMO COCCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001301469379 1066293509 /nfs/dbraw/zinc/29/35/09/1066293509.db2.gz PSUNMKNUPSZGIK-UHFFFAOYSA-N 1 1 475.659 3.086 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001301984993 1066295331 /nfs/dbraw/zinc/29/53/31/1066295331.db2.gz RCXBPOCMFJOXOC-BFRACDOUSA-N 1 1 493.693 3.000 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001301985557 1066296551 /nfs/dbraw/zinc/29/65/51/1066296551.db2.gz YKFJYAGEMOXZOQ-OAGGEKHMSA-N 1 1 454.040 3.339 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001301986747 1066300423 /nfs/dbraw/zinc/30/04/23/1066300423.db2.gz FMVQXTTYVUPOQX-RCCFBDPRSA-N 1 1 470.643 3.234 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCCC(C)(C)C1)S(C)(=O)=O ZINC001301990650 1066309645 /nfs/dbraw/zinc/30/96/45/1066309645.db2.gz SPNBWSIFZCLGJQ-DLBZAZTESA-N 1 1 483.082 3.373 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001301990990 1066309937 /nfs/dbraw/zinc/30/99/37/1066309937.db2.gz MERLPQUJWWLFPO-URVUXULASA-N 1 1 484.670 3.096 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001301494151 1066319032 /nfs/dbraw/zinc/31/90/32/1066319032.db2.gz JXAUODFSXSLOQQ-FQEVSTJZSA-N 1 1 452.640 3.005 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2Cc3ccc(Br)cc3C2)n1CCC[NH+]1CCOCC1 ZINC001301997646 1066327140 /nfs/dbraw/zinc/32/71/40/1066327140.db2.gz ZWNPUZRVXBFBML-KRWDZBQOSA-N 1 1 494.434 3.007 20 0 JGADMO CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001301503813 1066329691 /nfs/dbraw/zinc/32/96/91/1066329691.db2.gz LEPVUWSWAXUSHY-HYBUGGRVSA-N 1 1 457.640 3.381 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001301999358 1066330426 /nfs/dbraw/zinc/33/04/26/1066330426.db2.gz BRUAKBTXRXFZRV-QWFCFKBJSA-N 1 1 493.649 3.271 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001301999358 1066330444 /nfs/dbraw/zinc/33/04/44/1066330444.db2.gz BRUAKBTXRXFZRV-QWFCFKBJSA-N 1 1 493.649 3.271 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccc(Cl)cc1OC ZINC001301999460 1066331504 /nfs/dbraw/zinc/33/15/04/1066331504.db2.gz NIEBPASHIWYNFH-SQGPQFPESA-N 1 1 464.010 3.385 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC=CCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301999601 1066331920 /nfs/dbraw/zinc/33/19/20/1066331920.db2.gz HESRVTALTDNJRA-GGAORHGYSA-N 1 1 455.603 3.060 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302002084 1066337053 /nfs/dbraw/zinc/33/70/53/1066337053.db2.gz ZCLIBGSVXLEERJ-LPHOPBHVSA-N 1 1 487.567 3.367 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302002085 1066337142 /nfs/dbraw/zinc/33/71/42/1066337142.db2.gz ZCLIBGSVXLEERJ-QFBILLFUSA-N 1 1 487.567 3.367 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302004558 1066341145 /nfs/dbraw/zinc/34/11/45/1066341145.db2.gz VFIVQXUPYYSONE-SJBKTWHCSA-N 1 1 491.702 3.278 20 0 JGADMO COCC[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301526989 1066354532 /nfs/dbraw/zinc/35/45/32/1066354532.db2.gz WHJCBTLCAFVHMZ-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301526989 1066354550 /nfs/dbraw/zinc/35/45/50/1066354550.db2.gz WHJCBTLCAFVHMZ-JOCHJYFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001302012931 1066357702 /nfs/dbraw/zinc/35/77/02/1066357702.db2.gz LSBTUPIFGDZJNH-PWRODBHTSA-N 1 1 457.619 3.117 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(c3nc(C)no3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302014470 1066361028 /nfs/dbraw/zinc/36/10/28/1066361028.db2.gz LHZRZIQDXPGOMT-XLIONFOSSA-N 1 1 475.638 3.198 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1cccc(C(F)F)c1 ZINC001302015589 1066363264 /nfs/dbraw/zinc/36/32/64/1066363264.db2.gz UPYBWUFHRYXLNG-MHECFPHRSA-N 1 1 479.572 3.289 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1ccccc1Cl ZINC001302016543 1066365283 /nfs/dbraw/zinc/36/52/83/1066365283.db2.gz XLTGRGDVRZRUAN-NTKDMRAZSA-N 1 1 478.037 3.199 20 0 JGADMO COCCCCCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001301539155 1066367096 /nfs/dbraw/zinc/36/70/96/1066367096.db2.gz GAUFNWIOHZHDJD-NFBKMPQASA-N 1 1 460.667 3.131 20 0 JGADMO C[C@H](C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1)c1c(F)cccc1F ZINC001301549928 1066378202 /nfs/dbraw/zinc/37/82/02/1066378202.db2.gz AJBPGDINWHVCMH-IBGZPJMESA-N 1 1 456.537 3.150 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302023457 1066378930 /nfs/dbraw/zinc/37/89/30/1066378930.db2.gz IKGUZZFHSVWTMW-NNXSRULWSA-N 1 1 463.667 3.375 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H]1CCCSC1 ZINC001302023992 1066379949 /nfs/dbraw/zinc/37/99/49/1066379949.db2.gz KRUHGJKQERPHEU-KGSLCBSSSA-N 1 1 495.734 3.471 20 0 JGADMO COCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001301561888 1066387724 /nfs/dbraw/zinc/38/77/24/1066387724.db2.gz VGKUDLVXIDILLK-UHFFFAOYSA-N 1 1 466.424 3.211 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cccc(O)c1 ZINC001302027007 1066388660 /nfs/dbraw/zinc/38/86/60/1066388660.db2.gz XMXUTSSLTIPEGY-QHAWAJNXSA-N 1 1 487.645 3.082 20 0 JGADMO CC(C)(C)c1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCOCC(F)F)cc1 ZINC001302032767 1066400552 /nfs/dbraw/zinc/40/05/52/1066400552.db2.gz VRQPTSYTKJJLLZ-HXUWFJFHSA-N 1 1 463.573 3.435 20 0 JGADMO CC(C)(C)c1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCOCC(F)F)cc1 ZINC001302032767 1066400564 /nfs/dbraw/zinc/40/05/64/1066400564.db2.gz VRQPTSYTKJJLLZ-HXUWFJFHSA-N 1 1 463.573 3.435 20 0 JGADMO CC(C)(C)c1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCCOCC(F)F)cc1 ZINC001302032766 1066400724 /nfs/dbraw/zinc/40/07/24/1066400724.db2.gz VRQPTSYTKJJLLZ-FQEVSTJZSA-N 1 1 463.573 3.435 20 0 JGADMO CC(C)(C)c1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCCOCC(F)F)cc1 ZINC001302032766 1066400737 /nfs/dbraw/zinc/40/07/37/1066400737.db2.gz VRQPTSYTKJJLLZ-FQEVSTJZSA-N 1 1 463.573 3.435 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302039290 1066411705 /nfs/dbraw/zinc/41/17/05/1066411705.db2.gz VHWYJPAMNPDIQP-NZQKXSOJSA-N 1 1 489.636 3.369 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3ccccc3CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302042107 1066417802 /nfs/dbraw/zinc/41/78/02/1066417802.db2.gz PJKYBLLWWLMHLO-VXKWHMMOSA-N 1 1 471.646 3.108 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cc(F)ccc3C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302042325 1066419360 /nfs/dbraw/zinc/41/93/60/1066419360.db2.gz KUIPRHDYJCUVLP-VQTJNVASSA-N 1 1 475.609 3.205 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302042886 1066420676 /nfs/dbraw/zinc/42/06/76/1066420676.db2.gz RQGSWRXDLYOXHN-XUVXKRRUSA-N 1 1 475.609 3.233 20 0 JGADMO CC(C)(C)c1nnc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)s1 ZINC001302044915 1066427163 /nfs/dbraw/zinc/42/71/63/1066427163.db2.gz WNEWYSGQLDNAKF-UHFFFAOYSA-N 1 1 497.673 3.433 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302051245 1066437364 /nfs/dbraw/zinc/43/73/64/1066437364.db2.gz XNIVFXPMJDQBTR-NVXWUHKLSA-N 1 1 456.557 3.097 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302051956 1066438757 /nfs/dbraw/zinc/43/87/57/1066438757.db2.gz ALVJCBPHCPQSEI-HMXCVIKNSA-N 1 1 489.665 3.273 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC1(O)CCCC1 ZINC001302054568 1066447782 /nfs/dbraw/zinc/44/77/82/1066447782.db2.gz MOULKCOJIWAXPR-BDTNDASRSA-N 1 1 463.667 3.398 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC1(O)CCCC1 ZINC001302054569 1066447850 /nfs/dbraw/zinc/44/78/50/1066447850.db2.gz MOULKCOJIWAXPR-BHDDXSALSA-N 1 1 463.667 3.398 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302055639 1066450338 /nfs/dbraw/zinc/45/03/38/1066450338.db2.gz QWVDCTLIXZBLAY-OIBXWCBGSA-N 1 1 488.681 3.172 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302055655 1066450363 /nfs/dbraw/zinc/45/03/63/1066450363.db2.gz QWVDCTLIXZBLAY-WTIAFYNJSA-N 1 1 488.681 3.172 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001301606996 1066453052 /nfs/dbraw/zinc/45/30/52/1066453052.db2.gz GNPJFWWRKGSLFL-IRXDYDNUSA-N 1 1 467.456 3.497 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301607404 1066453848 /nfs/dbraw/zinc/45/38/48/1066453848.db2.gz LOQDNNICEZQEIK-MCPYQZEQSA-N 1 1 498.491 3.335 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001301607695 1066454335 /nfs/dbraw/zinc/45/43/35/1066454335.db2.gz OSJYYZQEUHROCE-IBGZPJMESA-N 1 1 478.037 3.341 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001301607523 1066454361 /nfs/dbraw/zinc/45/43/61/1066454361.db2.gz NNVLXRUICRQTRP-DNVCBOLYSA-N 1 1 481.439 3.008 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001301608282 1066455798 /nfs/dbraw/zinc/45/57/98/1066455798.db2.gz YZZQZDAJPPZFIV-SFHVURJKSA-N 1 1 494.434 3.065 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCCN(c2nccs2)CC1 ZINC001301609367 1066456789 /nfs/dbraw/zinc/45/67/89/1066456789.db2.gz GSCOTOLYTDOOSB-UHFFFAOYSA-N 1 1 473.622 3.226 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001301610244 1066457631 /nfs/dbraw/zinc/45/76/31/1066457631.db2.gz OXVJWQMDHWGTFP-UHFFFAOYSA-N 1 1 486.539 3.143 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001301612035 1066459857 /nfs/dbraw/zinc/45/98/57/1066459857.db2.gz ANTOOUYOOCSZKS-UHFFFAOYSA-N 1 1 455.529 3.140 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001301612549 1066460496 /nfs/dbraw/zinc/46/04/96/1066460496.db2.gz DRYFUKRSNYQUKP-UHFFFAOYSA-N 1 1 464.655 3.398 20 0 JGADMO COCCC[N@@H+](C)CCn1c(CC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001301613054 1066462481 /nfs/dbraw/zinc/46/24/81/1066462481.db2.gz JFGDQXBIAUZFOF-SFTDATJTSA-N 1 1 478.682 3.281 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001301613043 1066462527 /nfs/dbraw/zinc/46/25/27/1066462527.db2.gz JASDCAKEUJMPQK-JOCHJYFZSA-N 1 1 455.603 3.140 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCC3(CCCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302064634 1066463947 /nfs/dbraw/zinc/46/39/47/1066463947.db2.gz DIGBLXNJGJMTGU-OAQYLSRUSA-N 1 1 462.683 3.189 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001301614020 1066463949 /nfs/dbraw/zinc/46/39/49/1066463949.db2.gz URLNAEFXAAGESS-GOSISDBHSA-N 1 1 475.943 3.258 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302065593 1066464988 /nfs/dbraw/zinc/46/49/88/1066464988.db2.gz MGRGAFUPGMGGQD-BWKNWUBXSA-N 1 1 476.065 3.260 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)c1ncc(C)s1 ZINC001302067385 1066470148 /nfs/dbraw/zinc/47/01/48/1066470148.db2.gz IIXPPYQBSCNNSP-IEBWSBKVSA-N 1 1 450.653 3.491 20 0 JGADMO COCCC[N@@H+](C)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001301618588 1066471412 /nfs/dbraw/zinc/47/14/12/1066471412.db2.gz PYBCDBAASRDYJI-UHFFFAOYSA-N 1 1 496.700 3.411 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001302071330 1066479275 /nfs/dbraw/zinc/47/92/75/1066479275.db2.gz HVMTUQFQEHWLIP-QHAWAJNXSA-N 1 1 494.681 3.228 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001302071329 1066479382 /nfs/dbraw/zinc/47/93/82/1066479382.db2.gz HVMTUQFQEHWLIP-PWRODBHTSA-N 1 1 494.681 3.228 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001302071391 1066479432 /nfs/dbraw/zinc/47/94/32/1066479432.db2.gz IOFZBIPWUDXEJY-OFNKIYASSA-N 1 1 473.593 3.199 20 0 JGADMO COCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301629924 1066490557 /nfs/dbraw/zinc/49/05/57/1066490557.db2.gz WARDWQNFSGJNNU-UHFFFAOYSA-N 1 1 489.571 3.256 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301631791 1066493398 /nfs/dbraw/zinc/49/33/98/1066493398.db2.gz WNKHFWQDIODWML-RBUKOAKNSA-N 1 1 472.609 3.489 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302080415 1066496653 /nfs/dbraw/zinc/49/66/53/1066496653.db2.gz PDJYQYGDQYSXOB-RTWAWAEBSA-N 1 1 450.672 3.043 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302080415 1066496656 /nfs/dbraw/zinc/49/66/56/1066496656.db2.gz PDJYQYGDQYSXOB-RTWAWAEBSA-N 1 1 450.672 3.043 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301639695 1066503469 /nfs/dbraw/zinc/50/34/69/1066503469.db2.gz GFDVNLRDSQTSHK-NRFANRHFSA-N 1 1 467.662 3.223 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302083713 1066505852 /nfs/dbraw/zinc/50/58/52/1066505852.db2.gz IWBLXTGIYLTAPR-LEWJYISDSA-N 1 1 491.706 3.214 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302083716 1066506080 /nfs/dbraw/zinc/50/60/80/1066506080.db2.gz IWBLXTGIYLTAPR-SFTDATJTSA-N 1 1 491.706 3.214 20 0 JGADMO COCCCn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001301645930 1066509840 /nfs/dbraw/zinc/50/98/40/1066509840.db2.gz GJFNRCWWNOMCCQ-FQEVSTJZSA-N 1 1 450.587 3.192 20 0 JGADMO COCCCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001301647058 1066510366 /nfs/dbraw/zinc/51/03/66/1066510366.db2.gz MWNFMPLPKLBZKI-GBXCKJPGSA-N 1 1 469.609 3.297 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 ZINC001302088768 1066514919 /nfs/dbraw/zinc/51/49/19/1066514919.db2.gz HDHNIJRMBDQOKF-SFHLNBCPSA-N 1 1 479.572 3.137 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCCOC1 ZINC001302090444 1066517677 /nfs/dbraw/zinc/51/76/77/1066517677.db2.gz VHAKELVAQPLGGT-XJUOHMSHSA-N 1 1 457.619 3.139 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302093554 1066521869 /nfs/dbraw/zinc/52/18/69/1066521869.db2.gz WLZFPGXEAXULNC-HKBOAZHASA-N 1 1 494.681 3.226 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302093912 1066522531 /nfs/dbraw/zinc/52/25/31/1066522531.db2.gz XZGWFWBDYRHXTG-WMZOPIPTSA-N 1 1 499.582 3.358 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001302095814 1066525694 /nfs/dbraw/zinc/52/56/94/1066525694.db2.gz XJHZKFLDGKXFLV-GLDPYIMESA-N 1 1 477.675 3.282 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1sccc1C ZINC001302096160 1066526533 /nfs/dbraw/zinc/52/65/33/1066526533.db2.gz XQRAIQDEVDJFDC-RTBURBONSA-N 1 1 463.648 3.110 20 0 JGADMO CC(C)(C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302096665 1066527617 /nfs/dbraw/zinc/52/76/17/1066527617.db2.gz MZNPYZKGNHPRDC-MRXNPFEDSA-N 1 1 469.556 3.048 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(CCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301659620 1066528980 /nfs/dbraw/zinc/52/89/80/1066528980.db2.gz FQHVTDJSFHWQSY-OTNCWRBYSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(CCOc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301660246 1066529715 /nfs/dbraw/zinc/52/97/15/1066529715.db2.gz INHFJUAHXGMBQH-CQOQZXRMSA-N 1 1 482.673 3.325 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301660252 1066530116 /nfs/dbraw/zinc/53/01/16/1066530116.db2.gz INHFJUAHXGMBQH-WPFOTENUSA-N 1 1 482.673 3.325 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301661575 1066532915 /nfs/dbraw/zinc/53/29/15/1066532915.db2.gz SUSJSUDDGPMMPZ-YADHBBJMSA-N 1 1 482.673 3.435 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301663364 1066536625 /nfs/dbraw/zinc/53/66/25/1066536625.db2.gz WBCOGEADJMRNAX-NHCUHLMSSA-N 1 1 458.676 3.355 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3nccs3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302104533 1066538800 /nfs/dbraw/zinc/53/88/00/1066538800.db2.gz DAYNXAIPUUNJOD-WCIQWLHISA-N 1 1 478.663 3.157 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302106062 1066540956 /nfs/dbraw/zinc/54/09/56/1066540956.db2.gz UYWFKHSOHCCAPL-XZOQPEGZSA-N 1 1 493.693 3.289 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001301666471 1066542749 /nfs/dbraw/zinc/54/27/49/1066542749.db2.gz SGBAAETWDKSWTI-DEOSSOPVSA-N 1 1 482.673 3.052 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302109034 1066546869 /nfs/dbraw/zinc/54/68/69/1066546869.db2.gz SUKFNDGRBFEDKW-SIKLNZKXSA-N 1 1 476.021 3.495 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302110609 1066550201 /nfs/dbraw/zinc/55/02/01/1066550201.db2.gz FOZAICBHCJWVJC-YADHBBJMSA-N 1 1 495.734 3.473 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302112193 1066552395 /nfs/dbraw/zinc/55/23/95/1066552395.db2.gz OLRQYZFNKXSVBC-BDTNDASRSA-N 1 1 495.734 3.473 20 0 JGADMO COCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001301683439 1066566442 /nfs/dbraw/zinc/56/64/42/1066566442.db2.gz RLKOMMZZBSLDLO-WOJBJXKFSA-N 1 1 472.634 3.118 20 0 JGADMO CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001301685989 1066569945 /nfs/dbraw/zinc/56/99/45/1066569945.db2.gz BJYDSJORWGIUPW-HSZRJFAPSA-N 1 1 468.646 3.345 20 0 JGADMO CC(=O)N1CCC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001301688941 1066576122 /nfs/dbraw/zinc/57/61/22/1066576122.db2.gz ZEUXYHARHLUKJM-HXUWFJFHSA-N 1 1 474.600 3.326 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001301690875 1066578193 /nfs/dbraw/zinc/57/81/93/1066578193.db2.gz ITBLXAGUEXOGOQ-GOSISDBHSA-N 1 1 451.999 3.047 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302135923 1066581841 /nfs/dbraw/zinc/58/18/41/1066581841.db2.gz NROWTUJTSJHZJT-KRWDZBQOSA-N 1 1 481.567 3.077 20 0 JGADMO COCCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001302142368 1066591544 /nfs/dbraw/zinc/59/15/44/1066591544.db2.gz UFUAZPHVGHPSIS-IFMALSPDSA-N 1 1 471.646 3.097 20 0 JGADMO COCCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301703836 1066592440 /nfs/dbraw/zinc/59/24/40/1066592440.db2.gz SXEYCNXBEYEWTD-QFIPXVFZSA-N 1 1 470.643 3.008 20 0 JGADMO COCCN(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001301706539 1066596098 /nfs/dbraw/zinc/59/60/98/1066596098.db2.gz LPBKJXFJDDQSBZ-LJQANCHMSA-N 1 1 455.628 3.282 20 0 JGADMO COCCN(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001301706539 1066596108 /nfs/dbraw/zinc/59/61/08/1066596108.db2.gz LPBKJXFJDDQSBZ-LJQANCHMSA-N 1 1 455.628 3.282 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccs3)C[C@@H]2C)CC1 ZINC001301707063 1066596811 /nfs/dbraw/zinc/59/68/11/1066596811.db2.gz AYURTEOKLHBSHG-RXVVDRJESA-N 1 1 458.676 3.259 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccccc3F)C[C@@H]2C)CC1 ZINC001301707024 1066596861 /nfs/dbraw/zinc/59/68/61/1066596861.db2.gz ANSGDTMJJQSOSK-PGRDOPGGSA-N 1 1 456.610 3.142 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C)cc3C)C[C@@H]2C)CC1 ZINC001301707304 1066597657 /nfs/dbraw/zinc/59/76/57/1066597657.db2.gz BSPIMKGJEPVBJW-XUZZJYLKSA-N 1 1 452.647 3.446 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001302149270 1066599711 /nfs/dbraw/zinc/59/97/11/1066599711.db2.gz ZOMZFTFBFAIOSC-QFBILLFUSA-N 1 1 495.466 3.161 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CC(C)(C)c3ccccc3F)C[C@@H]2C)CC1 ZINC001301708274 1066600202 /nfs/dbraw/zinc/60/02/02/1066600202.db2.gz KPAXBXMSARKVFR-MBSDFSHPSA-N 1 1 456.610 3.082 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001301708476 1066601202 /nfs/dbraw/zinc/60/12/02/1066601202.db2.gz NQCRMMOPVZJHDA-GBXCKJPGSA-N 1 1 496.700 3.392 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708423 1066601216 /nfs/dbraw/zinc/60/12/16/1066601216.db2.gz MQHOYFKZFGVHLG-UNMCSNQZSA-N 1 1 462.683 3.017 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708474 1066601331 /nfs/dbraw/zinc/60/13/31/1066601331.db2.gz NOKLBKZTPRFCEK-PXDATVDWSA-N 1 1 497.688 3.090 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708472 1066601392 /nfs/dbraw/zinc/60/13/92/1066601392.db2.gz NOKLBKZTPRFCEK-BWKNWUBXSA-N 1 1 497.688 3.090 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3ccccn3)C[C@H]2C)CC1 ZINC001301708994 1066602007 /nfs/dbraw/zinc/60/20/07/1066602007.db2.gz RCLIPVZCNOTJPL-FYYLOGMGSA-N 1 1 496.704 3.143 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3ccccn3)C[C@@H]2C)CC1 ZINC001301708996 1066602027 /nfs/dbraw/zinc/60/20/27/1066602027.db2.gz RCLIPVZCNOTJPL-GMAHTHKFSA-N 1 1 496.704 3.143 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301708524 1066602088 /nfs/dbraw/zinc/60/20/88/1066602088.db2.gz OLOBEHRLVQDUTA-RLLQIKCJSA-N 1 1 486.583 3.241 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302151974 1066604022 /nfs/dbraw/zinc/60/40/22/1066604022.db2.gz PFCISKGZHCWQSN-SVFBPWRDSA-N 1 1 493.052 3.125 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC2(CCCC2)C1 ZINC001301710588 1066604747 /nfs/dbraw/zinc/60/47/47/1066604747.db2.gz KPCUCYKRKAQTFA-UHFFFAOYSA-N 1 1 484.645 3.265 20 0 JGADMO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301711501 1066606847 /nfs/dbraw/zinc/60/68/47/1066606847.db2.gz IOOCKLJJWUWTBD-OAQYLSRUSA-N 1 1 481.645 3.080 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001302153525 1066606999 /nfs/dbraw/zinc/60/69/99/1066606999.db2.gz ZMWOKTMKSNBJRV-FGZHOGPDSA-N 1 1 456.635 3.340 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302153576 1066607409 /nfs/dbraw/zinc/60/74/09/1066607409.db2.gz FECZMOPSKBCJBO-LJQANCHMSA-N 1 1 462.683 3.109 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302153576 1066607419 /nfs/dbraw/zinc/60/74/19/1066607419.db2.gz FECZMOPSKBCJBO-LJQANCHMSA-N 1 1 462.683 3.109 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C2CC2)C1 ZINC001301713294 1066611663 /nfs/dbraw/zinc/61/16/63/1066611663.db2.gz KHZUSBGHKSUANN-KRWDZBQOSA-N 1 1 465.440 3.251 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001302157124 1066612597 /nfs/dbraw/zinc/61/25/97/1066612597.db2.gz OFZQOYJSNCBMRM-XMMPIXPASA-N 1 1 485.673 3.379 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001301713726 1066612966 /nfs/dbraw/zinc/61/29/66/1066612966.db2.gz NOHIXCXUHDMARG-CVEARBPZSA-N 1 1 485.496 3.345 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCCCCC1 ZINC001301713933 1066614186 /nfs/dbraw/zinc/61/41/86/1066614186.db2.gz OWXHNUJDMSNDJG-UHFFFAOYSA-N 1 1 491.706 3.285 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCC1CCOCC1 ZINC001302160006 1066617882 /nfs/dbraw/zinc/61/78/82/1066617882.db2.gz BTDPCECORMLQAU-UHFFFAOYSA-N 1 1 474.694 3.208 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCC1CCOCC1 ZINC001302160006 1066617885 /nfs/dbraw/zinc/61/78/85/1066617885.db2.gz BTDPCECORMLQAU-UHFFFAOYSA-N 1 1 474.694 3.208 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001301716602 1066618562 /nfs/dbraw/zinc/61/85/62/1066618562.db2.gz LNDYBJIZRCDUTG-UHFFFAOYSA-N 1 1 486.636 3.281 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001301716568 1066618762 /nfs/dbraw/zinc/61/87/62/1066618762.db2.gz KPXVPFMCHGMHIZ-QFIPXVFZSA-N 1 1 484.567 3.147 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001301718058 1066620020 /nfs/dbraw/zinc/62/00/20/1066620020.db2.gz AFKLEZJYQUJDKR-DLBZAZTESA-N 1 1 453.603 3.446 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 ZINC001301717831 1066620057 /nfs/dbraw/zinc/62/00/57/1066620057.db2.gz WKTLVNRFPUVAGX-QHCPKHFHSA-N 1 1 454.619 3.266 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001301718478 1066620638 /nfs/dbraw/zinc/62/06/38/1066620638.db2.gz GFBUVDCGVGVTQJ-YLJYHZDGSA-N 1 1 465.545 3.240 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C)CC1 ZINC001301718495 1066620873 /nfs/dbraw/zinc/62/08/73/1066620873.db2.gz GLKLBUXQHFMRPG-HSZRJFAPSA-N 1 1 456.635 3.123 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCC2)C1 ZINC001301720532 1066623814 /nfs/dbraw/zinc/62/38/14/1066623814.db2.gz GKJPDWCELYURRF-FQEVSTJZSA-N 1 1 492.665 3.078 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001301721059 1066625631 /nfs/dbraw/zinc/62/56/31/1066625631.db2.gz FPOAYWHMGWBPGF-GASCZTMLSA-N 1 1 470.387 3.039 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001301721006 1066625672 /nfs/dbraw/zinc/62/56/72/1066625672.db2.gz DRALYGMEPOVFLU-OAQYLSRUSA-N 1 1 483.455 3.020 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301721271 1066626246 /nfs/dbraw/zinc/62/62/46/1066626246.db2.gz IKPHRYKCCFAQON-INIZCTEOSA-N 1 1 493.425 3.247 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)[C@@H](C)C1 ZINC001301721536 1066626777 /nfs/dbraw/zinc/62/67/77/1066626777.db2.gz LAGMMRXZZVTYKK-PXNSSMCTSA-N 1 1 493.027 3.032 20 0 JGADMO COCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001301721507 1066626919 /nfs/dbraw/zinc/62/69/19/1066626919.db2.gz KYLGJZFZWOHPNW-FQEVSTJZSA-N 1 1 466.586 3.312 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302165402 1066627526 /nfs/dbraw/zinc/62/75/26/1066627526.db2.gz LIYVJMBUBWQDCW-UHFFFAOYSA-N 1 1 462.589 3.194 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001301721642 1066627696 /nfs/dbraw/zinc/62/76/96/1066627696.db2.gz JRJIXRIQAGNILQ-AXHZCLLHSA-N 1 1 494.036 3.034 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001301722207 1066629497 /nfs/dbraw/zinc/62/94/97/1066629497.db2.gz OMADHLSQSGQBKG-BHDDXSALSA-N 1 1 477.694 3.296 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001301723099 1066633713 /nfs/dbraw/zinc/63/37/13/1066633713.db2.gz VYZCILMOTBAANZ-UHFFFAOYSA-N 1 1 496.841 3.309 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2 ZINC001301723106 1066633724 /nfs/dbraw/zinc/63/37/24/1066633724.db2.gz WCEANBJGISZGSR-IBGZPJMESA-N 1 1 461.582 3.142 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001301724662 1066637115 /nfs/dbraw/zinc/63/71/15/1066637115.db2.gz SNKDMAXKRONCOQ-INIZCTEOSA-N 1 1 486.418 3.360 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001301725508 1066639645 /nfs/dbraw/zinc/63/96/45/1066639645.db2.gz GWCPJYSZCLNRPM-UHFFFAOYSA-N 1 1 494.640 3.376 20 0 JGADMO COCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 ZINC001301725358 1066639686 /nfs/dbraw/zinc/63/96/86/1066639686.db2.gz DZPDQCGNDNLKMD-NRFANRHFSA-N 1 1 487.626 3.170 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 ZINC001301725358 1066639690 /nfs/dbraw/zinc/63/96/90/1066639690.db2.gz DZPDQCGNDNLKMD-NRFANRHFSA-N 1 1 487.626 3.170 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001301726105 1066642440 /nfs/dbraw/zinc/64/24/40/1066642440.db2.gz PEAQFRAAYVGJPQ-HSZRJFAPSA-N 1 1 482.000 3.090 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCC[C@@H]2C)[C@@H](C)C1 ZINC001301726731 1066643799 /nfs/dbraw/zinc/64/37/99/1066643799.db2.gz YCMIVZBWPMHQAF-GJZGRUSLSA-N 1 1 481.464 3.310 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001301727013 1066644388 /nfs/dbraw/zinc/64/43/88/1066644388.db2.gz YWLTZUPDSGOSKZ-OAQYLSRUSA-N 1 1 461.513 3.281 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001302173607 1066644859 /nfs/dbraw/zinc/64/48/59/1066644859.db2.gz KBBNMGVIAAZZGQ-FUHWJXTLSA-N 1 1 478.435 3.432 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001302173609 1066645031 /nfs/dbraw/zinc/64/50/31/1066645031.db2.gz KBBNMGVIAAZZGQ-WMZOPIPTSA-N 1 1 478.435 3.432 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001301727974 1066646368 /nfs/dbraw/zinc/64/63/68/1066646368.db2.gz QDWXVWIKNNXOBG-RUZDIDTESA-N 1 1 475.634 3.182 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001301728059 1066646421 /nfs/dbraw/zinc/64/64/21/1066646421.db2.gz UCDAZQWWDHHSGM-UHFFFAOYSA-N 1 1 474.009 3.426 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001301729866 1066648521 /nfs/dbraw/zinc/64/85/21/1066648521.db2.gz NVWAVRDLOVYVRT-QFIPXVFZSA-N 1 1 469.659 3.287 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001301730120 1066648538 /nfs/dbraw/zinc/64/85/38/1066648538.db2.gz PZWDMCRWYIYAMT-UHFFFAOYSA-N 1 1 487.649 3.002 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1Br ZINC001301729851 1066648592 /nfs/dbraw/zinc/64/85/92/1066648592.db2.gz NKEYWBKJHFTAON-UHFFFAOYSA-N 1 1 459.392 3.317 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001301730825 1066649805 /nfs/dbraw/zinc/64/98/05/1066649805.db2.gz ZFHFKBLLKADHOB-UHFFFAOYSA-N 1 1 477.613 3.082 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1nccs1 ZINC001301731761 1066651288 /nfs/dbraw/zinc/65/12/88/1066651288.db2.gz OHIVXLFYXJRVGS-UHFFFAOYSA-N 1 1 493.678 3.064 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001301732126 1066652124 /nfs/dbraw/zinc/65/21/24/1066652124.db2.gz REPSAGJKUQYOLG-PMACEKPBSA-N 1 1 478.682 3.453 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001302177434 1066652410 /nfs/dbraw/zinc/65/24/10/1066652410.db2.gz WFZWPWRMZXMXMR-BWKNWUBXSA-N 1 1 459.610 3.215 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCc2cccc(Br)c2C1 ZINC001301733339 1066653962 /nfs/dbraw/zinc/65/39/62/1066653962.db2.gz XUOAQTXOVHKEGI-HXUWFJFHSA-N 1 1 478.435 3.423 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001301735061 1066656558 /nfs/dbraw/zinc/65/65/58/1066656558.db2.gz UPQRSVCQZXTGMH-TZIWHRDSSA-N 1 1 453.635 3.218 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001301735838 1066657944 /nfs/dbraw/zinc/65/79/44/1066657944.db2.gz FTYUGAGURZQJQK-IEBWSBKVSA-N 1 1 455.525 3.378 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC001301738504 1066660178 /nfs/dbraw/zinc/66/01/78/1066660178.db2.gz SRFPCVRNZKIBPC-OYSWMMLKSA-N 1 1 457.615 3.477 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 ZINC001301740090 1066660740 /nfs/dbraw/zinc/66/07/40/1066660740.db2.gz JFYFHWYSOGAAOL-PMACEKPBSA-N 1 1 464.655 3.411 20 0 JGADMO COCCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CC[C@@H](C)C1 ZINC001301740341 1066661231 /nfs/dbraw/zinc/66/12/31/1066661231.db2.gz BMVIZUIUOADJIW-HKBOAZHASA-N 1 1 460.667 3.276 20 0 JGADMO COCCOC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001302184858 1066662761 /nfs/dbraw/zinc/66/27/61/1066662761.db2.gz PRRRMSNXEPQBNL-OAQYLSRUSA-N 1 1 470.662 3.406 20 0 JGADMO CC(C)(C)CCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001302187531 1066666390 /nfs/dbraw/zinc/66/63/90/1066666390.db2.gz MPBAFPIYSBOENU-FGZHOGPDSA-N 1 1 471.646 3.170 20 0 JGADMO COCCOCc1ccc(Cn2c(C(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC001302189337 1066668381 /nfs/dbraw/zinc/66/83/81/1066668381.db2.gz HOZCARYTCOSLDR-OAQYLSRUSA-N 1 1 471.646 3.302 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC001301744276 1066669392 /nfs/dbraw/zinc/66/93/92/1066669392.db2.gz LHZSNHYDVLVMCM-FHWLQOOXSA-N 1 1 474.600 3.325 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301744661 1066669957 /nfs/dbraw/zinc/66/99/57/1066669957.db2.gz LPNCRRMYJBUJDN-KDURUIRLSA-N 1 1 489.064 3.079 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001302190745 1066672006 /nfs/dbraw/zinc/67/20/06/1066672006.db2.gz BWVSYLYTWAKDGN-UHFFFAOYSA-N 1 1 459.660 3.471 20 0 JGADMO COCCN(c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1CCOCC1)[C@@H]1CC[C@@H](C)C1 ZINC001301747441 1066675327 /nfs/dbraw/zinc/67/53/27/1066675327.db2.gz CZNVWMVLXMBNCO-UYAOXDASSA-N 1 1 463.026 3.357 20 0 JGADMO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC001301748433 1066676544 /nfs/dbraw/zinc/67/65/44/1066676544.db2.gz FXYNSZZRHWEFPE-RJGXRXQPSA-N 1 1 496.700 3.398 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001301750007 1066678957 /nfs/dbraw/zinc/67/89/57/1066678957.db2.gz OBUOCCDERRMVEF-GMAHTHKFSA-N 1 1 492.672 3.107 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001302194081 1066681111 /nfs/dbraw/zinc/68/11/11/1066681111.db2.gz AQCWDQKPSTYJEH-INIZCTEOSA-N 1 1 484.041 3.483 20 0 JGADMO Cc1c(C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)cnn1-c1cc[nH+]cc1 ZINC001301751142 1066681659 /nfs/dbraw/zinc/68/16/59/1066681659.db2.gz IHWQHBXKUWEZOY-OAHLLOKOSA-N 1 1 456.344 3.409 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccsc2Br)CC1 ZINC001302194601 1066682262 /nfs/dbraw/zinc/68/22/62/1066682262.db2.gz HEGRMSWBXIXXFC-HNNXBMFYSA-N 1 1 481.464 3.412 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(F)cn2)CC1 ZINC001302195264 1066684449 /nfs/dbraw/zinc/68/44/49/1066684449.db2.gz PJKQPLFIVJSGHB-UHFFFAOYSA-N 1 1 486.617 3.242 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC001301755844 1066686935 /nfs/dbraw/zinc/68/69/35/1066686935.db2.gz DWKMYFNGJLZXAH-GCJKJVERSA-N 1 1 472.609 3.174 20 0 JGADMO CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001301756194 1066687559 /nfs/dbraw/zinc/68/75/59/1066687559.db2.gz HXLGSOFRWRJJST-UHFFFAOYSA-N 1 1 451.040 3.233 20 0 JGADMO COCCOC[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302198061 1066689573 /nfs/dbraw/zinc/68/95/73/1066689573.db2.gz PHFFSFFZILHURG-HBMCJLEFSA-N 1 1 475.634 3.224 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCCCS(C)(=O)=O)CC1 ZINC001302200304 1066693298 /nfs/dbraw/zinc/69/32/98/1066693298.db2.gz KWPNUZKRBVPBKU-LJQANCHMSA-N 1 1 455.669 3.045 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001302200891 1066695399 /nfs/dbraw/zinc/69/53/99/1066695399.db2.gz TXODEQGHWZDUOB-QGZVFWFLSA-N 1 1 496.582 3.404 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)CC1 ZINC001302200959 1066695449 /nfs/dbraw/zinc/69/54/49/1066695449.db2.gz VCCYOJQGBVGQCH-UHFFFAOYSA-N 1 1 492.619 3.044 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCOCC2)CC1 ZINC001302200938 1066695520 /nfs/dbraw/zinc/69/55/20/1066695520.db2.gz UQADTTOXYHJIHE-UHFFFAOYSA-N 1 1 458.626 3.041 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCc2c(F)cccc2F)CC1 ZINC001302201192 1066695961 /nfs/dbraw/zinc/69/59/61/1066695961.db2.gz ZLNVDKPNMUIYNX-UHFFFAOYSA-N 1 1 460.573 3.232 20 0 JGADMO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001302202022 1066697531 /nfs/dbraw/zinc/69/75/31/1066697531.db2.gz AUCXGOUGNSWHDI-KRWDZBQOSA-N 1 1 497.612 3.292 20 0 JGADMO CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301762461 1066700631 /nfs/dbraw/zinc/70/06/31/1066700631.db2.gz AXCMRZIFBOLHDL-YKSBVNFPSA-N 1 1 484.620 3.341 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCOc3cccc(F)c3)C[C@@H]2C)CC1 ZINC001301762484 1066701473 /nfs/dbraw/zinc/70/14/73/1066701473.db2.gz BRGAXPPGGPVSCZ-CVDCTZTESA-N 1 1 486.636 3.074 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCO[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001301762966 1066702748 /nfs/dbraw/zinc/70/27/48/1066702748.db2.gz DWMWXLZDCIPLRP-JFJDKTSWSA-N 1 1 474.694 3.061 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3nc(C(C)C)cs3)C[C@H]2C)CC1 ZINC001301763497 1066703128 /nfs/dbraw/zinc/70/31/28/1066703128.db2.gz GLCTZUJUYHDKIT-YLJYHZDGSA-N 1 1 459.664 3.019 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CCC(C)C)C[C@@H]2C)CC1 ZINC001301764106 1066704817 /nfs/dbraw/zinc/70/48/17/1066704817.db2.gz ILDSVOOMJVPSJK-OXJNMPFZSA-N 1 1 492.466 3.071 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)c3nc(C)cs3)C[C@@H]2C)CC1 ZINC001301764677 1066705480 /nfs/dbraw/zinc/70/54/80/1066705480.db2.gz JUZWRHBNTWBKLR-WAOWUJCRSA-N 1 1 473.691 3.034 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)cc3)nnc2N2CCCCCC2)CC1 ZINC001301765137 1066706813 /nfs/dbraw/zinc/70/68/13/1066706813.db2.gz WKDRUGZYAVNMKN-UHFFFAOYSA-N 1 1 475.435 3.252 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C)n3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001301766858 1066708373 /nfs/dbraw/zinc/70/83/73/1066708373.db2.gz KIEREHBVVVFBAZ-UHFFFAOYSA-N 1 1 479.604 3.367 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(CCC(F)(F)F)CC2CC2)CC1 ZINC001301767039 1066708453 /nfs/dbraw/zinc/70/84/53/1066708453.db2.gz LSAZMSFXMCBFCS-UHFFFAOYSA-N 1 1 499.969 3.326 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001301767353 1066709347 /nfs/dbraw/zinc/70/93/47/1066709347.db2.gz RHGCDFWUXRAKKR-LJQANCHMSA-N 1 1 482.032 3.398 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC(F)(F)C3)C[C@H]2C)CC1 ZINC001301767560 1066709761 /nfs/dbraw/zinc/70/97/61/1066709761.db2.gz QVHRZOXHLNISBP-MISYRCLQSA-N 1 1 466.621 3.291 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CCCc4ccccc4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301767602 1066709788 /nfs/dbraw/zinc/70/97/88/1066709788.db2.gz RDGKWDBHBDDOMK-NFBKMPQASA-N 1 1 488.627 3.488 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccccc3C)C[C@@H]2C)CC1 ZINC001301767821 1066710357 /nfs/dbraw/zinc/71/03/57/1066710357.db2.gz RNCPJPMFWBVXOM-NZQKXSOJSA-N 1 1 452.647 3.116 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CCCc4ccccc4)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001301767608 1066710635 /nfs/dbraw/zinc/71/06/35/1066710635.db2.gz RDGKWDBHBDDOMK-REWPJTCUSA-N 1 1 488.627 3.488 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4F)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301767618 1066710660 /nfs/dbraw/zinc/71/06/60/1066710660.db2.gz REBJIMKJRCNBMP-OXQOHEQNSA-N 1 1 464.536 3.118 20 0 JGADMO CC(C)=CCCn1c(COc2ccccc2F)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301768346 1066711276 /nfs/dbraw/zinc/71/12/76/1066711276.db2.gz UTTNCLIJYHTGGR-REWPJTCUSA-N 1 1 484.620 3.341 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccc4Cl)n3CCCOC(F)F)C[C@H]2C)CC1 ZINC001301768380 1066711607 /nfs/dbraw/zinc/71/16/07/1066711607.db2.gz VPPJUDATDYUGMM-UZLBHIALSA-N 1 1 496.990 3.217 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCSc3ccccc3)C[C@@H]2C)CC1 ZINC001301768390 1066711656 /nfs/dbraw/zinc/71/16/56/1066711656.db2.gz VVOIFBOKHBZHPT-UGKGYDQZSA-N 1 1 470.687 3.357 20 0 JGADMO COCCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001301770316 1066713576 /nfs/dbraw/zinc/71/35/76/1066713576.db2.gz LHMGZQGRCJZFHV-QFIPXVFZSA-N 1 1 468.646 3.175 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(C)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001301778090 1066725102 /nfs/dbraw/zinc/72/51/02/1066725102.db2.gz ONPUXUCAARLPRH-HXUWFJFHSA-N 1 1 453.587 3.410 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(C)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001301778090 1066725112 /nfs/dbraw/zinc/72/51/12/1066725112.db2.gz ONPUXUCAARLPRH-HXUWFJFHSA-N 1 1 453.587 3.410 20 0 JGADMO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c(OC)c1 ZINC001301781684 1066731479 /nfs/dbraw/zinc/73/14/79/1066731479.db2.gz FTVFPKPLCZQXEQ-OFNKIYASSA-N 1 1 451.567 3.008 20 0 JGADMO COCCOCCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302225188 1066737448 /nfs/dbraw/zinc/73/74/48/1066737448.db2.gz QFNZNFLFDFPVFM-UHFFFAOYSA-N 1 1 452.603 3.467 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301807451 1066760982 /nfs/dbraw/zinc/76/09/82/1066760982.db2.gz GOAUKXFWLOTQJE-GRTSPXDGSA-N 1 1 460.667 3.176 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(CC(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001301807797 1066762388 /nfs/dbraw/zinc/76/23/88/1066762388.db2.gz KFNVJZAIJYESNH-HRTMPFAESA-N 1 1 462.683 3.107 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301808870 1066763747 /nfs/dbraw/zinc/76/37/47/1066763747.db2.gz RTDFXFFWQQPYDB-QBHIOLROSA-N 1 1 460.667 3.320 20 0 JGADMO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCO1 ZINC001302240992 1066765036 /nfs/dbraw/zinc/76/50/36/1066765036.db2.gz KUQQYIOBNBMTPM-PMACEKPBSA-N 1 1 492.665 3.076 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001302241931 1066767069 /nfs/dbraw/zinc/76/70/69/1066767069.db2.gz KXYSDBSZBZOVOW-LJQANCHMSA-N 1 1 462.639 3.150 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C3CCC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001302241931 1066767073 /nfs/dbraw/zinc/76/70/73/1066767073.db2.gz KXYSDBSZBZOVOW-LJQANCHMSA-N 1 1 462.639 3.150 20 0 JGADMO CN1CC[NH+](Cc2ccc(C(=O)N3C[C@]4(C)CN(C(=O)OC(C)(C)C)C[C@]4(C)C3)cc2)CC1 ZINC001301815492 1066771852 /nfs/dbraw/zinc/77/18/52/1066771852.db2.gz TWRMFDCCUWHDJN-WMPKNSHKSA-N 1 1 456.631 3.153 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001302243892 1066772524 /nfs/dbraw/zinc/77/25/24/1066772524.db2.gz RUVMKLWGLNEPBM-HJOGWXRNSA-N 1 1 485.673 3.489 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001302243893 1066772619 /nfs/dbraw/zinc/77/26/19/1066772619.db2.gz RUVMKLWGLNEPBM-VXNXHJTFSA-N 1 1 485.673 3.489 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302245377 1066775218 /nfs/dbraw/zinc/77/52/18/1066775218.db2.gz WSPPPHZRTJLJND-NRFANRHFSA-N 1 1 467.618 3.019 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302245378 1066775267 /nfs/dbraw/zinc/77/52/67/1066775267.db2.gz WSPPPHZRTJLJND-OAQYLSRUSA-N 1 1 467.618 3.019 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302246562 1066777555 /nfs/dbraw/zinc/77/75/55/1066777555.db2.gz SDBHIMHYYMXPRO-SFHVURJKSA-N 1 1 488.608 3.298 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302246562 1066777569 /nfs/dbraw/zinc/77/75/69/1066777569.db2.gz SDBHIMHYYMXPRO-SFHVURJKSA-N 1 1 488.608 3.298 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302249573 1066783935 /nfs/dbraw/zinc/78/39/35/1066783935.db2.gz HGMLKWINYXELEX-JOCHJYFZSA-N 1 1 498.672 3.278 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(F)c2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302251835 1066788393 /nfs/dbraw/zinc/78/83/93/1066788393.db2.gz ZHJUMNQVLWFNDL-WWNPGLIZSA-N 1 1 475.609 3.134 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301830356 1066796311 /nfs/dbraw/zinc/79/63/11/1066796311.db2.gz ZSMCFUUHMKFUKV-NFBKMPQASA-N 1 1 482.032 3.325 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001301832232 1066798626 /nfs/dbraw/zinc/79/86/26/1066798626.db2.gz KDKYCAPLTXOZHJ-FPOVZHCZSA-N 1 1 454.619 3.062 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001301832235 1066798692 /nfs/dbraw/zinc/79/86/92/1066798692.db2.gz KDKYCAPLTXOZHJ-PZJWPPBQSA-N 1 1 454.619 3.062 20 0 JGADMO CC(C)(C)OC(=O)NCC1CCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001302255838 1066799139 /nfs/dbraw/zinc/79/91/39/1066799139.db2.gz IFHJGRUVVZMEFD-UHFFFAOYSA-N 1 1 476.666 3.398 20 0 JGADMO CC(C)(C)OC(=O)NCC1CCN(c2nnc(C3CCC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001302255838 1066799147 /nfs/dbraw/zinc/79/91/47/1066799147.db2.gz IFHJGRUVVZMEFD-UHFFFAOYSA-N 1 1 476.666 3.398 20 0 JGADMO COCCn1c(Cc2ccccc2C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001301836394 1066806383 /nfs/dbraw/zinc/80/63/83/1066806383.db2.gz GCNOTDDFNHCFMU-XUZZJYLKSA-N 1 1 451.619 3.077 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001301836816 1066807843 /nfs/dbraw/zinc/80/78/43/1066807843.db2.gz SZBATGIDZCUGQP-OAHLLOKOSA-N 1 1 462.545 3.134 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301839389 1066810409 /nfs/dbraw/zinc/81/04/09/1066810409.db2.gz NUKBPJJNNWNXAB-SJORKVTESA-N 1 1 460.026 3.219 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cccn3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301840324 1066811127 /nfs/dbraw/zinc/81/11/27/1066811127.db2.gz CVJNLCKNTPCISO-FQEVSTJZSA-N 1 1 463.630 3.299 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302271993 1066830635 /nfs/dbraw/zinc/83/06/35/1066830635.db2.gz FNQQZMUDRQINFH-VJANTYMQSA-N 1 1 489.583 3.280 20 0 JGADMO COCCn1cc(Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC001301854802 1066834434 /nfs/dbraw/zinc/83/44/34/1066834434.db2.gz WJBZZQVBYVJRRI-OAQYLSRUSA-N 1 1 465.646 3.469 20 0 JGADMO CC(C)(C)OC(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001302274917 1066838387 /nfs/dbraw/zinc/83/83/87/1066838387.db2.gz ARNXAVVHVUXCNQ-VAMGGRTRSA-N 1 1 476.666 3.396 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCn2cc[nH+]c2C)C1 ZINC001301867422 1066859021 /nfs/dbraw/zinc/85/90/21/1066859021.db2.gz MEIHMNMFLFXQJR-HXUWFJFHSA-N 1 1 485.583 3.485 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001301867801 1066859201 /nfs/dbraw/zinc/85/92/01/1066859201.db2.gz NFJMJDJZWYYNSH-DQEYMECFSA-N 1 1 482.673 3.120 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301870727 1066862553 /nfs/dbraw/zinc/86/25/53/1066862553.db2.gz YSQBLNOYBVTOJV-FGZHOGPDSA-N 1 1 470.637 3.481 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301870728 1066862799 /nfs/dbraw/zinc/86/27/99/1066862799.db2.gz YSQBLNOYBVTOJV-VXKWHMMOSA-N 1 1 470.637 3.481 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001301871626 1066865397 /nfs/dbraw/zinc/86/53/97/1066865397.db2.gz HKQLQWIHWHGRDY-GGAORHGYSA-N 1 1 468.646 3.311 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001301871624 1066865416 /nfs/dbraw/zinc/86/54/16/1066865416.db2.gz HKQLQWIHWHGRDY-FYYLOGMGSA-N 1 1 468.646 3.311 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301872802 1066869519 /nfs/dbraw/zinc/86/95/19/1066869519.db2.gz OYBJKNOUYVJHTD-DNQXCXABSA-N 1 1 482.673 3.373 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CC[N@@H+](C)C(C)C ZINC001302291304 1066870421 /nfs/dbraw/zinc/87/04/21/1066870421.db2.gz XWJBHTNNMVDQAH-AVRDEDQJSA-N 1 1 493.599 3.109 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(Cl)nc2)C[C@@H]1C ZINC001301873835 1066874225 /nfs/dbraw/zinc/87/42/25/1066874225.db2.gz AYCFSTVRMCEDEV-IBGZPJMESA-N 1 1 498.031 3.401 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(Cl)nc2)C[C@@H]1C ZINC001301873835 1066874230 /nfs/dbraw/zinc/87/42/30/1066874230.db2.gz AYCFSTVRMCEDEV-IBGZPJMESA-N 1 1 498.031 3.401 20 0 JGADMO COCCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001301874593 1066875707 /nfs/dbraw/zinc/87/57/07/1066875707.db2.gz JXCYBSCHCHGINJ-TZIWHRDSSA-N 1 1 460.692 3.489 20 0 JGADMO COCCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001301874590 1066875758 /nfs/dbraw/zinc/87/57/58/1066875758.db2.gz JXCYBSCHCHGINJ-CTNGQTDRSA-N 1 1 460.692 3.489 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccccc2F)C[C@@H]1C ZINC001301876315 1066877264 /nfs/dbraw/zinc/87/72/64/1066877264.db2.gz ZWPXQSVZVZPOGU-IBGZPJMESA-N 1 1 495.603 3.199 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccccc2F)C[C@@H]1C ZINC001301876315 1066877269 /nfs/dbraw/zinc/87/72/69/1066877269.db2.gz ZWPXQSVZVZPOGU-IBGZPJMESA-N 1 1 495.603 3.199 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC=CCC2)CC1 ZINC001301876266 1066877353 /nfs/dbraw/zinc/87/73/53/1066877353.db2.gz ZJJFVYJKSHPCMK-OAQYLSRUSA-N 1 1 452.603 3.272 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2ccc(I)cc2)C[C@@H]1C ZINC001301875960 1066877560 /nfs/dbraw/zinc/87/75/60/1066877560.db2.gz SPBBXYRFSYNOOY-INIZCTEOSA-N 1 1 483.398 3.211 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C2CC(C(C)(C)C)C2)C[C@@H]1C ZINC001301876618 1066878234 /nfs/dbraw/zinc/87/82/34/1066878234.db2.gz GEHYNYXPAOFNIB-YPSOBGEZSA-N 1 1 463.667 3.473 20 0 JGADMO COCCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001301877741 1066880245 /nfs/dbraw/zinc/88/02/45/1066880245.db2.gz RDALBZQYWLHCOC-WOJBJXKFSA-N 1 1 474.625 3.198 20 0 JGADMO COCCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001301877738 1066880359 /nfs/dbraw/zinc/88/03/59/1066880359.db2.gz RDALBZQYWLHCOC-PMACEKPBSA-N 1 1 474.625 3.198 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001301877968 1066880931 /nfs/dbraw/zinc/88/09/31/1066880931.db2.gz UCMMHGJGERFOLN-OFNKIYASSA-N 1 1 485.620 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCCO2)C[C@@H]1C ZINC001301878220 1066881693 /nfs/dbraw/zinc/88/16/93/1066881693.db2.gz UYKIJSZHIVGWHO-ILWGZMRPSA-N 1 1 457.619 3.371 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1CC[N@@H+](C)C(C)C ZINC001302302180 1066887703 /nfs/dbraw/zinc/88/77/03/1066887703.db2.gz AAHQDPYADUUDDM-ZEQRLZLVSA-N 1 1 498.672 3.003 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)COC)C[C@H]1C ZINC001301881684 1066888390 /nfs/dbraw/zinc/88/83/90/1066888390.db2.gz HGBLMLBHJPEWHP-DLBZAZTESA-N 1 1 466.424 3.147 20 0 JGADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001301881947 1066888964 /nfs/dbraw/zinc/88/89/64/1066888964.db2.gz PHTFOTPBFWPODN-GCJKJVERSA-N 1 1 459.537 3.272 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001301882340 1066889674 /nfs/dbraw/zinc/88/96/74/1066889674.db2.gz NTJAOAQKITWASZ-QUCCMNQESA-N 1 1 478.435 3.291 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(=O)c2occc2C)CC1 ZINC001301882394 1066890394 /nfs/dbraw/zinc/89/03/94/1066890394.db2.gz OUSQDPLIRGKFCD-UHFFFAOYSA-N 1 1 487.004 3.088 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](Cc1ccccc1)OC ZINC001302304220 1066891628 /nfs/dbraw/zinc/89/16/28/1066891628.db2.gz STJPIPMYZLADDS-HJOGWXRNSA-N 1 1 471.646 3.180 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001301883516 1066892378 /nfs/dbraw/zinc/89/23/78/1066892378.db2.gz ZAHIDNMFEYFPTQ-IBGZPJMESA-N 1 1 475.037 3.014 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OC(C)C)nc2)C[C@@H]1C ZINC001301884397 1066892813 /nfs/dbraw/zinc/89/28/13/1066892813.db2.gz BGFBHCDKZCGXGZ-FQEVSTJZSA-N 1 1 480.613 3.341 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2sc(C)nc2C)CC1 ZINC001301884416 1066893581 /nfs/dbraw/zinc/89/35/81/1066893581.db2.gz BQAOQYARVOEJJJ-UHFFFAOYSA-N 1 1 486.642 3.047 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301885310 1066894282 /nfs/dbraw/zinc/89/42/82/1066894282.db2.gz IPERQWAEFWWQQU-NRFANRHFSA-N 1 1 470.662 3.233 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301885310 1066894287 /nfs/dbraw/zinc/89/42/87/1066894287.db2.gz IPERQWAEFWWQQU-NRFANRHFSA-N 1 1 470.662 3.233 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301885866 1066895351 /nfs/dbraw/zinc/89/53/51/1066895351.db2.gz AQRYQJFMQLCFPB-NFBKMPQASA-N 1 1 460.667 3.179 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](OC)C2CC2)C[C@H]1C ZINC001301885875 1066895398 /nfs/dbraw/zinc/89/53/98/1066895398.db2.gz OCAOSIBKJFLVNQ-UZLBHIALSA-N 1 1 478.435 3.290 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301886242 1066896672 /nfs/dbraw/zinc/89/66/72/1066896672.db2.gz SXKJZXIHYGWWFL-INIZCTEOSA-N 1 1 483.480 3.022 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1C ZINC001301886360 1066897301 /nfs/dbraw/zinc/89/73/01/1066897301.db2.gz WHQIJBUPRGLSIO-GCKMJXCFSA-N 1 1 498.491 3.477 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccccc3F)CC2)n1CCC[N@@H+](C)C(C)C ZINC001302307583 1066898822 /nfs/dbraw/zinc/89/88/22/1066898822.db2.gz AFJUUVGVASSHEO-REWPJTCUSA-N 1 1 474.625 3.198 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](OC)C2CC2)CC1 ZINC001301887058 1066899758 /nfs/dbraw/zinc/89/97/58/1066899758.db2.gz DEUQMJVAGVJMGK-FQEVSTJZSA-N 1 1 478.435 3.209 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001301887290 1066900473 /nfs/dbraw/zinc/90/04/73/1066900473.db2.gz ICIDJHWMLRLXMV-ZHRRBRCNSA-N 1 1 486.444 3.196 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCCCC2)C[C@H]1C ZINC001301888108 1066902593 /nfs/dbraw/zinc/90/25/93/1066902593.db2.gz MEUVVPNOMNKDMZ-GOSISDBHSA-N 1 1 478.037 3.459 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001301888190 1066903069 /nfs/dbraw/zinc/90/30/69/1066903069.db2.gz NVAOQCIODFZJGZ-FXAWDEMLSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001301888350 1066903746 /nfs/dbraw/zinc/90/37/46/1066903746.db2.gz MRBCKARSKGWCKS-QGZVFWFLSA-N 1 1 452.559 3.010 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCCCO2)CC1 ZINC001301888930 1066905106 /nfs/dbraw/zinc/90/51/06/1066905106.db2.gz SEBUHTHVFUMWOK-NRFANRHFSA-N 1 1 473.618 3.078 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)C[C@H]1C ZINC001301889010 1066905377 /nfs/dbraw/zinc/90/53/77/1066905377.db2.gz UNWDFWOOUHBNHX-HUUCEWRRSA-N 1 1 470.387 3.039 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001301889082 1066905400 /nfs/dbraw/zinc/90/54/00/1066905400.db2.gz SRCLYDOXYFHISE-QGZVFWFLSA-N 1 1 476.622 3.307 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@@H]2C)C[C@H]1C ZINC001301889020 1066905453 /nfs/dbraw/zinc/90/54/53/1066905453.db2.gz UUMNQTRXEKAQLY-OTWHNJEPSA-N 1 1 478.037 3.437 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@@H]2C)C[C@@H]1C ZINC001301889019 1066905497 /nfs/dbraw/zinc/90/54/97/1066905497.db2.gz UUMNQTRXEKAQLY-FHWLQOOXSA-N 1 1 478.037 3.437 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001301889084 1066905529 /nfs/dbraw/zinc/90/55/29/1066905529.db2.gz STLWKTOQTAULHG-HXUWFJFHSA-N 1 1 470.662 3.314 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccncc2)CC1 ZINC001301889168 1066906101 /nfs/dbraw/zinc/90/61/01/1066906101.db2.gz WDJAWQCZMFRITI-UHFFFAOYSA-N 1 1 489.393 3.253 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](OC)C(C)(C)C ZINC001302311851 1066906107 /nfs/dbraw/zinc/90/61/07/1066906107.db2.gz MJRJWUOZUXGETO-MPJJRAAHSA-N 1 1 463.667 3.374 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)c2cccs2)CC1 ZINC001301889166 1066906221 /nfs/dbraw/zinc/90/62/21/1066906221.db2.gz VZLBSGXQQGHYPL-QFIPXVFZSA-N 1 1 480.009 3.475 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H](OC)C(C)(C)C ZINC001302311852 1066906367 /nfs/dbraw/zinc/90/63/67/1066906367.db2.gz MJRJWUOZUXGETO-WAGURGNTSA-N 1 1 463.667 3.374 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(OC)cc2)C[C@@H]1C ZINC001301889210 1066906358 /nfs/dbraw/zinc/90/63/58/1066906358.db2.gz XJDYHSVPMWBXQQ-SFHVURJKSA-N 1 1 487.004 3.238 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001301891557 1066912121 /nfs/dbraw/zinc/91/21/21/1066912121.db2.gz QAQQFIDENCTNIL-SFHVURJKSA-N 1 1 494.587 3.262 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001301892660 1066913391 /nfs/dbraw/zinc/91/33/91/1066913391.db2.gz UTJCODVYVGGFJO-LJQANCHMSA-N 1 1 472.634 3.405 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2c(F)cccc2OC(F)F)C[C@H]1C ZINC001301895776 1066916360 /nfs/dbraw/zinc/91/63/60/1066916360.db2.gz IYETZGALMKAWLE-MRXNPFEDSA-N 1 1 476.503 3.286 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2c(F)cccc2OC(F)F)C[C@@H]1C ZINC001301895775 1066916768 /nfs/dbraw/zinc/91/67/68/1066916768.db2.gz IYETZGALMKAWLE-INIZCTEOSA-N 1 1 476.503 3.286 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC001301895725 1066916794 /nfs/dbraw/zinc/91/67/94/1066916794.db2.gz HNHUFNSIJUQEHL-NRFANRHFSA-N 1 1 456.978 3.150 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC001301895928 1066917361 /nfs/dbraw/zinc/91/73/61/1066917361.db2.gz KHIGFHJKDYMZIU-SFHVURJKSA-N 1 1 458.994 3.173 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001301896076 1066917910 /nfs/dbraw/zinc/91/79/10/1066917910.db2.gz FADZFBHPEUAHNU-QZTJIDSGSA-N 1 1 484.542 3.125 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001301896077 1066918310 /nfs/dbraw/zinc/91/83/10/1066918310.db2.gz FADZFBHPEUAHNU-ROUUACIJSA-N 1 1 484.542 3.125 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001301896438 1066919286 /nfs/dbraw/zinc/91/92/86/1066919286.db2.gz JVFGKMCPIOFSOB-UNMCSNQZSA-N 1 1 452.603 3.306 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001301897187 1066920630 /nfs/dbraw/zinc/92/06/30/1066920630.db2.gz UAZKLTMXLJQMRN-HXUWFJFHSA-N 1 1 459.660 3.323 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001301897601 1066921426 /nfs/dbraw/zinc/92/14/26/1066921426.db2.gz YJPXNWOJPBJWSK-SZPZYZBQSA-N 1 1 482.673 3.307 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(COC)c2)C[C@H]1C ZINC001301899898 1066924743 /nfs/dbraw/zinc/92/47/43/1066924743.db2.gz HNDSCNLLPBWEIG-HXUWFJFHSA-N 1 1 450.587 3.000 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001301900428 1066925181 /nfs/dbraw/zinc/92/51/81/1066925181.db2.gz LGMXNRMMMFAKMI-OAHLLOKOSA-N 1 1 481.548 3.329 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C)ccc2OC)C[C@@H]1C ZINC001301901322 1066926640 /nfs/dbraw/zinc/92/66/40/1066926640.db2.gz QAMBGJJNHFFXSV-NRFANRHFSA-N 1 1 464.614 3.365 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC001301906399 1066931303 /nfs/dbraw/zinc/93/13/03/1066931303.db2.gz BTFPDWBMAKIQAW-OAHLLOKOSA-N 1 1 453.509 3.491 20 0 JGADMO COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301909371 1066932893 /nfs/dbraw/zinc/93/28/93/1066932893.db2.gz AHUYDQBKLTZLBQ-XXBNENTESA-N 1 1 490.643 3.424 20 0 JGADMO COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301909371 1066932899 /nfs/dbraw/zinc/93/28/99/1066932899.db2.gz AHUYDQBKLTZLBQ-XXBNENTESA-N 1 1 490.643 3.424 20 0 JGADMO CC(C)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCOCC1 ZINC001302334043 1066933210 /nfs/dbraw/zinc/93/32/10/1066933210.db2.gz ABQPEAOJTCTUCH-UHFFFAOYSA-N 1 1 481.428 3.064 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC001301910111 1066934752 /nfs/dbraw/zinc/93/47/52/1066934752.db2.gz HMUVKSARSNUKIB-XMMPIXPASA-N 1 1 482.673 3.074 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC001301910107 1066934943 /nfs/dbraw/zinc/93/49/43/1066934943.db2.gz HMUVKSARSNUKIB-DEOSSOPVSA-N 1 1 482.673 3.074 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC001301910187 1066934960 /nfs/dbraw/zinc/93/49/60/1066934960.db2.gz USSDPXMDWBOONK-GJZGRUSLSA-N 1 1 459.538 3.068 20 0 JGADMO CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(F)(F)F ZINC001302340403 1066938827 /nfs/dbraw/zinc/93/88/27/1066938827.db2.gz CRQJKPICRGMTDD-SFHVURJKSA-N 1 1 491.624 3.471 20 0 JGADMO CC(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301912300 1066938919 /nfs/dbraw/zinc/93/89/19/1066938919.db2.gz CWWSJZABPNERPC-RTBURBONSA-N 1 1 472.609 3.394 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ncccc2C)C[C@@H]1C ZINC001301912406 1066938938 /nfs/dbraw/zinc/93/89/38/1066938938.db2.gz QKXWRWHQNFWPNI-SFHVURJKSA-N 1 1 456.541 3.056 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(OC)CCCCC2)CC1 ZINC001301912431 1066939000 /nfs/dbraw/zinc/93/90/00/1066939000.db2.gz RCYMZZIHJFMKKQ-UHFFFAOYSA-N 1 1 463.573 3.265 20 0 JGADMO CC(C)(Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001302341499 1066940050 /nfs/dbraw/zinc/94/00/50/1066940050.db2.gz JTNPEYDSRKFCOV-LJQANCHMSA-N 1 1 463.573 3.492 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301913580 1066941132 /nfs/dbraw/zinc/94/11/32/1066941132.db2.gz VHMUCAVNWZPYCJ-LEWJYISDSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccn(Cc3ccccc3)n2)C[C@@H]1C ZINC001301913147 1066941168 /nfs/dbraw/zinc/94/11/68/1066941168.db2.gz UMTUVMHPFNTBMV-NRFANRHFSA-N 1 1 465.646 3.317 20 0 JGADMO CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302348782 1066943844 /nfs/dbraw/zinc/94/38/44/1066943844.db2.gz SYPLIAQOBKZFTD-OTWHNJEPSA-N 1 1 480.654 3.341 20 0 JGADMO CON(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302348780 1066943907 /nfs/dbraw/zinc/94/39/07/1066943907.db2.gz SYPLIAQOBKZFTD-CEXWTWQISA-N 1 1 480.654 3.341 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2cccc(C)c2)C[C@@H]1C ZINC001301914418 1066943922 /nfs/dbraw/zinc/94/39/22/1066943922.db2.gz POMQBMCNSHEMJC-FUDKSRODSA-N 1 1 457.619 3.453 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001301915650 1066945831 /nfs/dbraw/zinc/94/58/31/1066945831.db2.gz TVJOWKRMVIFQOE-MJGOQNOKSA-N 1 1 467.536 3.396 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2ccccc2Cl)C[C@H]1C ZINC001301916147 1066946408 /nfs/dbraw/zinc/94/64/08/1066946408.db2.gz VVCOKKBYXGGBIP-UTSGNWPNSA-N 1 1 478.037 3.238 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001301918449 1066949350 /nfs/dbraw/zinc/94/93/50/1066949350.db2.gz CEKAARVMSAYAFS-UKILVPOCSA-N 1 1 468.690 3.455 20 0 JGADMO CON(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302358900 1066949940 /nfs/dbraw/zinc/94/99/40/1066949940.db2.gz VMGZPXCHDIRPTD-QHCPKHFHSA-N 1 1 469.678 3.008 20 0 JGADMO CON(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302358900 1066949947 /nfs/dbraw/zinc/94/99/47/1066949947.db2.gz VMGZPXCHDIRPTD-QHCPKHFHSA-N 1 1 469.678 3.008 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001301918871 1066950177 /nfs/dbraw/zinc/95/01/77/1066950177.db2.gz DTHCOCKOAYZCSP-SFHVURJKSA-N 1 1 484.670 3.350 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC001301918919 1066950331 /nfs/dbraw/zinc/95/03/31/1066950331.db2.gz FCXUVSJFBQBRKS-JOCHJYFZSA-N 1 1 471.005 3.073 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001301918885 1066950346 /nfs/dbraw/zinc/95/03/46/1066950346.db2.gz DVAXXDJBOCXCNU-VWLOTQADSA-N 1 1 459.610 3.108 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2CC2(COC)CCCCC2)C[C@H]1C ZINC001301919763 1066952067 /nfs/dbraw/zinc/95/20/67/1066952067.db2.gz UKSUKDALSIQPAL-OAQYLSRUSA-N 1 1 456.635 3.018 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919716 1066952428 /nfs/dbraw/zinc/95/24/28/1066952428.db2.gz JZKUITKMRWOEES-XUZZJYLKSA-N 1 1 484.689 3.155 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919716 1066952436 /nfs/dbraw/zinc/95/24/36/1066952436.db2.gz JZKUITKMRWOEES-XUZZJYLKSA-N 1 1 484.689 3.155 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001301920420 1066953418 /nfs/dbraw/zinc/95/34/18/1066953418.db2.gz XXNBFRGJIZGQNJ-SFHVURJKSA-N 1 1 489.546 3.077 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001302363922 1066954036 /nfs/dbraw/zinc/95/40/36/1066954036.db2.gz MLDCVLMOJJJLAK-FUHWJXTLSA-N 1 1 465.440 3.392 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001301920901 1066954180 /nfs/dbraw/zinc/95/41/80/1066954180.db2.gz DNQKQKDLLNAHCE-INIZCTEOSA-N 1 1 460.673 3.403 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCSCC(F)(F)F)C[C@H]1C ZINC001301921209 1066954932 /nfs/dbraw/zinc/95/49/32/1066954932.db2.gz RHRZGDOYQXDRKG-MRXNPFEDSA-N 1 1 475.556 3.460 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001302364794 1066954933 /nfs/dbraw/zinc/95/49/33/1066954933.db2.gz VEDASVACJCBNCL-GOSISDBHSA-N 1 1 459.392 3.393 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)c2cccs2)C[C@@H]1C ZINC001301921305 1066955170 /nfs/dbraw/zinc/95/51/70/1066955170.db2.gz SOEFRLCEUOJGHM-MHECFPHRSA-N 1 1 473.618 3.134 20 0 JGADMO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302366764 1066956044 /nfs/dbraw/zinc/95/60/44/1066956044.db2.gz SAYMCTIMWMKQCN-VLCRHTCISA-N 1 1 461.582 3.139 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001301923026 1066957049 /nfs/dbraw/zinc/95/70/49/1066957049.db2.gz POILXFWERHXKFA-HSZRJFAPSA-N 1 1 476.046 3.260 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CCCc2cccc(C)n2)C[C@@H]1C ZINC001301922963 1066957183 /nfs/dbraw/zinc/95/71/83/1066957183.db2.gz NYFDWQVXYMCOMS-FQEVSTJZSA-N 1 1 454.644 3.424 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)c2nccs2)C[C@H]1C ZINC001301926898 1066960467 /nfs/dbraw/zinc/96/04/67/1066960467.db2.gz PDJQOECAFGPMTP-VQTJNVASSA-N 1 1 454.644 3.480 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2ccccn2)C[C@@H]1C ZINC001301927312 1066961319 /nfs/dbraw/zinc/96/13/19/1066961319.db2.gz BLRNGHBBUMASSR-QFIPXVFZSA-N 1 1 464.614 3.269 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2sc(C)nc2C)C[C@@H]1C ZINC001301927387 1066962130 /nfs/dbraw/zinc/96/21/30/1066962130.db2.gz DTHFNCDYVGGCRK-SFHVURJKSA-N 1 1 470.643 3.444 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302380346 1066964080 /nfs/dbraw/zinc/96/40/80/1066964080.db2.gz KMBITDZLEUTCPP-RTWAWAEBSA-N 1 1 464.010 3.092 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2[C@@H]2C[C@H]2CF)C[C@@H]1C ZINC001301927959 1066964575 /nfs/dbraw/zinc/96/45/75/1066964575.db2.gz QCVHZLWFZZIKLQ-TXPKVOOTSA-N 1 1 482.398 3.307 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001301927980 1066964591 /nfs/dbraw/zinc/96/45/91/1066964591.db2.gz QMOYRVRVWCSYPI-PKOBYXMFSA-N 1 1 451.974 3.417 20 0 JGADMO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001301928040 1066965191 /nfs/dbraw/zinc/96/51/91/1066965191.db2.gz RQIKDCKODPJZIZ-DNQXCXABSA-N 1 1 484.689 3.443 20 0 JGADMO COCCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001301928040 1066965199 /nfs/dbraw/zinc/96/51/99/1066965199.db2.gz RQIKDCKODPJZIZ-DNQXCXABSA-N 1 1 484.689 3.443 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001301928010 1066965374 /nfs/dbraw/zinc/96/53/74/1066965374.db2.gz RHFRZPCGOQCHIQ-VXKWHMMOSA-N 1 1 457.619 3.057 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(Cl)cc2)C[C@@H]1C ZINC001301930336 1066967661 /nfs/dbraw/zinc/96/76/61/1066967661.db2.gz LJTHQTFDZXQFHW-VCOUNFBDSA-N 1 1 478.037 3.055 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCS2)CC1 ZINC001301930468 1066968134 /nfs/dbraw/zinc/96/81/34/1066968134.db2.gz LSHNIPCDNPELIP-HSALFYBXSA-N 1 1 494.706 3.103 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cscc2C)CC1 ZINC001301930933 1066968207 /nfs/dbraw/zinc/96/82/07/1066968207.db2.gz MZVDTTBNKHNODN-PUZFROQSSA-N 1 1 490.674 3.235 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2OCC[C@H]2C)C[C@H]1C ZINC001301931131 1066968783 /nfs/dbraw/zinc/96/87/83/1066968783.db2.gz BLUMKQVHBSATLC-DBXWQHBBSA-N 1 1 464.010 3.092 20 0 JGADMO CC(C)=CCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001302388743 1066969599 /nfs/dbraw/zinc/96/95/99/1066969599.db2.gz GUNGGKZXBHFESQ-QHCPKHFHSA-N 1 1 466.630 3.265 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001301932064 1066970578 /nfs/dbraw/zinc/97/05/78/1066970578.db2.gz VOKIHFNJTFCKQW-UYAOXDASSA-N 1 1 488.702 3.063 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCSC)CC1 ZINC001301932704 1066970950 /nfs/dbraw/zinc/97/09/50/1066970950.db2.gz ISXPYNYNDHTDIU-IBGZPJMESA-N 1 1 482.695 3.262 20 0 JGADMO CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001302390514 1066970959 /nfs/dbraw/zinc/97/09/59/1066970959.db2.gz OBCUKMRUCQGMJL-YADHBBJMSA-N 1 1 470.662 3.286 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@H]1C ZINC001301932669 1066971155 /nfs/dbraw/zinc/97/11/55/1066971155.db2.gz ICECYAUSXDGZPH-JXALWOEJSA-N 1 1 475.609 3.214 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301933272 1066971978 /nfs/dbraw/zinc/97/19/78/1066971978.db2.gz MQVKYKGRCQAWEN-UEQSERJNSA-N 1 1 490.737 3.333 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001301933487 1066972426 /nfs/dbraw/zinc/97/24/26/1066972426.db2.gz NWZOPKDQPZTRSU-AABGKKOBSA-N 1 1 475.609 3.357 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001301933677 1066973254 /nfs/dbraw/zinc/97/32/54/1066973254.db2.gz QLLKSDVUPBBBRD-UAFMIMERSA-N 1 1 483.748 3.202 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2CC(F)(F)C2)CC1 ZINC001301933619 1066973480 /nfs/dbraw/zinc/97/34/80/1066973480.db2.gz QBTWWJBMSHCETA-UHFFFAOYSA-N 1 1 467.586 3.393 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)cc2)C[C@H]1C ZINC001301933715 1066973951 /nfs/dbraw/zinc/97/39/51/1066973951.db2.gz RBBQWMVRIBROEO-UEVCKROQSA-N 1 1 471.646 3.411 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCSC2)C[C@H]1C ZINC001301934255 1066974333 /nfs/dbraw/zinc/97/43/33/1066974333.db2.gz WSVBJXYIGLDWAD-RTBURBONSA-N 1 1 477.700 3.489 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCSC2)C[C@@H]1C ZINC001301934253 1066974452 /nfs/dbraw/zinc/97/44/52/1066974452.db2.gz WSVBJXYIGLDWAD-OALUTQOASA-N 1 1 477.700 3.489 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001301934476 1066974887 /nfs/dbraw/zinc/97/48/87/1066974887.db2.gz ZFAWNJZXMPQWFH-PMACEKPBSA-N 1 1 494.681 3.180 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001301934478 1066975133 /nfs/dbraw/zinc/97/51/33/1066975133.db2.gz ZIFKZPNBFYDOMI-NQSCKRDGSA-N 1 1 474.650 3.374 20 0 JGADMO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001301937394 1066980679 /nfs/dbraw/zinc/98/06/79/1066980679.db2.gz KWMDDVIXXFPIPC-VXKWHMMOSA-N 1 1 482.673 3.495 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C3CCC3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001301938366 1066982567 /nfs/dbraw/zinc/98/25/67/1066982567.db2.gz BPQCPMIWBFCPMX-JAXLGGSGSA-N 1 1 460.667 3.178 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001302402528 1066982596 /nfs/dbraw/zinc/98/25/96/1066982596.db2.gz VVQSSPHSTUZTBJ-UHFFFAOYSA-N 1 1 492.466 3.215 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001302405961 1066987642 /nfs/dbraw/zinc/98/76/42/1066987642.db2.gz NDAPPFCBARXSGM-BHIFYINESA-N 1 1 484.645 3.118 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001301943938 1066995113 /nfs/dbraw/zinc/99/51/13/1066995113.db2.gz JQCFBXDNDHPURE-QHCPKHFHSA-N 1 1 496.700 3.119 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302412069 1066996916 /nfs/dbraw/zinc/99/69/16/1066996916.db2.gz RKAKSVRTNITBTR-OAQYLSRUSA-N 1 1 467.593 3.285 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001302417905 1067001147 /nfs/dbraw/zinc/00/11/47/1067001147.db2.gz BHQLBCJNURSOCK-MOPGFXCFSA-N 1 1 472.609 3.220 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1OC ZINC001302418292 1067001992 /nfs/dbraw/zinc/00/19/92/1067001992.db2.gz FTGTUBVXPVNFQG-OFAXGOBFSA-N 1 1 457.619 3.056 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001302422074 1067008288 /nfs/dbraw/zinc/00/82/88/1067008288.db2.gz GDGJLYRYUHYOLC-OAQYLSRUSA-N 1 1 460.667 3.383 20 0 JGADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303958761 1067013518 /nfs/dbraw/zinc/01/35/18/1067013518.db2.gz HLLUEQMDIRVDRX-VQTJNVASSA-N 1 1 460.667 3.035 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001303959297 1067013790 /nfs/dbraw/zinc/01/37/90/1067013790.db2.gz KFIMDIKQTSTVER-OAHLLOKOSA-N 1 1 493.425 3.280 20 0 JGADMO CC1(C)CCC[N@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303960768 1067015223 /nfs/dbraw/zinc/01/52/23/1067015223.db2.gz XBHBBIXLSCRUPY-DLBZAZTESA-N 1 1 477.597 3.081 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303960768 1067015235 /nfs/dbraw/zinc/01/52/35/1067015235.db2.gz XBHBBIXLSCRUPY-DLBZAZTESA-N 1 1 477.597 3.081 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001303967699 1067019064 /nfs/dbraw/zinc/01/90/64/1067019064.db2.gz DWRBAYNCWWPRJB-LJQANCHMSA-N 1 1 474.675 3.395 20 0 JGADMO CC1(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CCS1 ZINC001303968008 1067019569 /nfs/dbraw/zinc/01/95/69/1067019569.db2.gz FZQMRMHLFNCUSH-UHFFFAOYSA-N 1 1 495.118 3.242 20 0 JGADMO CC[N@H+]1CCC[C@H](NC(=O)Cc2cc(Br)cc(I)c2)C1 ZINC001303981191 1067028290 /nfs/dbraw/zinc/02/82/90/1067028290.db2.gz ODXMAXUPFYWKFE-AWEZNQCLSA-N 1 1 451.146 3.197 20 0 JGADMO CC1(C)COCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001303981684 1067029485 /nfs/dbraw/zinc/02/94/85/1067029485.db2.gz PGKKFTBATOWPCT-UHFFFAOYSA-N 1 1 453.513 3.015 20 0 JGADMO CC1(C)COCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001303981684 1067029498 /nfs/dbraw/zinc/02/94/98/1067029498.db2.gz PGKKFTBATOWPCT-UHFFFAOYSA-N 1 1 453.513 3.015 20 0 JGADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCCCO)C1 ZINC001303996800 1067038438 /nfs/dbraw/zinc/03/84/38/1067038438.db2.gz IPPIFUAUGZQXEX-QFIPXVFZSA-N 1 1 478.435 3.171 20 0 JGADMO CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001303996985 1067038686 /nfs/dbraw/zinc/03/86/86/1067038686.db2.gz PQPFNIDYGCAAHX-HXUWFJFHSA-N 1 1 476.666 3.276 20 0 JGADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc([C@H]3CCCCO3)n2CCSCC(F)(F)F)C1 ZINC001303997756 1067040088 /nfs/dbraw/zinc/04/00/88/1067040088.db2.gz MMXHOQFEASKHSE-VQIMIIECSA-N 1 1 463.570 3.116 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)=C(Br)C1 ZINC001303999479 1067042651 /nfs/dbraw/zinc/04/26/51/1067042651.db2.gz URIRIFLSZJAVEQ-UHFFFAOYSA-N 1 1 485.390 3.400 20 0 JGADMO CC(C)C(=O)NCCCn1c(-c2cccnc2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001302446221 1067045113 /nfs/dbraw/zinc/04/51/13/1067045113.db2.gz NBLSZCMYKFHVEX-HSZRJFAPSA-N 1 1 461.614 3.213 20 0 JGADMO CC1=C(Br)CN(c2nnc(Cc3ccncc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001304005155 1067047670 /nfs/dbraw/zinc/04/76/70/1067047670.db2.gz RUOXHNBYTNFBBA-UHFFFAOYSA-N 1 1 488.478 3.169 20 0 JGADMO CC1=C(Br)CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001304005155 1067047687 /nfs/dbraw/zinc/04/76/87/1067047687.db2.gz RUOXHNBYTNFBBA-UHFFFAOYSA-N 1 1 488.478 3.169 20 0 JGADMO CC1=C(Br)CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001304005155 1067047705 /nfs/dbraw/zinc/04/77/05/1067047705.db2.gz RUOXHNBYTNFBBA-UHFFFAOYSA-N 1 1 488.478 3.169 20 0 JGADMO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001304005580 1067048266 /nfs/dbraw/zinc/04/82/66/1067048266.db2.gz GEMFHZNGFWVDOA-HSZRJFAPSA-N 1 1 486.661 3.134 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302451948 1067053287 /nfs/dbraw/zinc/05/32/87/1067053287.db2.gz NSXIQXYLHAABDY-QHCPKHFHSA-N 1 1 491.061 3.088 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1C ZINC001304011728 1067054906 /nfs/dbraw/zinc/05/49/06/1067054906.db2.gz YASILSZPRBSHIB-HSZRJFAPSA-N 1 1 495.672 3.180 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304012903 1067056347 /nfs/dbraw/zinc/05/63/47/1067056347.db2.gz ICPMQJIFEAMCEO-XZOQPEGZSA-N 1 1 498.672 3.221 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304013576 1067057089 /nfs/dbraw/zinc/05/70/89/1067057089.db2.gz LPTFPJYREUEGAM-XZOQPEGZSA-N 1 1 484.645 3.178 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)c1C ZINC001304013792 1067057356 /nfs/dbraw/zinc/05/73/56/1067057356.db2.gz FLWUCJAPUDMUSI-UGKGYDQZSA-N 1 1 479.629 3.430 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304016002 1067059210 /nfs/dbraw/zinc/05/92/10/1067059210.db2.gz SGDGZGJUYXZIEC-RLWLMLJZSA-N 1 1 481.645 3.088 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCC2)c1C ZINC001304016776 1067060079 /nfs/dbraw/zinc/06/00/79/1067060079.db2.gz AVTBHYMMAMWCOU-VWPQPMDRSA-N 1 1 471.646 3.495 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCC2)c1C ZINC001304016776 1067060092 /nfs/dbraw/zinc/06/00/92/1067060092.db2.gz AVTBHYMMAMWCOU-VWPQPMDRSA-N 1 1 471.646 3.495 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCn3cccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC001304017027 1067060806 /nfs/dbraw/zinc/06/08/06/1067060806.db2.gz CPOATZSYVIPJGE-QHCPKHFHSA-N 1 1 494.688 3.394 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(N)=O)CC3)n2CC[N@H+]2CCC[C@H](C)C2)c1C ZINC001304020386 1067064459 /nfs/dbraw/zinc/06/44/59/1067064459.db2.gz NMSYHJWCUNINPC-RXVVDRJESA-N 1 1 468.646 3.469 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCC(=O)NC(C)C)c1C ZINC001304021269 1067066004 /nfs/dbraw/zinc/06/60/04/1067066004.db2.gz YAMAVYWGGWQGQV-WWNPGLIZSA-N 1 1 498.672 3.107 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2C[C@H](C)C[NH+]2CCOCC2)c1C ZINC001304026252 1067073093 /nfs/dbraw/zinc/07/30/93/1067073093.db2.gz PLZHFWRQKQYSFI-KNQAVFIVSA-N 1 1 457.619 3.230 20 0 JGADMO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001302471376 1067075687 /nfs/dbraw/zinc/07/56/87/1067075687.db2.gz QXNTWBBOXHEMDI-GGAORHGYSA-N 1 1 467.662 3.127 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001304030911 1067078901 /nfs/dbraw/zinc/07/89/01/1067078901.db2.gz RCFRZMMTGBQVCK-YADHBBJMSA-N 1 1 468.646 3.339 20 0 JGADMO CC(C)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001302479397 1067080219 /nfs/dbraw/zinc/08/02/19/1067080219.db2.gz QJNNSTFBGBDMBM-UHFFFAOYSA-N 1 1 471.650 3.402 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CC(=O)NC(C)C)c1C ZINC001304031972 1067080823 /nfs/dbraw/zinc/08/08/23/1067080823.db2.gz YQFRYQRDWLKJBX-IRLDBZIGSA-N 1 1 498.672 3.249 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001304031932 1067080950 /nfs/dbraw/zinc/08/09/50/1067080950.db2.gz YKBVJYAODRQVGC-FGZHOGPDSA-N 1 1 483.661 3.321 20 0 JGADMO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001304032253 1067081348 /nfs/dbraw/zinc/08/13/48/1067081348.db2.gz UEMFKMOFSGPNGU-GOSISDBHSA-N 1 1 463.424 3.429 20 0 JGADMO Cc1nc(CCn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)sc1C ZINC001304046353 1067089423 /nfs/dbraw/zinc/08/94/23/1067089423.db2.gz PZYVQOHKWOWHAW-IBGZPJMESA-N 1 1 462.664 3.035 20 0 JGADMO Cc1nc(CCn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)sc1C ZINC001304046353 1067089443 /nfs/dbraw/zinc/08/94/43/1067089443.db2.gz PZYVQOHKWOWHAW-IBGZPJMESA-N 1 1 462.664 3.035 20 0 JGADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[N@H+](C)C(C)C ZINC001304057927 1067099730 /nfs/dbraw/zinc/09/97/30/1067099730.db2.gz APAWXBHAZBIERQ-GOSISDBHSA-N 1 1 467.643 3.384 20 0 JGADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[N@H+](C)C(C)C ZINC001304057928 1067099752 /nfs/dbraw/zinc/09/97/52/1067099752.db2.gz APAWXBHAZBIERQ-SFHVURJKSA-N 1 1 467.643 3.384 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302503218 1067102929 /nfs/dbraw/zinc/10/29/29/1067102929.db2.gz IQFAFWOGXDEHSP-OAQYLSRUSA-N 1 1 482.673 3.433 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302503218 1067102933 /nfs/dbraw/zinc/10/29/33/1067102933.db2.gz IQFAFWOGXDEHSP-OAQYLSRUSA-N 1 1 482.673 3.433 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302505153 1067107362 /nfs/dbraw/zinc/10/73/62/1067107362.db2.gz SDYQBUMXEGIWQN-AREMUKBSSA-N 1 1 468.646 3.235 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302505153 1067107369 /nfs/dbraw/zinc/10/73/69/1067107369.db2.gz SDYQBUMXEGIWQN-AREMUKBSSA-N 1 1 468.646 3.235 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304073233 1067117349 /nfs/dbraw/zinc/11/73/49/1067117349.db2.gz DQFLCOLSTFSXNX-HDICACEKSA-N 1 1 459.664 3.283 20 0 JGADMO Cc1c(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)cnn1C ZINC001304076258 1067120489 /nfs/dbraw/zinc/12/04/89/1067120489.db2.gz KUDBHDOFKQNUBZ-MRXNPFEDSA-N 1 1 485.036 3.023 20 0 JGADMO Cc1ncsc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304087736 1067132158 /nfs/dbraw/zinc/13/21/58/1067132158.db2.gz FSQWYMGZHFYPGB-JZXOWHBKSA-N 1 1 459.664 3.387 20 0 JGADMO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302515667 1067134515 /nfs/dbraw/zinc/13/45/15/1067134515.db2.gz LXMPYGIHLDGDJV-RTWAWAEBSA-N 1 1 476.666 3.396 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(Cc2cccnc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001304092380 1067135778 /nfs/dbraw/zinc/13/57/78/1067135778.db2.gz WXHGZGYMZSCRJK-FQEVSTJZSA-N 1 1 455.632 3.022 20 0 JGADMO Cc1c(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC001304093806 1067137522 /nfs/dbraw/zinc/13/75/22/1067137522.db2.gz UDTVRTPNUJYMHJ-FQEVSTJZSA-N 1 1 487.599 3.182 20 0 JGADMO CSC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001302518848 1067138578 /nfs/dbraw/zinc/13/85/78/1067138578.db2.gz PAANRPHACLIDHE-JOCHJYFZSA-N 1 1 472.703 3.318 20 0 JGADMO Cc1c(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1CC(C)C ZINC001304099305 1067142149 /nfs/dbraw/zinc/14/21/49/1067142149.db2.gz XEIFUOXLXILLJU-DEOSSOPVSA-N 1 1 492.672 3.336 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCOc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC001302523079 1067143277 /nfs/dbraw/zinc/14/32/77/1067143277.db2.gz HXNLYYHAVHCODK-UGKGYDQZSA-N 1 1 478.037 3.307 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCOc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC001302523077 1067143298 /nfs/dbraw/zinc/14/32/98/1067143298.db2.gz HXNLYYHAVHCODK-SIKLNZKXSA-N 1 1 478.037 3.307 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCCOC1)[NH+]1CCOCC1 ZINC001302523998 1067145253 /nfs/dbraw/zinc/14/52/53/1067145253.db2.gz AZCDXJXMIRCRRD-NZQKXSOJSA-N 1 1 459.610 3.228 20 0 JGADMO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001302525072 1067146552 /nfs/dbraw/zinc/14/65/52/1067146552.db2.gz ANEFTCFATCQADJ-QRVBRYPASA-N 1 1 494.706 3.401 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302525280 1067147948 /nfs/dbraw/zinc/14/79/48/1067147948.db2.gz RKOJSWVFCJSQBA-VQTJNVASSA-N 1 1 478.682 3.327 20 0 JGADMO CSC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001302525792 1067149246 /nfs/dbraw/zinc/14/92/46/1067149246.db2.gz GFNWDBNHSCOSPK-RTBURBONSA-N 1 1 494.706 3.403 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccnn2C)CC1)[NH+]1CCOCC1 ZINC001302527533 1067154190 /nfs/dbraw/zinc/15/41/90/1067154190.db2.gz YHOZTBJCFRTNHQ-JOCHJYFZSA-N 1 1 457.667 3.341 20 0 JGADMO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001302529175 1067158477 /nfs/dbraw/zinc/15/84/77/1067158477.db2.gz SVRXDUVSUBSHQL-GOSISDBHSA-N 1 1 460.648 3.005 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC001302531349 1067160331 /nfs/dbraw/zinc/16/03/31/1067160331.db2.gz IEGOECIKESNVNL-CEXWTWQISA-N 1 1 455.594 3.399 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001302531667 1067160642 /nfs/dbraw/zinc/16/06/42/1067160642.db2.gz NKSIBJOTHUZSOQ-QPTUXGOLSA-N 1 1 498.672 3.142 20 0 JGADMO CSC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001302533259 1067162478 /nfs/dbraw/zinc/16/24/78/1067162478.db2.gz IARVKBSKOWTBBJ-OAQYLSRUSA-N 1 1 492.759 3.303 20 0 JGADMO Cc1ccsc1Cn1c(N(C)CC[N@@H+]2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304126666 1067165117 /nfs/dbraw/zinc/16/51/17/1067165117.db2.gz SNBJROZUHRRAQJ-DEOSSOPVSA-N 1 1 477.675 3.284 20 0 JGADMO Cc1ccsc1Cn1c(N(C)CC[N@H+]2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304126666 1067165121 /nfs/dbraw/zinc/16/51/21/1067165121.db2.gz SNBJROZUHRRAQJ-DEOSSOPVSA-N 1 1 477.675 3.284 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304133838 1067172511 /nfs/dbraw/zinc/17/25/11/1067172511.db2.gz OAVIOFYTQYNADX-UHFFFAOYSA-N 1 1 455.651 3.119 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304133838 1067172515 /nfs/dbraw/zinc/17/25/15/1067172515.db2.gz OAVIOFYTQYNADX-UHFFFAOYSA-N 1 1 455.651 3.119 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304133838 1067172519 /nfs/dbraw/zinc/17/25/19/1067172519.db2.gz OAVIOFYTQYNADX-UHFFFAOYSA-N 1 1 455.651 3.119 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001304135909 1067174180 /nfs/dbraw/zinc/17/41/80/1067174180.db2.gz KGSGJNWALONSRM-DENIHFKCSA-N 1 1 495.672 3.213 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001304136277 1067174979 /nfs/dbraw/zinc/17/49/79/1067174979.db2.gz NCKLKXNQIVVAER-UHFFFAOYSA-N 1 1 454.619 3.348 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001304136277 1067174981 /nfs/dbraw/zinc/17/49/81/1067174981.db2.gz NCKLKXNQIVVAER-UHFFFAOYSA-N 1 1 454.619 3.348 20 0 JGADMO CS[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001302548076 1067184107 /nfs/dbraw/zinc/18/41/07/1067184107.db2.gz MLFFWXIRVYGBAU-ZWKOTPCHSA-N 1 1 477.700 3.411 20 0 JGADMO CN1CC[NH+](Cc2ccc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2)CC1 ZINC001302549319 1067185852 /nfs/dbraw/zinc/18/58/52/1067185852.db2.gz MZUQYDXZJNDTBV-UADZTWIMSA-N 1 1 456.631 3.342 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(Cc4ccncc4)n3CC[N@H+](C)C(C)C)CC2)c(C)o1 ZINC001304147412 1067193056 /nfs/dbraw/zinc/19/30/56/1067193056.db2.gz RPSFRAVSFGFYGJ-UHFFFAOYSA-N 1 1 479.629 3.213 20 0 JGADMO CS[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001302557590 1067196974 /nfs/dbraw/zinc/19/69/74/1067196974.db2.gz HLPODBFGJBASOB-GIVPXCGWSA-N 1 1 477.700 3.033 20 0 JGADMO CS[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001302557590 1067196983 /nfs/dbraw/zinc/19/69/83/1067196983.db2.gz HLPODBFGJBASOB-GIVPXCGWSA-N 1 1 477.700 3.033 20 0 JGADMO Cc1cc([C@@](C)(O)Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304151719 1067197500 /nfs/dbraw/zinc/19/75/00/1067197500.db2.gz IMWXPCZKTMNQBS-NVQXNPDNSA-N 1 1 489.661 3.432 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001302563619 1067203332 /nfs/dbraw/zinc/20/33/32/1067203332.db2.gz SSHOVKBCKIQATR-ZWKOTPCHSA-N 1 1 457.710 3.021 20 0 JGADMO Cc1cc(C)c(Cn2c(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001304163454 1067210360 /nfs/dbraw/zinc/21/03/60/1067210360.db2.gz YVRSKBQWYJAIGO-JOCHJYFZSA-N 1 1 452.647 3.292 20 0 JGADMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)ccc2OC)cc1 ZINC001302571214 1067210842 /nfs/dbraw/zinc/21/08/42/1067210842.db2.gz UBMKPHKRYJFLJD-TZIWHRDSSA-N 1 1 457.596 3.225 20 0 JGADMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)ccc2OC)cc1 ZINC001302571214 1067210848 /nfs/dbraw/zinc/21/08/48/1067210848.db2.gz UBMKPHKRYJFLJD-TZIWHRDSSA-N 1 1 457.596 3.225 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302573414 1067212647 /nfs/dbraw/zinc/21/26/47/1067212647.db2.gz VFOSMPVGCQTNCL-CEMLEFRQSA-N 1 1 459.660 3.326 20 0 JGADMO CC(C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ccnc(OC2CCOCC2)c1 ZINC001302572478 1067212679 /nfs/dbraw/zinc/21/26/79/1067212679.db2.gz JKGDXQFUIDFWES-UHFFFAOYSA-N 1 1 486.661 3.197 20 0 JGADMO C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](Cc3cc(F)c(F)cc3F)NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC001302574627 1067213153 /nfs/dbraw/zinc/21/31/53/1067213153.db2.gz NNHPGGUKNFGZPK-KKVAFCGZSA-N 1 1 455.521 3.482 20 0 JGADMO CS[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC001302577390 1067215070 /nfs/dbraw/zinc/21/50/70/1067215070.db2.gz BIOMJJQUVWWGKK-ZGXWSNOMSA-N 1 1 453.697 3.495 20 0 JGADMO CS[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC001302577390 1067215079 /nfs/dbraw/zinc/21/50/79/1067215079.db2.gz BIOMJJQUVWWGKK-ZGXWSNOMSA-N 1 1 453.697 3.495 20 0 JGADMO CS[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001302580627 1067218674 /nfs/dbraw/zinc/21/86/74/1067218674.db2.gz NWJUBEGQAOGYIM-SLFFLAALSA-N 1 1 451.681 3.456 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H](N4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304171560 1067219296 /nfs/dbraw/zinc/21/92/96/1067219296.db2.gz RVYHQCMKNJDJAA-UKILVPOCSA-N 1 1 484.689 3.361 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001304171580 1067219647 /nfs/dbraw/zinc/21/96/47/1067219647.db2.gz SAUKTWHQHZMJMX-FCHUYYIVSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001304174918 1067223452 /nfs/dbraw/zinc/22/34/52/1067223452.db2.gz PFMBCUCWEWMZKR-NRFANRHFSA-N 1 1 468.646 3.440 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC(N4CCNC4=O)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304175641 1067224719 /nfs/dbraw/zinc/22/47/19/1067224719.db2.gz WYDMIMWBMQRJQO-UHFFFAOYSA-N 1 1 483.661 3.198 20 0 JGADMO CS[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001302587817 1067224853 /nfs/dbraw/zinc/22/48/53/1067224853.db2.gz GCOLYQUGIUUKNB-SFTDATJTSA-N 1 1 458.676 3.200 20 0 JGADMO CS[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(C)(C)C ZINC001302587832 1067225314 /nfs/dbraw/zinc/22/53/14/1067225314.db2.gz GFZHVOPSKLYRHV-RDPSFJRHSA-N 1 1 458.676 3.343 20 0 JGADMO CS[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(C)(C)C ZINC001302587833 1067225421 /nfs/dbraw/zinc/22/54/21/1067225421.db2.gz GFZHVOPSKLYRHV-YKSBVNFPSA-N 1 1 458.676 3.343 20 0 JGADMO CC(C)c1nnc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302593577 1067231744 /nfs/dbraw/zinc/23/17/44/1067231744.db2.gz QAWIJUMZQATYOS-DEOSSOPVSA-N 1 1 456.566 3.331 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001304182317 1067232040 /nfs/dbraw/zinc/23/20/40/1067232040.db2.gz NOUIZXBSYATWQZ-UHFFFAOYSA-N 1 1 479.629 3.374 20 0 JGADMO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302595225 1067232865 /nfs/dbraw/zinc/23/28/65/1067232865.db2.gz PNLZYHIEHRLKEN-FDFHNCONSA-N 1 1 454.663 3.394 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001304183373 1067234404 /nfs/dbraw/zinc/23/44/04/1067234404.db2.gz JDUGUJWYXGIOPH-HXUWFJFHSA-N 1 1 489.686 3.221 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001304192251 1067243122 /nfs/dbraw/zinc/24/31/22/1067243122.db2.gz NZPYFMUGQRZKCB-QUCCMNQESA-N 1 1 484.670 3.403 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302615137 1067249012 /nfs/dbraw/zinc/24/90/12/1067249012.db2.gz VCVYWPVPAZUIOZ-RBUKOAKNSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302615137 1067249022 /nfs/dbraw/zinc/24/90/22/1067249022.db2.gz VCVYWPVPAZUIOZ-RBUKOAKNSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302615136 1067249201 /nfs/dbraw/zinc/24/92/01/1067249201.db2.gz VCVYWPVPAZUIOZ-OALUTQOASA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302615136 1067249210 /nfs/dbraw/zinc/24/92/10/1067249210.db2.gz VCVYWPVPAZUIOZ-OALUTQOASA-N 1 1 464.655 3.252 20 0 JGADMO Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2CCCO[C@@H](C)C2)no1 ZINC001304199328 1067249578 /nfs/dbraw/zinc/24/95/78/1067249578.db2.gz YBGZYTAKYVSBQE-INIZCTEOSA-N 1 1 492.422 3.469 20 0 JGADMO CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302617068 1067250422 /nfs/dbraw/zinc/25/04/22/1067250422.db2.gz HWOSMYFBDASQQV-JOCHJYFZSA-N 1 1 481.645 3.057 20 0 JGADMO Cc1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001304203065 1067250565 /nfs/dbraw/zinc/25/05/65/1067250565.db2.gz WQWBSXWSHCZFIV-CALCHBBNSA-N 1 1 459.982 3.426 20 0 JGADMO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302617069 1067250864 /nfs/dbraw/zinc/25/08/64/1067250864.db2.gz HWOSMYFBDASQQV-QFIPXVFZSA-N 1 1 481.645 3.057 20 0 JGADMO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)no1 ZINC001304209839 1067254137 /nfs/dbraw/zinc/25/41/37/1067254137.db2.gz OCEJMWMVKVRQDM-KRWDZBQOSA-N 1 1 474.993 3.412 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302628827 1067259164 /nfs/dbraw/zinc/25/91/64/1067259164.db2.gz JUMWPMOMTMAICW-RTWAWAEBSA-N 1 1 478.682 3.332 20 0 JGADMO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302629323 1067259634 /nfs/dbraw/zinc/25/96/34/1067259634.db2.gz XEVLBUQSBHTPGZ-HXUWFJFHSA-N 1 1 476.691 3.172 20 0 JGADMO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001304218011 1067259916 /nfs/dbraw/zinc/25/99/16/1067259916.db2.gz ICXAEMHDAQHZDX-JYFHCDHNSA-N 1 1 463.603 3.431 20 0 JGADMO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302633087 1067261952 /nfs/dbraw/zinc/26/19/52/1067261952.db2.gz KORYLAPYZSSCSS-HSZRJFAPSA-N 1 1 486.636 3.176 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302633730 1067262982 /nfs/dbraw/zinc/26/29/82/1067262982.db2.gz GOGILVCXEXSYGU-XLIONFOSSA-N 1 1 460.026 3.398 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302635223 1067264436 /nfs/dbraw/zinc/26/44/36/1067264436.db2.gz QTOBFVNTBVNZSX-FGZHOGPDSA-N 1 1 484.645 3.120 20 0 JGADMO Cc1cc(Cn2c(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cs1 ZINC001304226363 1067265192 /nfs/dbraw/zinc/26/51/92/1067265192.db2.gz ZTDGAEJWLVJVDB-GLDPYIMESA-N 1 1 477.675 3.282 20 0 JGADMO Cc1cc(Cn2c(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cs1 ZINC001304226363 1067265202 /nfs/dbraw/zinc/26/52/02/1067265202.db2.gz ZTDGAEJWLVJVDB-GLDPYIMESA-N 1 1 477.675 3.282 20 0 JGADMO CC(C)c1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302639326 1067268623 /nfs/dbraw/zinc/26/86/23/1067268623.db2.gz ZXHHMYYEKUHPSZ-XUZZJYLKSA-N 1 1 462.038 3.086 20 0 JGADMO CC(C)c1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302639325 1067268780 /nfs/dbraw/zinc/26/87/80/1067268780.db2.gz ZXHHMYYEKUHPSZ-URXFXBBRSA-N 1 1 462.038 3.086 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC(=O)NC(C)C ZINC001304232963 1067270980 /nfs/dbraw/zinc/27/09/80/1067270980.db2.gz PFVVRQXWRLXUID-OAQYLSRUSA-N 1 1 489.064 3.451 20 0 JGADMO Cc1cc(F)cc2c1CN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC001304233462 1067272081 /nfs/dbraw/zinc/27/20/81/1067272081.db2.gz DKYINOYMQSKXNC-UWJYYQICSA-N 1 1 492.665 3.019 20 0 JGADMO Cc1cc(F)cc2c1CN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC001304233460 1067272106 /nfs/dbraw/zinc/27/21/06/1067272106.db2.gz DKYINOYMQSKXNC-LAUBAEHRSA-N 1 1 492.665 3.019 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302654323 1067281853 /nfs/dbraw/zinc/28/18/53/1067281853.db2.gz GQGIHLPCBFTRFG-PKTZIBPZSA-N 1 1 482.673 3.148 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302654841 1067283064 /nfs/dbraw/zinc/28/30/64/1067283064.db2.gz MNJKQKYBSYFWLB-DEOSSOPVSA-N 1 1 495.716 3.322 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304250220 1067285399 /nfs/dbraw/zinc/28/53/99/1067285399.db2.gz OYKMGJCDGZMOLO-FGZHOGPDSA-N 1 1 498.672 3.226 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H](C)Oc2cccc(C)c2)n1 ZINC001304251578 1067286294 /nfs/dbraw/zinc/28/62/94/1067286294.db2.gz CFXGSWUSFMYYJG-QHCPKHFHSA-N 1 1 495.672 3.463 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H](C)Oc2cccc(C)c2)n1 ZINC001304251578 1067286301 /nfs/dbraw/zinc/28/63/01/1067286301.db2.gz CFXGSWUSFMYYJG-QHCPKHFHSA-N 1 1 495.672 3.463 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302658848 1067286559 /nfs/dbraw/zinc/28/65/59/1067286559.db2.gz DBPNNGRJPKJLDM-OAQYLSRUSA-N 1 1 491.459 3.461 20 0 JGADMO CC(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001302664498 1067292134 /nfs/dbraw/zinc/29/21/34/1067292134.db2.gz KUSVOVMUTVCORN-UHFFFAOYSA-N 1 1 493.027 3.408 20 0 JGADMO CC(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001302664498 1067292138 /nfs/dbraw/zinc/29/21/38/1067292138.db2.gz KUSVOVMUTVCORN-UHFFFAOYSA-N 1 1 493.027 3.408 20 0 JGADMO CC(C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302665446 1067292928 /nfs/dbraw/zinc/29/29/28/1067292928.db2.gz UNDKVXJCNGJHDW-UHFFFAOYSA-N 1 1 480.579 3.356 20 0 JGADMO Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CCn3cc[nH+]c3C)CC2)s1 ZINC001304259727 1067294122 /nfs/dbraw/zinc/29/41/22/1067294122.db2.gz GUMFSLLZHWLGGO-UHFFFAOYSA-N 1 1 455.632 3.404 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302667358 1067294685 /nfs/dbraw/zinc/29/46/85/1067294685.db2.gz XVBHNRHXNZWXSY-RQTOMXEWSA-N 1 1 495.734 3.397 20 0 JGADMO Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001304260282 1067294961 /nfs/dbraw/zinc/29/49/61/1067294961.db2.gz PMDDBTMWEABDDX-QGZVFWFLSA-N 1 1 456.591 3.409 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302667721 1067295124 /nfs/dbraw/zinc/29/51/24/1067295124.db2.gz YSZMBLKNTKLWSU-WGGBDISSSA-N 1 1 463.623 3.346 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302667719 1067295289 /nfs/dbraw/zinc/29/52/89/1067295289.db2.gz YSZMBLKNTKLWSU-HCLVMJGWSA-N 1 1 463.623 3.346 20 0 JGADMO CS[C@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302670745 1067296639 /nfs/dbraw/zinc/29/66/39/1067296639.db2.gz BGNIYMHFKRPCDT-PMACEKPBSA-N 1 1 460.623 3.222 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302674161 1067299903 /nfs/dbraw/zinc/29/99/03/1067299903.db2.gz JZOIHHPTPXXMRO-UHFFFAOYSA-N 1 1 473.710 3.047 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302674161 1067299907 /nfs/dbraw/zinc/29/99/07/1067299907.db2.gz JZOIHHPTPXXMRO-UHFFFAOYSA-N 1 1 473.710 3.047 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302674161 1067299913 /nfs/dbraw/zinc/29/99/13/1067299913.db2.gz JZOIHHPTPXXMRO-UHFFFAOYSA-N 1 1 473.710 3.047 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1F ZINC001304267459 1067300158 /nfs/dbraw/zinc/30/01/58/1067300158.db2.gz QWBYKRYLSOYQLC-UYAOXDASSA-N 1 1 456.610 3.417 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001302679803 1067305545 /nfs/dbraw/zinc/30/55/45/1067305545.db2.gz XYSKELBZUCVKNG-NRFANRHFSA-N 1 1 463.623 3.440 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCOC(C)C)c1 ZINC001304271156 1067306513 /nfs/dbraw/zinc/30/65/13/1067306513.db2.gz GJQXNAUMSKSERA-OAQYLSRUSA-N 1 1 457.619 3.235 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCOC(C)C)c1 ZINC001304271156 1067306525 /nfs/dbraw/zinc/30/65/25/1067306525.db2.gz GJQXNAUMSKSERA-OAQYLSRUSA-N 1 1 457.619 3.235 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCC(=O)N(C)C)c1 ZINC001304272749 1067308944 /nfs/dbraw/zinc/30/89/44/1067308944.db2.gz IVUSBVSMZRPHAZ-LEWJYISDSA-N 1 1 468.646 3.440 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001304273647 1067309932 /nfs/dbraw/zinc/30/99/32/1067309932.db2.gz KBZPSQCWZXHNJG-PMACEKPBSA-N 1 1 468.646 3.473 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304273963 1067310012 /nfs/dbraw/zinc/31/00/12/1067310012.db2.gz LWESCDNCDJRREX-OAQYLSRUSA-N 1 1 498.672 3.067 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302692251 1067317520 /nfs/dbraw/zinc/31/75/20/1067317520.db2.gz JBQGWAKGLFFNLW-UGKGYDQZSA-N 1 1 467.536 3.153 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1cccc(F)c1 ZINC001302693863 1067318783 /nfs/dbraw/zinc/31/87/83/1067318783.db2.gz XRBRIOLSIAESJP-HSZRJFAPSA-N 1 1 458.626 3.015 20 0 JGADMO Cc1ccc([C@H](Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001304278691 1067319309 /nfs/dbraw/zinc/31/93/09/1067319309.db2.gz VKRLVUYGQCXHRS-NRFANRHFSA-N 1 1 458.651 3.471 20 0 JGADMO CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001302698191 1067323380 /nfs/dbraw/zinc/32/33/80/1067323380.db2.gz IREXZMXHWTXWMW-UHFFFAOYSA-N 1 1 495.716 3.304 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001304283193 1067323994 /nfs/dbraw/zinc/32/39/94/1067323994.db2.gz RGYZLOSVBBQRAB-FCHUYYIVSA-N 1 1 468.646 3.154 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cccc(C)n2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302700276 1067324698 /nfs/dbraw/zinc/32/46/98/1067324698.db2.gz FNLKGBJMYWENEJ-OAQYLSRUSA-N 1 1 457.692 3.254 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304283848 1067325008 /nfs/dbraw/zinc/32/50/08/1067325008.db2.gz MTAFPVAYUKUBQS-CEMLEFRQSA-N 1 1 491.702 3.464 20 0 JGADMO CC(C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001302701673 1067325727 /nfs/dbraw/zinc/32/57/27/1067325727.db2.gz WEASXNADFDQNNG-QZTJIDSGSA-N 1 1 452.372 3.396 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001302701673 1067325741 /nfs/dbraw/zinc/32/57/41/1067325741.db2.gz WEASXNADFDQNNG-QZTJIDSGSA-N 1 1 452.372 3.396 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCC[NH+]1CCOCC1 ZINC001302704763 1067327127 /nfs/dbraw/zinc/32/71/27/1067327127.db2.gz NKZWBGZAPHZFMI-SFHVURJKSA-N 1 1 462.664 3.456 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302705364 1067327510 /nfs/dbraw/zinc/32/75/10/1067327510.db2.gz VUJSJJJBAFUIFJ-SIKLNZKXSA-N 1 1 463.573 3.495 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302705365 1067327581 /nfs/dbraw/zinc/32/75/81/1067327581.db2.gz VUJSJJJBAFUIFJ-UGKGYDQZSA-N 1 1 463.573 3.495 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001302706752 1067328800 /nfs/dbraw/zinc/32/88/00/1067328800.db2.gz MWBAASAFJZWAFU-QHAWAJNXSA-N 1 1 477.700 3.123 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001304287671 1067330548 /nfs/dbraw/zinc/33/05/48/1067330548.db2.gz JDXNASZEKSDTDE-UHFFFAOYSA-N 1 1 480.657 3.477 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001304288084 1067331227 /nfs/dbraw/zinc/33/12/27/1067331227.db2.gz QLXMUCYGYANQAF-QFQXNSOFSA-N 1 1 471.646 3.324 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302711988 1067332793 /nfs/dbraw/zinc/33/27/93/1067332793.db2.gz JPLCEEDWSPIWHR-GMAHTHKFSA-N 1 1 451.619 3.414 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302711987 1067332911 /nfs/dbraw/zinc/33/29/11/1067332911.db2.gz JPLCEEDWSPIWHR-GGAORHGYSA-N 1 1 451.619 3.414 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302715583 1067334558 /nfs/dbraw/zinc/33/45/58/1067334558.db2.gz YQWBMLVGDKYAOK-DEOSSOPVSA-N 1 1 454.663 3.123 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304290511 1067337595 /nfs/dbraw/zinc/33/75/95/1067337595.db2.gz GNGDXSSTTIZYRZ-VXKWHMMOSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC001302723882 1067339214 /nfs/dbraw/zinc/33/92/14/1067339214.db2.gz NSEWTWTWTOBFTE-JOCHJYFZSA-N 1 1 457.640 3.352 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302724029 1067339458 /nfs/dbraw/zinc/33/94/58/1067339458.db2.gz OBFOCTJHJIOUEF-ZWKOTPCHSA-N 1 1 478.663 3.085 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304292117 1067340840 /nfs/dbraw/zinc/34/08/40/1067340840.db2.gz VPUUERLUDSPLBI-PXDATVDWSA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001304294316 1067343241 /nfs/dbraw/zinc/34/32/41/1067343241.db2.gz ONNJNACCKCMYMS-BEFAXECRSA-N 1 1 463.579 3.158 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001304294839 1067344237 /nfs/dbraw/zinc/34/42/37/1067344237.db2.gz XPKJZWGBEYXYGY-FPOVZHCZSA-N 1 1 459.660 3.384 20 0 JGADMO CSCCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302736967 1067349360 /nfs/dbraw/zinc/34/93/60/1067349360.db2.gz BBRKHLHVRQIEJU-LJQANCHMSA-N 1 1 471.737 3.414 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC001304301282 1067349660 /nfs/dbraw/zinc/34/96/60/1067349660.db2.gz SWLRRWXAJUUORZ-OAQYLSRUSA-N 1 1 460.376 3.312 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CCN3CCN(c4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)o1 ZINC001304303757 1067351899 /nfs/dbraw/zinc/35/18/99/1067351899.db2.gz AELMEJYDYBEBLH-UHFFFAOYSA-N 1 1 465.646 3.445 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CCN3CCN(c4ccccc4)CC3)n2CC[N@H+](C)C(C)C)o1 ZINC001304303757 1067351911 /nfs/dbraw/zinc/35/19/11/1067351911.db2.gz AELMEJYDYBEBLH-UHFFFAOYSA-N 1 1 465.646 3.445 20 0 JGADMO Cc1ccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@H](c2cccs2)[NH+](C)C)o1 ZINC001304307129 1067354681 /nfs/dbraw/zinc/35/46/81/1067354681.db2.gz QWGWGZRLOCTWMV-KRWDZBQOSA-N 1 1 463.629 3.224 20 0 JGADMO CSCCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001302748207 1067356315 /nfs/dbraw/zinc/35/63/15/1067356315.db2.gz HKPIZOGKUFGFCA-VQTJNVASSA-N 1 1 451.681 3.395 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1Br ZINC001304310626 1067358080 /nfs/dbraw/zinc/35/80/80/1067358080.db2.gz ZRVPYTBVSNQJDD-CMKODMSKSA-N 1 1 492.462 3.476 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1Br ZINC001304310630 1067358291 /nfs/dbraw/zinc/35/82/91/1067358291.db2.gz ZRVPYTBVSNQJDD-WSTZPKSXSA-N 1 1 492.462 3.476 20 0 JGADMO CSCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302754044 1067359110 /nfs/dbraw/zinc/35/91/10/1067359110.db2.gz PUHRNIQTLDTGIE-SFHVURJKSA-N 1 1 466.449 3.372 20 0 JGADMO CSCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302754044 1067359120 /nfs/dbraw/zinc/35/91/20/1067359120.db2.gz PUHRNIQTLDTGIE-SFHVURJKSA-N 1 1 466.449 3.372 20 0 JGADMO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001302762182 1067363744 /nfs/dbraw/zinc/36/37/44/1067363744.db2.gz PXJOPQBOCCUYIO-TZIWHRDSSA-N 1 1 451.681 3.317 20 0 JGADMO CSCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001302766527 1067366027 /nfs/dbraw/zinc/36/60/27/1067366027.db2.gz AORSOROFNYMYPI-WMZHIEFXSA-N 1 1 488.677 3.140 20 0 JGADMO CSCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001302767823 1067366750 /nfs/dbraw/zinc/36/67/50/1067366750.db2.gz QDSVGUDIGJOCQN-NRFANRHFSA-N 1 1 464.724 3.310 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)o1 ZINC001304319385 1067366964 /nfs/dbraw/zinc/36/69/64/1067366964.db2.gz YSYSAMULUMBTKD-FQEVSTJZSA-N 1 1 484.567 3.420 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)o1 ZINC001304319663 1067367288 /nfs/dbraw/zinc/36/72/88/1067367288.db2.gz FPMNDIMYKPKUHA-RTWAWAEBSA-N 1 1 486.661 3.072 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H]2C)CCO1 ZINC001302769352 1067367931 /nfs/dbraw/zinc/36/79/31/1067367931.db2.gz GWKIMOQFXGLSOK-WIYYLYMNSA-N 1 1 475.037 3.207 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001302770926 1067369104 /nfs/dbraw/zinc/36/91/04/1067369104.db2.gz SNLLRTPDTFRNLN-LJQANCHMSA-N 1 1 495.466 3.018 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001302770926 1067369113 /nfs/dbraw/zinc/36/91/13/1067369113.db2.gz SNLLRTPDTFRNLN-LJQANCHMSA-N 1 1 495.466 3.018 20 0 JGADMO CSCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302773550 1067371263 /nfs/dbraw/zinc/37/12/63/1067371263.db2.gz NZMHELKMPLFNRI-GOSISDBHSA-N 1 1 452.024 3.175 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304323623 1067371307 /nfs/dbraw/zinc/37/13/07/1067371307.db2.gz GAXSUQFNRSRUNU-HDICACEKSA-N 1 1 466.577 3.121 20 0 JGADMO CSCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302773550 1067371277 /nfs/dbraw/zinc/37/12/77/1067371277.db2.gz NZMHELKMPLFNRI-GOSISDBHSA-N 1 1 452.024 3.175 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001304323980 1067371984 /nfs/dbraw/zinc/37/19/84/1067371984.db2.gz MUDDBVGCSOWTKL-UHFFFAOYSA-N 1 1 499.461 3.473 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@@H+](C)C2CCCC2)cc1Br ZINC001304324897 1067373483 /nfs/dbraw/zinc/37/34/83/1067373483.db2.gz XDUNSVYGETUMKE-UHFFFAOYSA-N 1 1 475.435 3.169 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001304325289 1067374050 /nfs/dbraw/zinc/37/40/50/1067374050.db2.gz UIBVTLTZUJAWFV-OUVBFAFZSA-N 1 1 490.718 3.389 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001302781304 1067375664 /nfs/dbraw/zinc/37/56/64/1067375664.db2.gz KEJRTGSVUXUQCT-DHIUTWEWSA-N 1 1 459.610 3.226 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001304327587 1067376345 /nfs/dbraw/zinc/37/63/45/1067376345.db2.gz IFDHWHAEDSLXOW-SFHVURJKSA-N 1 1 478.435 3.354 20 0 JGADMO Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CC[N@H+](C)C2CCCCC2)cc1Br ZINC001304327640 1067376767 /nfs/dbraw/zinc/37/67/67/1067376767.db2.gz ZUXNSZAJXHICCK-UHFFFAOYSA-N 1 1 475.435 3.217 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCS1 ZINC001302783758 1067377064 /nfs/dbraw/zinc/37/70/64/1067377064.db2.gz QKRVRRVRLOSTAW-YADHBBJMSA-N 1 1 458.676 3.079 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302787466 1067379442 /nfs/dbraw/zinc/37/94/42/1067379442.db2.gz HNRNUEUVJGGLEC-IRLDBZIGSA-N 1 1 478.037 3.219 20 0 JGADMO CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302788394 1067380178 /nfs/dbraw/zinc/38/01/78/1067380178.db2.gz IGHAOAGUWYKJFZ-FCHUYYIVSA-N 1 1 459.660 3.262 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)CCS1 ZINC001302788991 1067380332 /nfs/dbraw/zinc/38/03/32/1067380332.db2.gz NKTYTEVAOOUOEL-NRFANRHFSA-N 1 1 463.623 3.296 20 0 JGADMO CSCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302792273 1067383785 /nfs/dbraw/zinc/38/37/85/1067383785.db2.gz DLXAECWRWZEFPN-XUVXKRRUSA-N 1 1 453.697 3.354 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001304338651 1067383989 /nfs/dbraw/zinc/38/39/89/1067383989.db2.gz QNUWKTMWBAUNJO-RDGATRHJSA-N 1 1 475.634 3.213 20 0 JGADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001302798479 1067387477 /nfs/dbraw/zinc/38/74/77/1067387477.db2.gz YDLVFWWNEVAJCB-ARNLJNQMSA-N 1 1 490.737 3.159 20 0 JGADMO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001302799897 1067389067 /nfs/dbraw/zinc/38/90/67/1067389067.db2.gz WNXMMRJLGZUJEK-HOCLYGCPSA-N 1 1 453.454 3.472 20 0 JGADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302803929 1067392179 /nfs/dbraw/zinc/39/21/79/1067392179.db2.gz AWDPMGQSWZABGZ-UPVQGACJSA-N 1 1 470.662 3.262 20 0 JGADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302803929 1067392189 /nfs/dbraw/zinc/39/21/89/1067392189.db2.gz AWDPMGQSWZABGZ-UPVQGACJSA-N 1 1 470.662 3.262 20 0 JGADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001304351734 1067392856 /nfs/dbraw/zinc/39/28/56/1067392856.db2.gz QBOFOWNFDLJWEI-UYAOXDASSA-N 1 1 488.683 3.017 20 0 JGADMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304351400 1067392914 /nfs/dbraw/zinc/39/29/14/1067392914.db2.gz APQIJHZFVAGNIP-BVYCBKJFSA-N 1 1 469.632 3.199 20 0 JGADMO CC(C)[C@H]1OCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001302805269 1067393148 /nfs/dbraw/zinc/39/31/48/1067393148.db2.gz HFQPGQPBKYVUDI-RCZVLFRGSA-N 1 1 474.694 3.408 20 0 JGADMO Cc1ccc(Cn2c(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)c(F)c1 ZINC001304363972 1067402486 /nfs/dbraw/zinc/40/24/86/1067402486.db2.gz MJMVJGMYFGSSBT-JOCHJYFZSA-N 1 1 472.653 3.303 20 0 JGADMO CSCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001302817638 1067405189 /nfs/dbraw/zinc/40/51/89/1067405189.db2.gz FYKWIXIHCQBAMF-KDURUIRLSA-N 1 1 477.748 3.382 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001304372638 1067410711 /nfs/dbraw/zinc/41/07/11/1067410711.db2.gz HPPBVUGOUALDQQ-UHFFFAOYSA-N 1 1 464.618 3.037 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2=O)cc1 ZINC001304373628 1067411629 /nfs/dbraw/zinc/41/16/29/1067411629.db2.gz YAEDGXVLWNXRPW-JOCHJYFZSA-N 1 1 468.646 3.094 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCCOC2)cc1C ZINC001304373962 1067412096 /nfs/dbraw/zinc/41/20/96/1067412096.db2.gz GSLRKGRXOSJDPS-JOCHJYFZSA-N 1 1 498.672 3.368 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001304373970 1067412563 /nfs/dbraw/zinc/41/25/63/1067412563.db2.gz GXONFMBOMHCYRT-NRFANRHFSA-N 1 1 466.586 3.223 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[NH+]2CCSCC2)cc1C ZINC001304374852 1067413864 /nfs/dbraw/zinc/41/38/64/1067413864.db2.gz GPDSEFROWVRERR-NRFANRHFSA-N 1 1 472.659 3.201 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304375065 1067414275 /nfs/dbraw/zinc/41/42/75/1067414275.db2.gz JALNEIRIBKQELC-NRFANRHFSA-N 1 1 497.688 3.177 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCOC3)n2CC[N@@H+](C)C2CCCC2)cc1C ZINC001304375444 1067415227 /nfs/dbraw/zinc/41/52/27/1067415227.db2.gz MJODUWUCMCLWMB-HXUWFJFHSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCOC3)n2CC[N@@H+](C)C2CCCC2)cc1C ZINC001304375441 1067415249 /nfs/dbraw/zinc/41/52/49/1067415249.db2.gz MJODUWUCMCLWMB-FQEVSTJZSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001304375785 1067416211 /nfs/dbraw/zinc/41/62/11/1067416211.db2.gz PUJJDXCIIFGUTR-PGRDOPGGSA-N 1 1 454.619 3.494 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302827559 1067417678 /nfs/dbraw/zinc/41/76/78/1067417678.db2.gz BPINGNCEPHYSAZ-WIYYLYMNSA-N 1 1 474.675 3.338 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302827557 1067417769 /nfs/dbraw/zinc/41/77/69/1067417769.db2.gz BPINGNCEPHYSAZ-NQIIRXRSSA-N 1 1 474.675 3.338 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+](C)C2CCCCC2)C[C@@H]1O ZINC001302833759 1067421383 /nfs/dbraw/zinc/42/13/83/1067421383.db2.gz BVUCLHXUTAWOBJ-XXBNENTESA-N 1 1 489.686 3.210 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1O ZINC001302835257 1067422494 /nfs/dbraw/zinc/42/24/94/1067422494.db2.gz UZHPDUMFVJYDRS-AYOQOUSVSA-N 1 1 479.467 3.374 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001302840124 1067426901 /nfs/dbraw/zinc/42/69/01/1067426901.db2.gz SQAMRWJFLXUYBO-UEXGIBASSA-N 1 1 465.689 3.245 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001302840124 1067426907 /nfs/dbraw/zinc/42/69/07/1067426907.db2.gz SQAMRWJFLXUYBO-UEXGIBASSA-N 1 1 465.689 3.245 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001304380319 1067427368 /nfs/dbraw/zinc/42/73/68/1067427368.db2.gz YQANWXXMIKFSIW-SANMLTNESA-N 1 1 466.630 3.396 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOCC(C)C)cc1C ZINC001304380388 1067427820 /nfs/dbraw/zinc/42/78/20/1067427820.db2.gz ZIBXOHKGXBCSGR-LADGPHEKSA-N 1 1 498.672 3.367 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2cc(F)cc(F)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302841675 1067428521 /nfs/dbraw/zinc/42/85/21/1067428521.db2.gz LNZJYSXGUZGGQF-NRFANRHFSA-N 1 1 462.589 3.334 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)cc1C ZINC001304382398 1067431100 /nfs/dbraw/zinc/43/11/00/1067431100.db2.gz CULMADRHROCYAH-UUWRZZSWSA-N 1 1 486.686 3.369 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001304383265 1067432471 /nfs/dbraw/zinc/43/24/71/1067432471.db2.gz JYOOYYALWCHGPF-UGKGYDQZSA-N 1 1 495.672 3.326 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302851145 1067435558 /nfs/dbraw/zinc/43/55/58/1067435558.db2.gz ZGAUKOQNOSUZQY-SFHVURJKSA-N 1 1 472.588 3.416 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCN1C(=O)OC(C)(C)C ZINC001302851655 1067436191 /nfs/dbraw/zinc/43/61/91/1067436191.db2.gz QGMLSJFVXOBXFR-IRLDBZIGSA-N 1 1 499.660 3.023 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001302851272 1067436224 /nfs/dbraw/zinc/43/62/24/1067436224.db2.gz DPHNBYRELNAEHL-LJQANCHMSA-N 1 1 486.665 3.246 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CCC(C)C)cc1C ZINC001304384818 1067436162 /nfs/dbraw/zinc/43/61/62/1067436162.db2.gz UEUWEBPMDRIMQM-UHFFFAOYSA-N 1 1 495.672 3.328 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CCC(C)C)cc1C ZINC001304384818 1067436165 /nfs/dbraw/zinc/43/61/65/1067436165.db2.gz UEUWEBPMDRIMQM-UHFFFAOYSA-N 1 1 495.672 3.328 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001304384906 1067436613 /nfs/dbraw/zinc/43/66/13/1067436613.db2.gz VSAYJWCZZNZMDJ-LEWJYISDSA-N 1 1 481.645 3.113 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(Nc3ccn(C)n3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001304386555 1067441490 /nfs/dbraw/zinc/44/14/90/1067441490.db2.gz HWUUCJSUEFISHK-KDURUIRLSA-N 1 1 466.590 3.124 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)C2)nc1 ZINC001304387553 1067443479 /nfs/dbraw/zinc/44/34/79/1067443479.db2.gz RVWOWLLVBGKMCO-VXKWHMMOSA-N 1 1 483.661 3.461 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCCOCC(F)F ZINC001302866032 1067447262 /nfs/dbraw/zinc/44/72/62/1067447262.db2.gz GDTSRTTYQWVWLI-MRXNPFEDSA-N 1 1 484.979 3.355 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCSCC(F)(F)F ZINC001302866467 1067447786 /nfs/dbraw/zinc/44/77/86/1067447786.db2.gz NVYOEOORUOPDLO-SJLPKXTDSA-N 1 1 482.576 3.235 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CCCN1CCOC1=O ZINC001302866770 1067447912 /nfs/dbraw/zinc/44/79/12/1067447912.db2.gz QDJFAYCGJJERTP-HXUWFJFHSA-N 1 1 454.619 3.420 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccccc2F)n1CCN(C)CC(F)(F)F ZINC001302867383 1067448416 /nfs/dbraw/zinc/44/84/16/1067448416.db2.gz UMJAVWIAKLPELL-QGZVFWFLSA-N 1 1 484.542 3.268 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C2CCCC2)n1CC(=O)NCC(F)(F)F ZINC001302867344 1067448461 /nfs/dbraw/zinc/44/84/61/1067448461.db2.gz SXDWVXHCZYOBQX-QGZVFWFLSA-N 1 1 464.536 3.325 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)NC(=O)OC(C)(C)C ZINC001302872799 1067456027 /nfs/dbraw/zinc/45/60/27/1067456027.db2.gz MNMMYPUIFNWHTD-UYAOXDASSA-N 1 1 488.608 3.157 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302874836 1067457946 /nfs/dbraw/zinc/45/79/46/1067457946.db2.gz CQDIUOLDXVGMGV-XMMPIXPASA-N 1 1 488.721 3.499 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302880633 1067461958 /nfs/dbraw/zinc/46/19/58/1067461958.db2.gz VTSCKDDDSKOGHY-MZEQIWSPSA-N 1 1 452.647 3.479 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302880192 1067462045 /nfs/dbraw/zinc/46/20/45/1067462045.db2.gz PSJQPVNXUYAVCT-VWNXMTODSA-N 1 1 462.038 3.147 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302881311 1067463011 /nfs/dbraw/zinc/46/30/11/1067463011.db2.gz BQKQWQANEZHENF-UYXZNNOOSA-N 1 1 487.693 3.048 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001302881990 1067463541 /nfs/dbraw/zinc/46/35/41/1067463541.db2.gz NVHJMFZYGTVEJV-QFIPXVFZSA-N 1 1 482.551 3.162 20 0 JGADMO CC(C)Cc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302886882 1067467315 /nfs/dbraw/zinc/46/73/15/1067467315.db2.gz OAOQTJCFJUFCJY-UHFFFAOYSA-N 1 1 474.694 3.253 20 0 JGADMO CC(C)Cc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302886882 1067467319 /nfs/dbraw/zinc/46/73/19/1067467319.db2.gz OAOQTJCFJUFCJY-UHFFFAOYSA-N 1 1 474.694 3.253 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001304406600 1067470200 /nfs/dbraw/zinc/47/02/00/1067470200.db2.gz SURISGIXWKTTGW-FGZHOGPDSA-N 1 1 468.646 3.405 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302890382 1067470267 /nfs/dbraw/zinc/47/02/67/1067470267.db2.gz USVRYRVBLQHUSW-HXUWFJFHSA-N 1 1 478.682 3.281 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302890382 1067470270 /nfs/dbraw/zinc/47/02/70/1067470270.db2.gz USVRYRVBLQHUSW-HXUWFJFHSA-N 1 1 478.682 3.281 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001304408734 1067473873 /nfs/dbraw/zinc/47/38/73/1067473873.db2.gz WPJPPDBTFFFKRF-FKBYEOEOSA-N 1 1 457.619 3.016 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304408963 1067474342 /nfs/dbraw/zinc/47/43/42/1067474342.db2.gz YOBMUWSSJVDHAK-FUDKSRODSA-N 1 1 457.619 3.136 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001304409243 1067474363 /nfs/dbraw/zinc/47/43/63/1067474363.db2.gz ZFAVAJOPUFOKKT-KNQAVFIVSA-N 1 1 468.646 3.298 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304410095 1067476277 /nfs/dbraw/zinc/47/62/77/1067476277.db2.gz IWSRPYFTNXNMRA-UHFFFAOYSA-N 1 1 496.578 3.401 20 0 JGADMO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302897344 1067478348 /nfs/dbraw/zinc/47/83/48/1067478348.db2.gz WTOXFUCXGGVICQ-OAQYLSRUSA-N 1 1 459.683 3.229 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001304411326 1067479151 /nfs/dbraw/zinc/47/91/51/1067479151.db2.gz BXKNTMLNFCKUOW-RUZDIDTESA-N 1 1 454.619 3.063 20 0 JGADMO CC(C)Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001302899648 1067482012 /nfs/dbraw/zinc/48/20/12/1067482012.db2.gz LRVBUPIOJZWZOJ-RUZDIDTESA-N 1 1 474.719 3.441 20 0 JGADMO C[C@@H]1CN(CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CC=CCC2)C[C@H](C)O1 ZINC001302901520 1067485470 /nfs/dbraw/zinc/48/54/70/1067485470.db2.gz LAFIRUITIZZXPO-BGYRXZFFSA-N 1 1 459.038 3.406 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)nc3)n2CCN(C)CC(F)(F)F)C[C@H](C)O1 ZINC001302901818 1067486040 /nfs/dbraw/zinc/48/60/40/1067486040.db2.gz QIHBYHRTYPNWCO-IYBDPMFKSA-N 1 1 489.974 3.033 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)nc3)n2CCN(C)CC(F)(F)F)C[C@H](C)O1 ZINC001302901818 1067486043 /nfs/dbraw/zinc/48/60/43/1067486043.db2.gz QIHBYHRTYPNWCO-IYBDPMFKSA-N 1 1 489.974 3.033 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)C[C@H](C)O1 ZINC001302901892 1067486062 /nfs/dbraw/zinc/48/60/62/1067486062.db2.gz UABKREKAPCYAIA-CALCHBBNSA-N 1 1 498.455 3.339 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)C[C@H](C)O1 ZINC001302901892 1067486066 /nfs/dbraw/zinc/48/60/66/1067486066.db2.gz UABKREKAPCYAIA-CALCHBBNSA-N 1 1 498.455 3.339 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc[nH]2)n1CCCCNC(=O)OC(C)(C)C ZINC001302902388 1067487581 /nfs/dbraw/zinc/48/75/81/1067487581.db2.gz HCHOAZKVFAWVBI-IBGZPJMESA-N 1 1 487.649 3.268 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(=O)NC(C)C)cc1C ZINC001304416707 1067489221 /nfs/dbraw/zinc/48/92/21/1067489221.db2.gz NTUHOEHHLLKQLK-UHFFFAOYSA-N 1 1 456.635 3.309 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccccc2Br)C[C@H](C)O1 ZINC001302904848 1067489249 /nfs/dbraw/zinc/48/92/49/1067489249.db2.gz AZEFGBFRFHMMFR-CALCHBBNSA-N 1 1 488.434 3.035 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccccc2Br)C[C@H](C)O1 ZINC001302904848 1067489252 /nfs/dbraw/zinc/48/92/52/1067489252.db2.gz AZEFGBFRFHMMFR-CALCHBBNSA-N 1 1 488.434 3.035 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H]3c3nncn3C)n2CC[N@H+](C)C(C)C)cc1C ZINC001304417414 1067489603 /nfs/dbraw/zinc/48/96/03/1067489603.db2.gz VBZHYXRHLVYTLX-NRFANRHFSA-N 1 1 452.607 3.284 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2CCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC001302905308 1067490324 /nfs/dbraw/zinc/49/03/24/1067490324.db2.gz KNAVKCZQGIRFCU-BGYRXZFFSA-N 1 1 470.593 3.437 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2CCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC001302905308 1067490330 /nfs/dbraw/zinc/49/03/30/1067490330.db2.gz KNAVKCZQGIRFCU-BGYRXZFFSA-N 1 1 470.593 3.437 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304417894 1067490831 /nfs/dbraw/zinc/49/08/31/1067490831.db2.gz GLPGLKPVOYVTFK-SFHVURJKSA-N 1 1 494.562 3.155 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCC3)n2Cc2ccc(C[S@@](C)=O)cc2)C[C@H](C)O1 ZINC001302905677 1067490868 /nfs/dbraw/zinc/49/08/68/1067490868.db2.gz UFHIRMPBJSBIRG-YUCISJLTSA-N 1 1 459.660 3.018 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCC3)n2Cc2ccc(C[S@@](C)=O)cc2)C[C@H](C)O1 ZINC001302905677 1067490874 /nfs/dbraw/zinc/49/08/74/1067490874.db2.gz UFHIRMPBJSBIRG-YUCISJLTSA-N 1 1 459.660 3.018 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC3CC3)n2Cc2ccc(OC(C)(C)C)nc2)C[C@H](C)O1 ZINC001302907766 1067492520 /nfs/dbraw/zinc/49/25/20/1067492520.db2.gz HNVSHKUWSNJRRE-KDURUIRLSA-N 1 1 456.635 3.397 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC3CC3)n2Cc2ccc(OC(C)(C)C)nc2)C[C@H](C)O1 ZINC001302907766 1067492523 /nfs/dbraw/zinc/49/25/23/1067492523.db2.gz HNVSHKUWSNJRRE-KDURUIRLSA-N 1 1 456.635 3.397 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccc3F)n2CCOc2ncccc2F)C[C@H](C)O1 ZINC001302908917 1067493523 /nfs/dbraw/zinc/49/35/23/1067493523.db2.gz NIRLTGGAXZOOFQ-KDURUIRLSA-N 1 1 486.567 3.167 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccc3F)n2CCOc2ncccc2F)C[C@H](C)O1 ZINC001302908917 1067493527 /nfs/dbraw/zinc/49/35/27/1067493527.db2.gz NIRLTGGAXZOOFQ-KDURUIRLSA-N 1 1 486.567 3.167 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2cccs2)C[C@H](C)O1 ZINC001302908880 1067493572 /nfs/dbraw/zinc/49/35/72/1067493572.db2.gz MOSYCLMAHNYLTA-IEGUWTFLSA-N 1 1 475.684 3.445 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2cccs2)C[C@H](C)O1 ZINC001302908880 1067493574 /nfs/dbraw/zinc/49/35/74/1067493574.db2.gz MOSYCLMAHNYLTA-IEGUWTFLSA-N 1 1 475.684 3.445 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001304419551 1067494478 /nfs/dbraw/zinc/49/44/78/1067494478.db2.gz YLTOAVVWHRBSBB-VXKWHMMOSA-N 1 1 468.646 3.345 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccccc3F)n2C[C@@H]2CCC=CO2)C[C@H](C)O1 ZINC001302909415 1067494576 /nfs/dbraw/zinc/49/45/76/1067494576.db2.gz SDNROTJJCNZLSJ-ZCNNSNEGSA-N 1 1 459.566 3.234 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccccc3F)n2C[C@@H]2CCC=CO2)C[C@H](C)O1 ZINC001302909415 1067494582 /nfs/dbraw/zinc/49/45/82/1067494582.db2.gz SDNROTJJCNZLSJ-ZCNNSNEGSA-N 1 1 459.566 3.234 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CSCCS2)C[C@H](C)O1 ZINC001302909403 1067494598 /nfs/dbraw/zinc/49/45/98/1067494598.db2.gz RRWDEFCGBVLTQF-UEXGIBASSA-N 1 1 479.691 3.402 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CSCCS2)C[C@H](C)O1 ZINC001302909403 1067494602 /nfs/dbraw/zinc/49/46/02/1067494602.db2.gz RRWDEFCGBVLTQF-UEXGIBASSA-N 1 1 479.691 3.402 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001304419550 1067494577 /nfs/dbraw/zinc/49/45/77/1067494577.db2.gz YLTOAVVWHRBSBB-FGZHOGPDSA-N 1 1 468.646 3.345 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302909647 1067495214 /nfs/dbraw/zinc/49/52/14/1067495214.db2.gz XKUKFUVLXZGCLP-RFZFDZAKSA-N 1 1 478.037 3.236 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302909647 1067495217 /nfs/dbraw/zinc/49/52/17/1067495217.db2.gz XKUKFUVLXZGCLP-RFZFDZAKSA-N 1 1 478.037 3.236 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304420683 1067496203 /nfs/dbraw/zinc/49/62/03/1067496203.db2.gz OXLJWKWIZCVYDI-PCCBWWKXSA-N 1 1 457.619 3.278 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(CC(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302915694 1067499451 /nfs/dbraw/zinc/49/94/51/1067499451.db2.gz UEQLSMXSHLIPHZ-SIKLNZKXSA-N 1 1 455.647 3.485 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302918943 1067500555 /nfs/dbraw/zinc/50/05/55/1067500555.db2.gz IEAKCAXWLWDEAJ-BHDDXSALSA-N 1 1 465.708 3.392 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302919587 1067500963 /nfs/dbraw/zinc/50/09/63/1067500963.db2.gz MRXWJZXMOAUFQO-UXHICEINSA-N 1 1 455.651 3.314 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302922202 1067502500 /nfs/dbraw/zinc/50/25/00/1067502500.db2.gz BDNGCXKVNPHILD-JTHBVZDNSA-N 1 1 488.702 3.001 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001304425418 1067502501 /nfs/dbraw/zinc/50/25/01/1067502501.db2.gz PMYUQTBOQBXDNL-WEZXKFLESA-N 1 1 459.660 3.387 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001304425418 1067502507 /nfs/dbraw/zinc/50/25/07/1067502507.db2.gz PMYUQTBOQBXDNL-WEZXKFLESA-N 1 1 459.660 3.387 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001304427040 1067504083 /nfs/dbraw/zinc/50/40/83/1067504083.db2.gz ATDAAXFPYFEWEW-NRFANRHFSA-N 1 1 450.587 3.193 20 0 JGADMO Cc1ccc(OCCn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC001304430066 1067507686 /nfs/dbraw/zinc/50/76/86/1067507686.db2.gz UDIVWZCIWKSFFC-XMMPIXPASA-N 1 1 470.662 3.020 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001304431088 1067509341 /nfs/dbraw/zinc/50/93/41/1067509341.db2.gz AERFAFAMTJQQND-UHFFFAOYSA-N 1 1 456.660 3.492 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001302937125 1067510599 /nfs/dbraw/zinc/51/05/99/1067510599.db2.gz JLSJKQNLFXAFIE-NRFANRHFSA-N 1 1 486.636 3.218 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001302937125 1067510605 /nfs/dbraw/zinc/51/06/05/1067510605.db2.gz JLSJKQNLFXAFIE-NRFANRHFSA-N 1 1 486.636 3.218 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@H]3CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304432587 1067511128 /nfs/dbraw/zinc/51/11/28/1067511128.db2.gz ZFWWLBFKKRRKAB-LEWJYISDSA-N 1 1 459.660 3.461 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCCOc1ccccc1 ZINC001302939377 1067513064 /nfs/dbraw/zinc/51/30/64/1067513064.db2.gz XWCDHULLQSUZIU-UHFFFAOYSA-N 1 1 451.619 3.392 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001304434542 1067513934 /nfs/dbraw/zinc/51/39/34/1067513934.db2.gz WNAOOEDVKHJVAJ-HBMCJLEFSA-N 1 1 459.660 3.339 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001304436579 1067514868 /nfs/dbraw/zinc/51/48/68/1067514868.db2.gz FPLOECVRFNIIHA-PMACEKPBSA-N 1 1 456.660 3.278 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001304437804 1067517285 /nfs/dbraw/zinc/51/72/85/1067517285.db2.gz UDHOYXLWQTWVKD-OAQYLSRUSA-N 1 1 486.686 3.095 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302945729 1067518764 /nfs/dbraw/zinc/51/87/64/1067518764.db2.gz JBRIBCPHXNEGOJ-SFTDATJTSA-N 1 1 478.682 3.159 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001304438860 1067519129 /nfs/dbraw/zinc/51/91/29/1067519129.db2.gz POSQQYCVQKMBNL-UHFFFAOYSA-N 1 1 479.654 3.342 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302946508 1067519506 /nfs/dbraw/zinc/51/95/06/1067519506.db2.gz OTRZDNJKUMGRSM-OALUTQOASA-N 1 1 457.623 3.381 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302946511 1067519544 /nfs/dbraw/zinc/51/95/44/1067519544.db2.gz OTRZDNJKUMGRSM-RBUKOAKNSA-N 1 1 457.623 3.381 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304438921 1067519494 /nfs/dbraw/zinc/51/94/94/1067519494.db2.gz RBELUJGRTYQDFX-XPNTWCBSSA-N 1 1 473.687 3.443 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCOC[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304440634 1067521448 /nfs/dbraw/zinc/52/14/48/1067521448.db2.gz KPPJXJRKIYUEKY-UNMCSNQZSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1ccc(SCCn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304441576 1067522544 /nfs/dbraw/zinc/52/25/44/1067522544.db2.gz YDRTVBFSQFDWSJ-UHFFFAOYSA-N 1 1 469.659 3.326 20 0 JGADMO Cc1ccc(SCCn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304441576 1067522548 /nfs/dbraw/zinc/52/25/48/1067522548.db2.gz YDRTVBFSQFDWSJ-UHFFFAOYSA-N 1 1 469.659 3.326 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3cnn(C)c3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302954993 1067526948 /nfs/dbraw/zinc/52/69/48/1067526948.db2.gz KJJVCCSXTSABKZ-OYRHEFFESA-N 1 1 456.683 3.293 20 0 JGADMO Cc1cccc(C)c1NC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304446584 1067527493 /nfs/dbraw/zinc/52/74/93/1067527493.db2.gz JJDABGFTCRDCKO-SZPZYZBQSA-N 1 1 491.640 3.065 20 0 JGADMO Cc1cccc(C)c1NC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304446584 1067527502 /nfs/dbraw/zinc/52/75/02/1067527502.db2.gz JJDABGFTCRDCKO-SZPZYZBQSA-N 1 1 491.640 3.065 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302957500 1067528889 /nfs/dbraw/zinc/52/88/89/1067528889.db2.gz QNPDBKSTFKAHKJ-CTNGQTDRSA-N 1 1 486.627 3.440 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001302962032 1067533336 /nfs/dbraw/zinc/53/33/36/1067533336.db2.gz STMHYXOAGNAACM-DEOSSOPVSA-N 1 1 454.663 3.207 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001302962032 1067533344 /nfs/dbraw/zinc/53/33/44/1067533344.db2.gz STMHYXOAGNAACM-DEOSSOPVSA-N 1 1 454.663 3.207 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302962187 1067533581 /nfs/dbraw/zinc/53/35/81/1067533581.db2.gz VPNFJFHWVGLAQQ-JOCHJYFZSA-N 1 1 476.616 3.155 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302964174 1067534404 /nfs/dbraw/zinc/53/44/04/1067534404.db2.gz CSBNXHBMTIBJJP-QFIPXVFZSA-N 1 1 460.692 3.217 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1ccc(F)c(F)c1F ZINC001302964385 1067534556 /nfs/dbraw/zinc/53/45/56/1067534556.db2.gz DBLDCGNDKCFHEG-GOSISDBHSA-N 1 1 451.537 3.438 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001302965112 1067535426 /nfs/dbraw/zinc/53/54/26/1067535426.db2.gz QFKKHDJTSPNDEH-UHFFFAOYSA-N 1 1 452.628 3.202 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304456420 1067537106 /nfs/dbraw/zinc/53/71/06/1067537106.db2.gz HZKROVUSIQZETA-UHFFFAOYSA-N 1 1 492.550 3.148 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304456420 1067537113 /nfs/dbraw/zinc/53/71/13/1067537113.db2.gz HZKROVUSIQZETA-UHFFFAOYSA-N 1 1 492.550 3.148 20 0 JGADMO Cc1ncc(CN(C)c2nnc(-c3cccc(C)n3)n2CC2CCN(CC[NH+](C)C)CC2)s1 ZINC001304457214 1067537830 /nfs/dbraw/zinc/53/78/30/1067537830.db2.gz WSXQCCLAADAFAY-UHFFFAOYSA-N 1 1 468.675 3.323 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001304458513 1067538204 /nfs/dbraw/zinc/53/82/04/1067538204.db2.gz XSXNFJDBXQVLLL-HNNXBMFYSA-N 1 1 481.548 3.481 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001304458513 1067538210 /nfs/dbraw/zinc/53/82/10/1067538210.db2.gz XSXNFJDBXQVLLL-HNNXBMFYSA-N 1 1 481.548 3.481 20 0 JGADMO Fc1cccc(C[NH+]2CCN(c3nnc(-c4ccccn4)n3CCCOCC(F)F)CC2)c1 ZINC001302970522 1067538868 /nfs/dbraw/zinc/53/88/68/1067538868.db2.gz VRTCJIAEGYFUBX-UHFFFAOYSA-N 1 1 460.504 3.473 20 0 JGADMO Cc1cc([C@](C)(O)Cn2c(-c3cccc(C)n3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c(C)o1 ZINC001304459701 1067539499 /nfs/dbraw/zinc/53/94/99/1067539499.db2.gz MJYXRJNENNDWOY-AREMUKBSSA-N 1 1 482.629 3.313 20 0 JGADMO Cc1cc([C@](C)(O)Cn2c(-c3cccc(C)n3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c(C)o1 ZINC001304459701 1067539501 /nfs/dbraw/zinc/53/95/01/1067539501.db2.gz MJYXRJNENNDWOY-AREMUKBSSA-N 1 1 482.629 3.313 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC001304460496 1067539852 /nfs/dbraw/zinc/53/98/52/1067539852.db2.gz SZWMHIDNMDBGNT-FQEVSTJZSA-N 1 1 488.683 3.418 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302973166 1067540291 /nfs/dbraw/zinc/54/02/91/1067540291.db2.gz XNZQRBYVHZNXOT-DEOSSOPVSA-N 1 1 454.663 3.156 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001302975143 1067541595 /nfs/dbraw/zinc/54/15/95/1067541595.db2.gz JUXHSUQTISOTED-HXUWFJFHSA-N 1 1 464.655 3.081 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302975477 1067541645 /nfs/dbraw/zinc/54/16/45/1067541645.db2.gz KOYNPGWCNAVLDT-VQTJNVASSA-N 1 1 478.682 3.327 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001304464396 1067542417 /nfs/dbraw/zinc/54/24/17/1067542417.db2.gz GEBPPBQDYQQGSJ-MRXNPFEDSA-N 1 1 479.551 3.026 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302977141 1067543091 /nfs/dbraw/zinc/54/30/91/1067543091.db2.gz SSNJVBHLQGWNBK-HXUWFJFHSA-N 1 1 478.682 3.329 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304467187 1067545824 /nfs/dbraw/zinc/54/58/24/1067545824.db2.gz IDHYYGJCHDKARH-HXUWFJFHSA-N 1 1 499.660 3.205 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304467187 1067545831 /nfs/dbraw/zinc/54/58/31/1067545831.db2.gz IDHYYGJCHDKARH-HXUWFJFHSA-N 1 1 499.660 3.205 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)Cc4ccccc4)CC3)n2CCC(=O)N(C)C)n1 ZINC001304467807 1067546546 /nfs/dbraw/zinc/54/65/46/1067546546.db2.gz SLQMMBQVNHWPKZ-UHFFFAOYSA-N 1 1 475.641 3.475 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001304473572 1067551616 /nfs/dbraw/zinc/55/16/16/1067551616.db2.gz RUNYZAAYVXBQAS-FQEVSTJZSA-N 1 1 464.618 3.375 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC001304473680 1067551646 /nfs/dbraw/zinc/55/16/46/1067551646.db2.gz SQPBDKSYRWFXNJ-VXKWHMMOSA-N 1 1 497.688 3.281 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001302990446 1067551895 /nfs/dbraw/zinc/55/18/95/1067551895.db2.gz FFXXPSCATPLMPE-HBMCJLEFSA-N 1 1 488.702 3.208 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC001302991843 1067552913 /nfs/dbraw/zinc/55/29/13/1067552913.db2.gz SMIZOZWYDBDRFG-URXFXBBRSA-N 1 1 482.673 3.294 20 0 JGADMO Cc1cccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001304479502 1067559009 /nfs/dbraw/zinc/55/90/09/1067559009.db2.gz UTHFQEICNYSYRN-HXUWFJFHSA-N 1 1 469.634 3.436 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001303002075 1067559152 /nfs/dbraw/zinc/55/91/52/1067559152.db2.gz AKKNQWSZPIDRSO-DEOSSOPVSA-N 1 1 474.675 3.085 20 0 JGADMO Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304481439 1067560958 /nfs/dbraw/zinc/56/09/58/1067560958.db2.gz FINSITOYOWBLPT-NRFANRHFSA-N 1 1 456.635 3.401 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001304484436 1067563674 /nfs/dbraw/zinc/56/36/74/1067563674.db2.gz JOWFIQOMRWHSSM-MSOLQXFVSA-N 1 1 455.607 3.235 20 0 JGADMO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC001304489097 1067567733 /nfs/dbraw/zinc/56/77/33/1067567733.db2.gz CFJHYRTYAKNVJR-YADHBBJMSA-N 1 1 467.662 3.453 20 0 JGADMO Cc1cccc(N2CCN(c3nnc(CC(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)CC2)c1 ZINC001304498370 1067573432 /nfs/dbraw/zinc/57/34/32/1067573432.db2.gz UTMIRHSXPCCTLR-XMMPIXPASA-N 1 1 454.663 3.349 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001304498876 1067574196 /nfs/dbraw/zinc/57/41/96/1067574196.db2.gz ZUMSYIXXEWIXLY-CTNGQTDRSA-N 1 1 467.662 3.084 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCCCC2)c1 ZINC001304503380 1067577587 /nfs/dbraw/zinc/57/75/87/1067577587.db2.gz CUHSMDFNUGGZRX-SZPZYZBQSA-N 1 1 471.646 3.406 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCCCC2)c1 ZINC001304503380 1067577594 /nfs/dbraw/zinc/57/75/94/1067577594.db2.gz CUHSMDFNUGGZRX-SZPZYZBQSA-N 1 1 471.646 3.406 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H]2CCCn3cc[nH+]c32)c1 ZINC001304504023 1067578153 /nfs/dbraw/zinc/57/81/53/1067578153.db2.gz NYIOQKBXKNIFBR-HXUWFJFHSA-N 1 1 465.602 3.148 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001304505462 1067579143 /nfs/dbraw/zinc/57/91/43/1067579143.db2.gz ZULYDDMPBNERLC-UHFFFAOYSA-N 1 1 453.591 3.112 20 0 JGADMO Cc1cccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304509279 1067583565 /nfs/dbraw/zinc/58/35/65/1067583565.db2.gz UHWPBRVDJVWRLN-ICSRJNTNSA-N 1 1 497.562 3.432 20 0 JGADMO COc1cc(CCC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)cc(OC)c1O ZINC001303042139 1067586549 /nfs/dbraw/zinc/58/65/49/1067586549.db2.gz YQVWXXPJJHKSGI-NIYFSFCBSA-N 1 1 454.567 3.234 20 0 JGADMO COc1cc(CCC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)cc(OC)c1O ZINC001303042139 1067586558 /nfs/dbraw/zinc/58/65/58/1067586558.db2.gz YQVWXXPJJHKSGI-NIYFSFCBSA-N 1 1 454.567 3.234 20 0 JGADMO COc1cc(CCC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)cc(OC)c1O ZINC001303042137 1067586607 /nfs/dbraw/zinc/58/66/07/1067586607.db2.gz YQVWXXPJJHKSGI-AFMDSPMNSA-N 1 1 454.567 3.234 20 0 JGADMO COc1cc(CCC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)cc(OC)c1O ZINC001303042137 1067586612 /nfs/dbraw/zinc/58/66/12/1067586612.db2.gz YQVWXXPJJHKSGI-AFMDSPMNSA-N 1 1 454.567 3.234 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCCNC(=O)C(C)C)c1 ZINC001304511862 1067587888 /nfs/dbraw/zinc/58/78/88/1067587888.db2.gz IPSCNFGVOGTCIT-QFIPXVFZSA-N 1 1 498.672 3.017 20 0 JGADMO CC(C)CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303046701 1067589333 /nfs/dbraw/zinc/58/93/33/1067589333.db2.gz FPBQJRVAGQSTCM-QHCPKHFHSA-N 1 1 484.693 3.291 20 0 JGADMO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001303047240 1067589350 /nfs/dbraw/zinc/58/93/50/1067589350.db2.gz IWLGAKCMBUYUJY-IBGZPJMESA-N 1 1 467.618 3.433 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001304513000 1067590410 /nfs/dbraw/zinc/59/04/10/1067590410.db2.gz OEBNJFCCEMSQDB-QFIPXVFZSA-N 1 1 457.619 3.139 20 0 JGADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1NCc1ccccc1Cl ZINC001303049513 1067590397 /nfs/dbraw/zinc/59/03/97/1067590397.db2.gz FUPZYTVBKLKCHH-OAQYLSRUSA-N 1 1 457.018 3.479 20 0 JGADMO CC(C)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303049113 1067590481 /nfs/dbraw/zinc/59/04/81/1067590481.db2.gz CQUBNUUSCPAZSJ-FGZHOGPDSA-N 1 1 459.660 3.327 20 0 JGADMO CC(C)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303049113 1067590487 /nfs/dbraw/zinc/59/04/87/1067590487.db2.gz CQUBNUUSCPAZSJ-FGZHOGPDSA-N 1 1 459.660 3.327 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001304515878 1067592276 /nfs/dbraw/zinc/59/22/76/1067592276.db2.gz SFIGEAOXXUJWEI-UHFFFAOYSA-N 1 1 475.659 3.055 20 0 JGADMO Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC[N@H+]1CCC[C@@H](C)C1)C2 ZINC001304516929 1067592821 /nfs/dbraw/zinc/59/28/21/1067592821.db2.gz RLSIUWGLKVXFEV-TZIWHRDSSA-N 1 1 488.702 3.272 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)Cc2ccccn2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304521565 1067596787 /nfs/dbraw/zinc/59/67/87/1067596787.db2.gz LHYMKZPVIBBYGC-HSZRJFAPSA-N 1 1 461.614 3.228 20 0 JGADMO Cc1ccccc1[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304522225 1067597175 /nfs/dbraw/zinc/59/71/75/1067597175.db2.gz VNHGHBHDOOQXKR-FQEVSTJZSA-N 1 1 454.619 3.017 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001304523795 1067597799 /nfs/dbraw/zinc/59/77/99/1067597799.db2.gz BQFVTIYYFMULSU-FPOVZHCZSA-N 1 1 459.660 3.389 20 0 JGADMO Cc1ccccc1-c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304527998 1067599909 /nfs/dbraw/zinc/59/99/09/1067599909.db2.gz LEXPQHTZGOMWJL-UNMCSNQZSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001304541077 1067611816 /nfs/dbraw/zinc/61/18/16/1067611816.db2.gz ZRAZCGYBPJPMHR-LEWJYISDSA-N 1 1 484.645 3.204 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1(C(N)=O)CCCC1 ZINC001304546035 1067615218 /nfs/dbraw/zinc/61/52/18/1067615218.db2.gz BWVXICFTEXSUHD-UHFFFAOYSA-N 1 1 482.673 3.018 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCC[C@H]1C ZINC001304547600 1067616865 /nfs/dbraw/zinc/61/68/65/1067616865.db2.gz IWXGDEJDIGVVRT-QFQXNSOFSA-N 1 1 455.647 3.275 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCC[C@H]1C ZINC001304547600 1067616870 /nfs/dbraw/zinc/61/68/70/1067616870.db2.gz IWXGDEJDIGVVRT-QFQXNSOFSA-N 1 1 455.647 3.275 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCCC2(C)C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304556322 1067625205 /nfs/dbraw/zinc/62/52/05/1067625205.db2.gz JFLRYLJHGCPNDB-JOCHJYFZSA-N 1 1 452.647 3.499 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001304562191 1067632741 /nfs/dbraw/zinc/63/27/41/1067632741.db2.gz UONOEMRPMNYEIR-SANMLTNESA-N 1 1 467.614 3.225 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001303099853 1067637822 /nfs/dbraw/zinc/63/78/22/1067637822.db2.gz BEGGZKNJGBVXAY-SFTDATJTSA-N 1 1 468.646 3.427 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001303102558 1067641348 /nfs/dbraw/zinc/64/13/48/1067641348.db2.gz SSMFXZKPFZAVSV-VXKWHMMOSA-N 1 1 463.667 3.172 20 0 JGADMO Cc1ccccc1O[C@@H](C)Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C ZINC001304575276 1067644190 /nfs/dbraw/zinc/64/41/90/1067644190.db2.gz YUQSZCNTKFQEQR-SFTDATJTSA-N 1 1 468.646 3.094 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001303110409 1067648590 /nfs/dbraw/zinc/64/85/90/1067648590.db2.gz VGWRWEQDCUQXOU-FQEVSTJZSA-N 1 1 481.707 3.086 20 0 JGADMO CC(C)CCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303111566 1067649629 /nfs/dbraw/zinc/64/96/29/1067649629.db2.gz BMXXMMYQFNEFGH-SFHVURJKSA-N 1 1 496.425 3.430 20 0 JGADMO CC(C)CCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303111566 1067649632 /nfs/dbraw/zinc/64/96/32/1067649632.db2.gz BMXXMMYQFNEFGH-SFHVURJKSA-N 1 1 496.425 3.430 20 0 JGADMO CC1=CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001304585424 1067654123 /nfs/dbraw/zinc/65/41/23/1067654123.db2.gz HCDSSQLSNUGAFW-UHFFFAOYSA-N 1 1 486.686 3.474 20 0 JGADMO CC(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303117319 1067655084 /nfs/dbraw/zinc/65/50/84/1067655084.db2.gz CEGLPDOBTGMVTB-UYAOXDASSA-N 1 1 463.026 3.213 20 0 JGADMO CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001304590341 1067657577 /nfs/dbraw/zinc/65/75/77/1067657577.db2.gz FTWVKCPKFLTRBD-QHAWAJNXSA-N 1 1 474.650 3.052 20 0 JGADMO CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001304590518 1067657619 /nfs/dbraw/zinc/65/76/19/1067657619.db2.gz UKAYHISWHQISNW-OAQYLSRUSA-N 1 1 452.386 3.387 20 0 JGADMO CC(C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001303129463 1067671725 /nfs/dbraw/zinc/67/17/25/1067671725.db2.gz PXMLXCABJJPNKF-JOCHJYFZSA-N 1 1 477.613 3.023 20 0 JGADMO Cc1cnn(CCn2c(COc3ccc(Cl)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304606867 1067673703 /nfs/dbraw/zinc/67/37/03/1067673703.db2.gz OIZYAPQKQBRZED-BGYRXZFFSA-N 1 1 488.036 3.261 20 0 JGADMO Cc1cnn(CCn2c(COc3ccc(Cl)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304606867 1067673709 /nfs/dbraw/zinc/67/37/09/1067673709.db2.gz OIZYAPQKQBRZED-BGYRXZFFSA-N 1 1 488.036 3.261 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001303138826 1067679648 /nfs/dbraw/zinc/67/96/48/1067679648.db2.gz GOMKOLRNXQPEFA-QWFCFKBJSA-N 1 1 465.689 3.417 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001303138826 1067679650 /nfs/dbraw/zinc/67/96/50/1067679650.db2.gz GOMKOLRNXQPEFA-QWFCFKBJSA-N 1 1 465.689 3.417 20 0 JGADMO Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001304615158 1067682729 /nfs/dbraw/zinc/68/27/29/1067682729.db2.gz ZKOXSOVAADWSIF-IRXDYDNUSA-N 1 1 492.671 3.091 20 0 JGADMO Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001304615156 1067682760 /nfs/dbraw/zinc/68/27/60/1067682760.db2.gz ZKOXSOVAADWSIF-DLBZAZTESA-N 1 1 492.671 3.091 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303144399 1067683832 /nfs/dbraw/zinc/68/38/32/1067683832.db2.gz QEVWHPYVLFAMDO-UYAOXDASSA-N 1 1 485.526 3.012 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303144396 1067683871 /nfs/dbraw/zinc/68/38/71/1067683871.db2.gz QEVWHPYVLFAMDO-AZUAARDMSA-N 1 1 485.526 3.012 20 0 JGADMO Cc1csc([C@@H](C)Cn2c(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)n1 ZINC001304617902 1067685913 /nfs/dbraw/zinc/68/59/13/1067685913.db2.gz DUKFTCRNMHDFGW-PZJWPPBQSA-N 1 1 489.734 3.375 20 0 JGADMO Cc1csc([C@H](C)Cn2c(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)n1 ZINC001304617898 1067685940 /nfs/dbraw/zinc/68/59/40/1067685940.db2.gz DUKFTCRNMHDFGW-CTNGQTDRSA-N 1 1 489.734 3.375 20 0 JGADMO Cc1csc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304619613 1067687971 /nfs/dbraw/zinc/68/79/71/1067687971.db2.gz PVWJBHQPVRKGTC-QRQLOZEOSA-N 1 1 455.632 3.454 20 0 JGADMO Cc1csc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304619613 1067687973 /nfs/dbraw/zinc/68/79/73/1067687973.db2.gz PVWJBHQPVRKGTC-QRQLOZEOSA-N 1 1 455.632 3.454 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCOCC1 ZINC001303153220 1067691134 /nfs/dbraw/zinc/69/11/34/1067691134.db2.gz UMUCEOHXSFOIEQ-LJQANCHMSA-N 1 1 466.051 3.297 20 0 JGADMO CC(C)CN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC001303154160 1067691643 /nfs/dbraw/zinc/69/16/43/1067691643.db2.gz NVLRGRHDBRBMJH-QHCPKHFHSA-N 1 1 495.672 3.420 20 0 JGADMO Cc1csc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001304627302 1067698391 /nfs/dbraw/zinc/69/83/91/1067698391.db2.gz LGVYNTGISMZTRL-QGZVFWFLSA-N 1 1 468.693 3.017 20 0 JGADMO Cc1csc(Cn2c(CCc3ccccc3)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001304631324 1067701460 /nfs/dbraw/zinc/70/14/60/1067701460.db2.gz IDAOFERYEIPRLO-UHFFFAOYSA-N 1 1 454.644 3.424 20 0 JGADMO CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001303167698 1067702825 /nfs/dbraw/zinc/70/28/25/1067702825.db2.gz NVHHMPPMHDUDEG-NJYVYQBISA-N 1 1 476.666 3.206 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)CCC(F)F)C1 ZINC001303172128 1067704411 /nfs/dbraw/zinc/70/44/11/1067704411.db2.gz APHJWIZLTURZLD-GOSISDBHSA-N 1 1 473.576 3.380 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(OCC3CC3)CC2)C1 ZINC001303172757 1067706490 /nfs/dbraw/zinc/70/64/90/1067706490.db2.gz MTJOUBDNJWKIKC-OAQYLSRUSA-N 1 1 460.667 3.180 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001303173198 1067706975 /nfs/dbraw/zinc/70/69/75/1067706975.db2.gz PIYDKEDMTIIGMJ-DLBZAZTESA-N 1 1 463.001 3.417 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001303173716 1067707606 /nfs/dbraw/zinc/70/76/06/1067707606.db2.gz TZCMGQAKGNFJOX-NRFANRHFSA-N 1 1 461.614 3.443 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001303174600 1067707937 /nfs/dbraw/zinc/70/79/37/1067707937.db2.gz ZDQRXYJJSVXIJS-SFHVURJKSA-N 1 1 495.093 3.375 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001303174293 1067708149 /nfs/dbraw/zinc/70/81/49/1067708149.db2.gz XFTCZTIFSQRWGE-RBUKOAKNSA-N 1 1 457.648 3.235 20 0 JGADMO Cc1nc(C)c(CCn2c(Cc3ccncc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC001304640976 1067708956 /nfs/dbraw/zinc/70/89/56/1067708956.db2.gz BVHGIJKESPILGU-UHFFFAOYSA-N 1 1 483.686 3.375 20 0 JGADMO CC(C)CN1C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CCN2C1=O ZINC001303177028 1067709621 /nfs/dbraw/zinc/70/96/21/1067709621.db2.gz TZDSLOYNACPHHZ-RTWAWAEBSA-N 1 1 459.683 3.278 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001303177718 1067710530 /nfs/dbraw/zinc/71/05/30/1067710530.db2.gz HUAFKOPUBGKPQN-IBGZPJMESA-N 1 1 453.697 3.248 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001303178314 1067711094 /nfs/dbraw/zinc/71/10/94/1067711094.db2.gz KYQKVMFIOPAYOU-DNVJHFABSA-N 1 1 474.694 3.486 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001303178510 1067711354 /nfs/dbraw/zinc/71/13/54/1067711354.db2.gz MFJPPDZICPJVKD-AXMKBWGCSA-N 1 1 474.694 3.266 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C(C)C)C2)C1 ZINC001303179329 1067712854 /nfs/dbraw/zinc/71/28/54/1067712854.db2.gz UHZTUEZWXHWMHY-SFTDATJTSA-N 1 1 488.702 3.499 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C(C)C)C2)C1 ZINC001303179327 1067712857 /nfs/dbraw/zinc/71/28/57/1067712857.db2.gz UHZTUEZWXHWMHY-NHCUHLMSSA-N 1 1 488.702 3.499 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)C1 ZINC001303179423 1067713323 /nfs/dbraw/zinc/71/33/23/1067713323.db2.gz VPHWVDSXILONDF-UXHICEINSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCC(C)(F)F)cs1 ZINC001304649429 1067717152 /nfs/dbraw/zinc/71/71/52/1067717152.db2.gz SSGGXNBVALISAL-UHFFFAOYSA-N 1 1 456.607 3.474 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+](C)C(C)C)CC1=O ZINC001303184421 1067717717 /nfs/dbraw/zinc/71/77/17/1067717717.db2.gz WMFJSRCPRCESNH-IBGZPJMESA-N 1 1 460.598 3.202 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@@]2(O)CC[N@@H+](C)C2)cs1 ZINC001304652711 1067720506 /nfs/dbraw/zinc/72/05/06/1067720506.db2.gz LJIGRJFEMIFMAZ-OAQYLSRUSA-N 1 1 480.560 3.356 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC[N@H+](C)C(C)C)cs1 ZINC001304655340 1067723593 /nfs/dbraw/zinc/72/35/93/1067723593.db2.gz WTWLTCMDXLWAEL-UHFFFAOYSA-N 1 1 451.044 3.387 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1=O ZINC001303191680 1067725716 /nfs/dbraw/zinc/72/57/16/1067725716.db2.gz GMDQNZJXTNDCCU-UPVQGACJSA-N 1 1 482.673 3.387 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1=O ZINC001303191681 1067725785 /nfs/dbraw/zinc/72/57/85/1067725785.db2.gz GMDQNZJXTNDCCU-VWNXMTODSA-N 1 1 482.673 3.387 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1=O ZINC001303191679 1067725826 /nfs/dbraw/zinc/72/58/26/1067725826.db2.gz GMDQNZJXTNDCCU-LADGPHEKSA-N 1 1 482.673 3.387 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC001304660496 1067728455 /nfs/dbraw/zinc/72/84/55/1067728455.db2.gz VBMKZHLKFBETCQ-SFHVURJKSA-N 1 1 464.680 3.386 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001303196220 1067729913 /nfs/dbraw/zinc/72/99/13/1067729913.db2.gz LHWYJBWNWNJTLY-QFIPXVFZSA-N 1 1 470.637 3.433 20 0 JGADMO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1=O ZINC001303197059 1067731490 /nfs/dbraw/zinc/73/14/90/1067731490.db2.gz NDMMSMJBRPHCQO-QFIPXVFZSA-N 1 1 496.700 3.440 20 0 JGADMO Cc1nc(Cc2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCn2cc[nH+]c2C)cs1 ZINC001304667707 1067735915 /nfs/dbraw/zinc/73/59/15/1067735915.db2.gz FZECSQQNNPBPBA-UHFFFAOYSA-N 1 1 486.646 3.144 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cs1 ZINC001304668590 1067736643 /nfs/dbraw/zinc/73/66/43/1067736643.db2.gz DZRWIXLTRMEVKH-PKOBYXMFSA-N 1 1 473.691 3.105 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCOCC2CCOCC2)cs1 ZINC001304669013 1067737122 /nfs/dbraw/zinc/73/71/22/1067737122.db2.gz XGBGRNJOHLESET-UHFFFAOYSA-N 1 1 476.691 3.388 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2ccco2)N(C)C)cs1 ZINC001304669341 1067737370 /nfs/dbraw/zinc/73/73/70/1067737370.db2.gz HEARFEOXLOEYPN-HXUWFJFHSA-N 1 1 457.648 3.308 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2ccsc2)C1 ZINC001303201840 1067737646 /nfs/dbraw/zinc/73/76/46/1067737646.db2.gz PZGAVVRJNHTEMQ-WOJBJXKFSA-N 1 1 460.648 3.176 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2nc3ccccc3s2)C1 ZINC001303201871 1067737667 /nfs/dbraw/zinc/73/76/67/1067737667.db2.gz QUNFAZBVESWAEW-SFHVURJKSA-N 1 1 485.658 3.019 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CC=CCC2)cs1 ZINC001304669712 1067737829 /nfs/dbraw/zinc/73/78/29/1067737829.db2.gz BWUSVTDCYDQJEE-GOSISDBHSA-N 1 1 470.565 3.443 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304669566 1067737858 /nfs/dbraw/zinc/73/78/58/1067737858.db2.gz BWGCXJBSKCXHRZ-SFHVURJKSA-N 1 1 461.680 3.105 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccc(Cl)cc2)C1 ZINC001303202161 1067738248 /nfs/dbraw/zinc/73/82/48/1067738248.db2.gz VZWZHNFKFPJBKL-QFIPXVFZSA-N 1 1 489.064 3.203 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001303202321 1067738449 /nfs/dbraw/zinc/73/84/49/1067738449.db2.gz XBPGRUMYLBTSJK-WMZHIEFXSA-N 1 1 475.609 3.123 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001303203849 1067739418 /nfs/dbraw/zinc/73/94/18/1067739418.db2.gz CGFCWXOCNQNHHJ-IBGZPJMESA-N 1 1 469.556 3.204 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001303203870 1067739469 /nfs/dbraw/zinc/73/94/69/1067739469.db2.gz CIWKEOWAPASAIZ-SJLPKXTDSA-N 1 1 495.455 3.276 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@H]2CCSC2)C1 ZINC001303203939 1067739643 /nfs/dbraw/zinc/73/96/43/1067739643.db2.gz HYVGYEFOYJTXBL-ZWKOTPCHSA-N 1 1 465.614 3.446 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N(C)Cc3ccc(F)cc3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303204218 1067740567 /nfs/dbraw/zinc/74/05/67/1067740567.db2.gz LPARCQSCNDRJAM-BVAGGSTKSA-N 1 1 489.636 3.451 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001303204203 1067740698 /nfs/dbraw/zinc/74/06/98/1067740698.db2.gz LHIGIILUQJZXLH-SFTDATJTSA-N 1 1 496.578 3.168 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CCOC3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303204390 1067741189 /nfs/dbraw/zinc/74/11/89/1067741189.db2.gz IQTMQDMHLPJWQH-MOPGFXCFSA-N 1 1 459.557 3.308 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001303204869 1067741646 /nfs/dbraw/zinc/74/16/46/1067741646.db2.gz MTBYOZYNBISGCE-OAQYLSRUSA-N 1 1 498.031 3.086 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001304672974 1067742023 /nfs/dbraw/zinc/74/20/23/1067742023.db2.gz YCRHYHMPKRXPGA-LEWJYISDSA-N 1 1 487.718 3.495 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C3CCC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303205033 1067742259 /nfs/dbraw/zinc/74/22/59/1067742259.db2.gz OLBQGWHYPSYCJZ-SESVDKBCSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccn3C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001303206653 1067744514 /nfs/dbraw/zinc/74/45/14/1067744514.db2.gz VPFBXAIVLMGDNQ-CPJSRVTESA-N 1 1 458.651 3.282 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccn3C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001303206654 1067744829 /nfs/dbraw/zinc/74/48/29/1067744829.db2.gz VPFBXAIVLMGDNQ-NBGIEHNGSA-N 1 1 458.651 3.282 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001303207075 1067745031 /nfs/dbraw/zinc/74/50/31/1067745031.db2.gz YKXMWOPZMGWICW-PKOBYXMFSA-N 1 1 463.026 3.354 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC001304675720 1067746750 /nfs/dbraw/zinc/74/67/50/1067746750.db2.gz KMYGVIRDVIJRQR-JOCHJYFZSA-N 1 1 489.734 3.159 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304676505 1067748361 /nfs/dbraw/zinc/74/83/61/1067748361.db2.gz XOWOJJAZJZLGAF-JQVVWYNYSA-N 1 1 476.691 3.384 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001304676631 1067748699 /nfs/dbraw/zinc/74/86/99/1067748699.db2.gz ZWSOMWZXJKBUSG-NHCUHLMSSA-N 1 1 476.691 3.242 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001303215290 1067752804 /nfs/dbraw/zinc/75/28/04/1067752804.db2.gz IETDFEWZWZUMJK-YADHBBJMSA-N 1 1 483.661 3.299 20 0 JGADMO CC(C)COc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001303220416 1067757744 /nfs/dbraw/zinc/75/77/44/1067757744.db2.gz PNFFAGJAAAIQJR-JOCHJYFZSA-N 1 1 454.619 3.233 20 0 JGADMO Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)cs1 ZINC001304689050 1067762007 /nfs/dbraw/zinc/76/20/07/1067762007.db2.gz ZARUNVQXVXIVAV-NRFANRHFSA-N 1 1 475.707 3.020 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001303227795 1067763397 /nfs/dbraw/zinc/76/33/97/1067763397.db2.gz VKYCYUKXNOSHDL-SIKLNZKXSA-N 1 1 478.435 3.026 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001303234938 1067767234 /nfs/dbraw/zinc/76/72/34/1067767234.db2.gz FLOIBLVZUAMFEL-WZONZLPQSA-N 1 1 498.455 3.482 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001303234936 1067767295 /nfs/dbraw/zinc/76/72/95/1067767295.db2.gz FLOIBLVZUAMFEL-JPYJTQIMSA-N 1 1 498.455 3.482 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001303234937 1067767322 /nfs/dbraw/zinc/76/73/22/1067767322.db2.gz FLOIBLVZUAMFEL-MBSDFSHPSA-N 1 1 498.455 3.482 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)CC[C@H]2C)cc1F ZINC001304701433 1067772254 /nfs/dbraw/zinc/77/22/54/1067772254.db2.gz IRPPGYOICPOFKK-BBWFWOEESA-N 1 1 489.621 3.195 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N(C)CCC(F)F)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001304702328 1067774000 /nfs/dbraw/zinc/77/40/00/1067774000.db2.gz WDPMYJOQUTZLDZ-QHCPKHFHSA-N 1 1 475.544 3.348 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(C)C)C2)cc1F ZINC001304702352 1067774031 /nfs/dbraw/zinc/77/40/31/1067774031.db2.gz WQKXQGQOUALBRV-VQIMIIECSA-N 1 1 489.621 3.052 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001304702330 1067774179 /nfs/dbraw/zinc/77/41/79/1067774179.db2.gz WFVRPQAUZGNADH-UHFFFAOYSA-N 1 1 492.628 3.257 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)CC(F)(F)F)cc1F ZINC001304702293 1067774260 /nfs/dbraw/zinc/77/42/60/1067774260.db2.gz UYRNPYMTDZOQIZ-UHFFFAOYSA-N 1 1 465.455 3.081 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1C(C)(C)C ZINC001304702930 1067774906 /nfs/dbraw/zinc/77/49/06/1067774906.db2.gz AJMAUTOAZPCEOS-FQEVSTJZSA-N 1 1 451.623 3.456 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001304703210 1067775572 /nfs/dbraw/zinc/77/55/72/1067775572.db2.gz OMKGQOAGJVKKHU-OAQYLSRUSA-N 1 1 451.575 3.240 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001304703407 1067775884 /nfs/dbraw/zinc/77/58/84/1067775884.db2.gz GHAUODPVXJJXGM-MJGOQNOKSA-N 1 1 490.605 3.166 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2F)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001304704610 1067776989 /nfs/dbraw/zinc/77/69/89/1067776989.db2.gz NQHYVKONVUXSET-IAGOWNOFSA-N 1 1 462.595 3.327 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001304704609 1067777017 /nfs/dbraw/zinc/77/70/17/1067777017.db2.gz NQHYVKONVUXSET-DLBZAZTESA-N 1 1 462.595 3.327 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001304704116 1067777032 /nfs/dbraw/zinc/77/70/32/1067777032.db2.gz MTTSIBQBBLBEEE-GOSISDBHSA-N 1 1 455.611 3.386 20 0 JGADMO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1CCCCn1cc[nH+]c1C ZINC001304704646 1067777282 /nfs/dbraw/zinc/77/72/82/1067777282.db2.gz OTSBHBOHUAKKGQ-UHFFFAOYSA-N 1 1 451.575 3.277 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001304705129 1067777825 /nfs/dbraw/zinc/77/78/25/1067777825.db2.gz NDVDTYPBNKRNKQ-OAHLLOKOSA-N 1 1 490.381 3.144 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001304706041 1067779080 /nfs/dbraw/zinc/77/90/80/1067779080.db2.gz XYODUDUNGCSWKV-MRXNPFEDSA-N 1 1 483.425 3.470 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001304707512 1067779306 /nfs/dbraw/zinc/77/93/06/1067779306.db2.gz LJZXJAGPHUSFMQ-NQIIRXRSSA-N 1 1 480.617 3.209 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F ZINC001304708187 1067779725 /nfs/dbraw/zinc/77/97/25/1067779725.db2.gz XQOLLVBSGDUNJR-YLJYHZDGSA-N 1 1 491.591 3.285 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303254670 1067780010 /nfs/dbraw/zinc/78/00/10/1067780010.db2.gz FJPGXYZGRDHEAQ-OAQYLSRUSA-N 1 1 480.579 3.355 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001304709859 1067780686 /nfs/dbraw/zinc/78/06/86/1067780686.db2.gz ZMRPCJQXGSDJAP-KRWDZBQOSA-N 1 1 483.598 3.065 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001304709906 1067780758 /nfs/dbraw/zinc/78/07/58/1067780758.db2.gz ALPOOLXMOFVGOZ-AZUAARDMSA-N 1 1 480.617 3.209 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001304710158 1067780949 /nfs/dbraw/zinc/78/09/49/1067780949.db2.gz FHPYTXXPVFPSSL-RTHCMUBDSA-N 1 1 463.611 3.404 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001304710252 1067781006 /nfs/dbraw/zinc/78/10/06/1067781006.db2.gz GRTNOHNEYBUNFI-UHFFFAOYSA-N 1 1 464.542 3.035 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001303255221 1067781147 /nfs/dbraw/zinc/78/11/47/1067781147.db2.gz ZQGMROQKGJUATB-JOCHJYFZSA-N 1 1 467.662 3.311 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001304710194 1067781180 /nfs/dbraw/zinc/78/11/80/1067781180.db2.gz FCOCYZQYFCAEAI-UHFFFAOYSA-N 1 1 487.555 3.446 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(F)(F)F ZINC001303255180 1067781174 /nfs/dbraw/zinc/78/11/74/1067781174.db2.gz YDBSWWWPMDGYIT-GOSISDBHSA-N 1 1 473.565 3.067 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccn2)CC1 ZINC001303255203 1067781213 /nfs/dbraw/zinc/78/12/13/1067781213.db2.gz YYNVRGRRJWDLKY-UHFFFAOYSA-N 1 1 467.662 3.444 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001304710575 1067781443 /nfs/dbraw/zinc/78/14/43/1067781443.db2.gz KMBFNCSBVKNVLB-KRWDZBQOSA-N 1 1 454.884 3.495 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1 ZINC001304710572 1067781468 /nfs/dbraw/zinc/78/14/68/1067781468.db2.gz KKYJBUIPDOXJNI-IBGZPJMESA-N 1 1 471.562 3.021 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001304711890 1067782826 /nfs/dbraw/zinc/78/28/26/1067782826.db2.gz GKJROJNURLFIFZ-SFHVURJKSA-N 1 1 485.564 3.019 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001303256589 1067783166 /nfs/dbraw/zinc/78/31/66/1067783166.db2.gz MJYFQRGMCMUXSX-UHFFFAOYSA-N 1 1 491.644 3.434 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@H](C)C1 ZINC001304712585 1067783757 /nfs/dbraw/zinc/78/37/57/1067783757.db2.gz TWKAZDALGXNLBC-QUCCMNQESA-N 1 1 473.622 3.213 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001304712900 1067783980 /nfs/dbraw/zinc/78/39/80/1067783980.db2.gz AWWKAMAIXJIDCG-JOCHJYFZSA-N 1 1 493.656 3.483 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001304712918 1067784038 /nfs/dbraw/zinc/78/40/38/1067784038.db2.gz BSBWTWKYGKJOLT-UKRRQHHQSA-N 1 1 467.521 3.109 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001304712944 1067784329 /nfs/dbraw/zinc/78/43/29/1067784329.db2.gz CKSPRQGREWPPEJ-LNLFQRSKSA-N 1 1 459.595 3.169 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2COCCO2)CC1 ZINC001303257625 1067784757 /nfs/dbraw/zinc/78/47/57/1067784757.db2.gz WYDKQTSGZVWREW-IBGZPJMESA-N 1 1 495.466 3.398 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001303258658 1067785043 /nfs/dbraw/zinc/78/50/43/1067785043.db2.gz NOWFSPWNUYERBR-UHFFFAOYSA-N 1 1 491.677 3.389 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304714263 1067785419 /nfs/dbraw/zinc/78/54/19/1067785419.db2.gz NQFKZCCRDWTKML-INIZCTEOSA-N 1 1 458.010 3.306 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304714263 1067785427 /nfs/dbraw/zinc/78/54/27/1067785427.db2.gz NQFKZCCRDWTKML-INIZCTEOSA-N 1 1 458.010 3.306 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001303261515 1067787437 /nfs/dbraw/zinc/78/74/37/1067787437.db2.gz LKUFECROWBGMOX-HKUYNNGSSA-N 1 1 475.435 3.153 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 ZINC001303261523 1067787549 /nfs/dbraw/zinc/78/75/49/1067787549.db2.gz LPDPPANJYZOTEW-UHFFFAOYSA-N 1 1 473.025 3.244 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001304716588 1067788251 /nfs/dbraw/zinc/78/82/51/1067788251.db2.gz VLGRMNJPGSFBTG-UHFFFAOYSA-N 1 1 459.982 3.067 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001303261698 1067788407 /nfs/dbraw/zinc/78/84/07/1067788407.db2.gz SKQNOSXMSXROOD-LEWJYISDSA-N 1 1 484.636 3.042 20 0 JGADMO Cc1nccnc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304716705 1067788728 /nfs/dbraw/zinc/78/87/28/1067788728.db2.gz YSNBHKSBKIFYFI-FYYLOGMGSA-N 1 1 485.677 3.085 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001303262576 1067789694 /nfs/dbraw/zinc/78/96/94/1067789694.db2.gz HLKGWLOLJCEPIK-UHFFFAOYSA-N 1 1 497.047 3.149 20 0 JGADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)C1 ZINC001304718378 1067789745 /nfs/dbraw/zinc/78/97/45/1067789745.db2.gz MUMQQROOIJQSBZ-ZDUSSCGKSA-N 1 1 459.768 3.099 20 0 JGADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)C1 ZINC001304718378 1067789753 /nfs/dbraw/zinc/78/97/53/1067789753.db2.gz MUMQQROOIJQSBZ-ZDUSSCGKSA-N 1 1 459.768 3.099 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2F)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304720211 1067791407 /nfs/dbraw/zinc/79/14/07/1067791407.db2.gz MEUQCSKZMDNPOO-HXUWFJFHSA-N 1 1 469.609 3.428 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001303264064 1067791625 /nfs/dbraw/zinc/79/16/25/1067791625.db2.gz AHYFQSJQLTXJFP-RDPSFJRHSA-N 1 1 462.038 3.350 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001303264698 1067791883 /nfs/dbraw/zinc/79/18/83/1067791883.db2.gz MZGGZGCKANAYMS-XMMPIXPASA-N 1 1 470.021 3.303 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001303265416 1067792420 /nfs/dbraw/zinc/79/24/20/1067792420.db2.gz INSBPLDRZRUJQF-JOCHJYFZSA-N 1 1 475.726 3.120 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001303265806 1067792846 /nfs/dbraw/zinc/79/28/46/1067792846.db2.gz LGGSMIHJRZTYNG-NRFANRHFSA-N 1 1 475.659 3.000 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCCO1 ZINC001303265796 1067792866 /nfs/dbraw/zinc/79/28/66/1067792866.db2.gz LACDXYDKTCOVEF-NHCUHLMSSA-N 1 1 494.681 3.322 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCCO1 ZINC001303265797 1067792875 /nfs/dbraw/zinc/79/28/75/1067792875.db2.gz LACDXYDKTCOVEF-RTWAWAEBSA-N 1 1 494.681 3.322 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303266261 1067793134 /nfs/dbraw/zinc/79/31/34/1067793134.db2.gz XQVSDRLJNUSUCA-IBGZPJMESA-N 1 1 457.623 3.421 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC001303266513 1067793809 /nfs/dbraw/zinc/79/38/09/1067793809.db2.gz RAQRNEINIMFFPP-FCHUYYIVSA-N 1 1 459.660 3.122 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001303267207 1067794072 /nfs/dbraw/zinc/79/40/72/1067794072.db2.gz ZMCHOTZKPVKUPF-HSZRJFAPSA-N 1 1 468.646 3.255 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Br ZINC001303266820 1067794279 /nfs/dbraw/zinc/79/42/79/1067794279.db2.gz VWZGADHKKKAOOU-GOSISDBHSA-N 1 1 498.491 3.309 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001303267215 1067794345 /nfs/dbraw/zinc/79/43/45/1067794345.db2.gz ZPFNPCPYVQMSJH-UHFFFAOYSA-N 1 1 471.053 3.313 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001303267718 1067794921 /nfs/dbraw/zinc/79/49/21/1067794921.db2.gz GMUIUFUNZHGHIQ-VWLOTQADSA-N 1 1 452.578 3.231 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001303267937 1067795250 /nfs/dbraw/zinc/79/52/50/1067795250.db2.gz KVDDJIQRKOOSKZ-SZPZYZBQSA-N 1 1 483.661 3.297 20 0 JGADMO CC(C)[N@H+](C)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1 ZINC001303267892 1067795402 /nfs/dbraw/zinc/79/54/02/1067795402.db2.gz JGHWOUMMWVNMGG-UHFFFAOYSA-N 1 1 475.632 3.219 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1 ZINC001303267892 1067795415 /nfs/dbraw/zinc/79/54/15/1067795415.db2.gz JGHWOUMMWVNMGG-UHFFFAOYSA-N 1 1 475.632 3.219 20 0 JGADMO CC(C)[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCC2)CC1 ZINC001303268319 1067795993 /nfs/dbraw/zinc/79/59/93/1067795993.db2.gz FGSSYPIFXQJNAA-OYRHEFFESA-N 1 1 489.709 3.454 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCC2)CC1 ZINC001303268319 1067796002 /nfs/dbraw/zinc/79/60/02/1067796002.db2.gz FGSSYPIFXQJNAA-OYRHEFFESA-N 1 1 489.709 3.454 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C ZINC001303268376 1067796261 /nfs/dbraw/zinc/79/62/61/1067796261.db2.gz GXQRFEIXVPFKIM-UYAOXDASSA-N 1 1 450.672 3.278 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001303268984 1067797300 /nfs/dbraw/zinc/79/73/00/1067797300.db2.gz OUOQWOJOPQOUEG-FGZHOGPDSA-N 1 1 489.709 3.311 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001303268960 1067797500 /nfs/dbraw/zinc/79/75/00/1067797500.db2.gz VWICQJBDXVILIG-HSZRJFAPSA-N 1 1 464.010 3.237 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(N2CCN(CC(=O)N3CCc4ccccc43)CC2)nnc1C(C)(C)C ZINC001303268870 1067797557 /nfs/dbraw/zinc/79/75/57/1067797557.db2.gz NXJDTUSSDKMYDD-UHFFFAOYSA-N 1 1 481.689 3.017 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303268858 1067797571 /nfs/dbraw/zinc/79/75/71/1067797571.db2.gz NPNKYGAKBLUYCF-UHFFFAOYSA-N 1 1 466.472 3.307 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001303269227 1067798029 /nfs/dbraw/zinc/79/80/29/1067798029.db2.gz UUZJYWGFVAYDOI-HXUWFJFHSA-N 1 1 461.010 3.086 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001303269457 1067798208 /nfs/dbraw/zinc/79/82/08/1067798208.db2.gz ZALUDGGUMYTXRH-FQEVSTJZSA-N 1 1 488.434 3.150 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCN(C)CC(F)(F)F)CC1 ZINC001304726018 1067798280 /nfs/dbraw/zinc/79/82/80/1067798280.db2.gz OGCJJPXKOXZZSI-UHFFFAOYSA-N 1 1 498.642 3.423 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C ZINC001303269477 1067798453 /nfs/dbraw/zinc/79/84/53/1067798453.db2.gz ZMPXELRFMLICTQ-VAMGGRTRSA-N 1 1 458.655 3.397 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2CCC(=O)Nc2ccccc2)CC1 ZINC001304726210 1067798805 /nfs/dbraw/zinc/79/88/05/1067798805.db2.gz WHFDTLHBJCTLRO-UHFFFAOYSA-N 1 1 464.618 3.103 20 0 JGADMO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001303270115 1067798866 /nfs/dbraw/zinc/79/88/66/1067798866.db2.gz GSWMUPFWKYASRS-UHFFFAOYSA-N 1 1 471.053 3.385 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001303270115 1067798872 /nfs/dbraw/zinc/79/88/72/1067798872.db2.gz GSWMUPFWKYASRS-UHFFFAOYSA-N 1 1 471.053 3.385 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2Cc2ccccc2OCC(C)C)CC1 ZINC001304726274 1067799077 /nfs/dbraw/zinc/79/90/77/1067799077.db2.gz SZNBDBGEFBCSQW-UHFFFAOYSA-N 1 1 451.619 3.342 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccn2)CC1 ZINC001304726582 1067799129 /nfs/dbraw/zinc/79/91/29/1067799129.db2.gz XWMSXYPHHQNCQM-UHFFFAOYSA-N 1 1 450.635 3.177 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001303270690 1067799175 /nfs/dbraw/zinc/79/91/75/1067799175.db2.gz FKHAOTPJANYZKR-NRFANRHFSA-N 1 1 461.614 3.327 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001303270883 1067799555 /nfs/dbraw/zinc/79/95/55/1067799555.db2.gz MIPDVIRCUSWJTC-RTBURBONSA-N 1 1 493.425 3.434 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001303271397 1067799984 /nfs/dbraw/zinc/79/99/84/1067799984.db2.gz QTVLHRJZXCJKMN-UHFFFAOYSA-N 1 1 463.424 3.140 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001303271999 1067801108 /nfs/dbraw/zinc/80/11/08/1067801108.db2.gz WWHDDXGNELEWCV-QGZVFWFLSA-N 1 1 482.551 3.129 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001303272040 1067801164 /nfs/dbraw/zinc/80/11/64/1067801164.db2.gz XUIVEOZEDLHKMK-UHFFFAOYSA-N 1 1 460.026 3.323 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001303272039 1067801200 /nfs/dbraw/zinc/80/12/00/1067801200.db2.gz XTCKYHWZJKCPNT-ZWKOTPCHSA-N 1 1 460.648 3.035 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001303272178 1067801269 /nfs/dbraw/zinc/80/12/69/1067801269.db2.gz ZEQZHETWNWRBGA-SFHVURJKSA-N 1 1 462.042 3.465 20 0 JGADMO CC(C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 ZINC001303274366 1067801818 /nfs/dbraw/zinc/80/18/18/1067801818.db2.gz DMIFDPCSHWKHNF-QHCPKHFHSA-N 1 1 462.683 3.189 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 ZINC001303274366 1067801826 /nfs/dbraw/zinc/80/18/26/1067801826.db2.gz DMIFDPCSHWKHNF-QHCPKHFHSA-N 1 1 462.683 3.189 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303272192 1067801907 /nfs/dbraw/zinc/80/19/07/1067801907.db2.gz ZZOJBVNAVKGGJI-FQEVSTJZSA-N 1 1 485.658 3.079 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001303275993 1067803427 /nfs/dbraw/zinc/80/34/27/1067803427.db2.gz IEGDNRCNJHSLPE-SFHVURJKSA-N 1 1 498.441 3.413 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001303275808 1067803583 /nfs/dbraw/zinc/80/35/83/1067803583.db2.gz HNJJVMSAVUWTNH-QHCPKHFHSA-N 1 1 486.636 3.280 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001303276390 1067804040 /nfs/dbraw/zinc/80/40/40/1067804040.db2.gz MEMQOZUXEJHLMR-NRFANRHFSA-N 1 1 466.609 3.243 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001303276384 1067804052 /nfs/dbraw/zinc/80/40/52/1067804052.db2.gz LVWWUDMYHQNTGC-NRFANRHFSA-N 1 1 459.610 3.370 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303278256 1067805532 /nfs/dbraw/zinc/80/55/32/1067805532.db2.gz ZZFBGENMNSAUER-VQTJNVASSA-N 1 1 464.655 3.348 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001303278227 1067805635 /nfs/dbraw/zinc/80/56/35/1067805635.db2.gz ZMCLLSMCBKXOPL-LJQANCHMSA-N 1 1 450.628 3.163 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 ZINC001303278386 1067806630 /nfs/dbraw/zinc/80/66/30/1067806630.db2.gz BRKPTTDBWUZGBS-IBGZPJMESA-N 1 1 458.611 3.117 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001303278557 1067807141 /nfs/dbraw/zinc/80/71/41/1067807141.db2.gz JDLCBHLKKIFYDL-HNNXBMFYSA-N 1 1 469.417 3.171 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001304736511 1067811070 /nfs/dbraw/zinc/81/10/70/1067811070.db2.gz MEXGJKOUWVTIBQ-WOJBJXKFSA-N 1 1 499.685 3.223 20 0 JGADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001304737804 1067811943 /nfs/dbraw/zinc/81/19/43/1067811943.db2.gz RDMRQMRTIUEPAZ-NRFANRHFSA-N 1 1 470.597 3.386 20 0 JGADMO CC(C)N(Cc1cccs1)c1nnc(-c2cnccn2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303285002 1067811816 /nfs/dbraw/zinc/81/18/16/1067811816.db2.gz HJLAGGVZVBTDCU-UHFFFAOYSA-N 1 1 468.675 3.485 20 0 JGADMO CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCCO2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303287063 1067813256 /nfs/dbraw/zinc/81/32/56/1067813256.db2.gz GNBXSTSYKDMYRU-FCHUYYIVSA-N 1 1 472.634 3.470 20 0 JGADMO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1)C(C)C ZINC001303291302 1067815706 /nfs/dbraw/zinc/81/57/06/1067815706.db2.gz NGYXABAJRATNLG-JOCHJYFZSA-N 1 1 455.651 3.150 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCSC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001304740682 1067815779 /nfs/dbraw/zinc/81/57/79/1067815779.db2.gz QTACGYDXUYGIQF-NRFANRHFSA-N 1 1 457.623 3.353 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001304741077 1067816702 /nfs/dbraw/zinc/81/67/02/1067816702.db2.gz XUERTWZMLYLDOG-QFIPXVFZSA-N 1 1 487.052 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCC2(F)CCC2)n1 ZINC001304741055 1067816780 /nfs/dbraw/zinc/81/67/80/1067816780.db2.gz OOBBDUUWZHACCY-UHFFFAOYSA-N 1 1 461.630 3.217 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCCCS2)n1 ZINC001304740992 1067816921 /nfs/dbraw/zinc/81/69/21/1067816921.db2.gz NECKATNJOJOUFK-NRFANRHFSA-N 1 1 475.707 3.220 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001304742633 1067819854 /nfs/dbraw/zinc/81/98/54/1067819854.db2.gz VZGUHVAPMDYZCO-QHCPKHFHSA-N 1 1 495.676 3.046 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2ccc(F)cc2C)n1 ZINC001304744686 1067823056 /nfs/dbraw/zinc/82/30/56/1067823056.db2.gz HMUOMZIIFQDVRH-SZPZYZBQSA-N 1 1 483.636 3.375 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2ccc(F)cc2C)n1 ZINC001304744686 1067823072 /nfs/dbraw/zinc/82/30/72/1067823072.db2.gz HMUOMZIIFQDVRH-SZPZYZBQSA-N 1 1 483.636 3.375 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)n2CCC(C)C)n1 ZINC001304745552 1067824967 /nfs/dbraw/zinc/82/49/67/1067824967.db2.gz NAVZKXPHYVFQOS-XUZZJYLKSA-N 1 1 467.666 3.439 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304747361 1067826794 /nfs/dbraw/zinc/82/67/94/1067826794.db2.gz AFUXXVDCYVCXLD-UNMCSNQZSA-N 1 1 484.693 3.001 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc4cccnc43)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001303302502 1067827127 /nfs/dbraw/zinc/82/71/27/1067827127.db2.gz KEUWVWLKHVHWEM-FQEVSTJZSA-N 1 1 484.670 3.485 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001303303289 1067828606 /nfs/dbraw/zinc/82/86/06/1067828606.db2.gz UHJQCNNOVOXYTO-SFHVURJKSA-N 1 1 493.027 3.153 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001303303227 1067828751 /nfs/dbraw/zinc/82/87/51/1067828751.db2.gz DRXWOAQKGHFAGB-FGZHOGPDSA-N 1 1 460.667 3.335 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303303855 1067829718 /nfs/dbraw/zinc/82/97/18/1067829718.db2.gz AHWBFNPPSBSPPV-GBESFXJTSA-N 1 1 458.573 3.323 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001303304112 1067830570 /nfs/dbraw/zinc/83/05/70/1067830570.db2.gz CFPYRRQUSWKWHS-AZUAARDMSA-N 1 1 496.077 3.254 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001303303999 1067830599 /nfs/dbraw/zinc/83/05/99/1067830599.db2.gz BVPLKAARYOMQOR-XMMPIXPASA-N 1 1 477.053 3.189 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccs2)CC1 ZINC001303305111 1067832973 /nfs/dbraw/zinc/83/29/73/1067832973.db2.gz MURGKIKSXJFXAA-UHFFFAOYSA-N 1 1 450.410 3.461 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303305519 1067833731 /nfs/dbraw/zinc/83/37/31/1067833731.db2.gz UJCSTQUNUWYWRH-IBGZPJMESA-N 1 1 495.594 3.299 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncc(F)cn3)CC2)C1 ZINC001303305800 1067834197 /nfs/dbraw/zinc/83/41/97/1067834197.db2.gz WFBSWUWGELNZNW-LJQANCHMSA-N 1 1 458.630 3.243 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001303305944 1067834488 /nfs/dbraw/zinc/83/44/88/1067834488.db2.gz WZLDPPNSKQIMDQ-FQEVSTJZSA-N 1 1 455.651 3.099 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001304753878 1067835054 /nfs/dbraw/zinc/83/50/54/1067835054.db2.gz LWCCCQNBASRYGU-LPHOPBHVSA-N 1 1 483.583 3.154 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001304753880 1067835120 /nfs/dbraw/zinc/83/51/20/1067835120.db2.gz LWCCCQNBASRYGU-QFBILLFUSA-N 1 1 483.583 3.154 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304755631 1067838355 /nfs/dbraw/zinc/83/83/55/1067838355.db2.gz DXSHAMPVKOVLMI-NRFANRHFSA-N 1 1 488.681 3.221 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)CC1 ZINC001303310762 1067839017 /nfs/dbraw/zinc/83/90/17/1067839017.db2.gz LFYYPNBGYWMYDL-ZCNNSNEGSA-N 1 1 462.639 3.148 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCn2cnnn2)CC1 ZINC001303311448 1067840473 /nfs/dbraw/zinc/84/04/73/1067840473.db2.gz XZCZRXJOMBTNQF-UHFFFAOYSA-N 1 1 481.649 3.152 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001303311988 1067841686 /nfs/dbraw/zinc/84/16/86/1067841686.db2.gz TXFPDGMUJREOPD-UHFFFAOYSA-N 1 1 491.478 3.349 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCNC(=O)OC(C)(C)C)n1 ZINC001304757975 1067841887 /nfs/dbraw/zinc/84/18/87/1067841887.db2.gz BEYVQTFHTPVFMM-UHFFFAOYSA-N 1 1 488.681 3.365 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001304758535 1067843314 /nfs/dbraw/zinc/84/33/14/1067843314.db2.gz GFKQTTPSFIQTFF-NRFANRHFSA-N 1 1 496.626 3.335 20 0 JGADMO CC(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303316820 1067844456 /nfs/dbraw/zinc/84/44/56/1067844456.db2.gz KGVHZAUKCFGZFQ-NRFANRHFSA-N 1 1 499.660 3.242 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(-c4ccccn4)n3CCCOCC(F)F)CC2)CC1 ZINC001303317126 1067845252 /nfs/dbraw/zinc/84/52/52/1067845252.db2.gz QVIHRNAUVINSCB-UHFFFAOYSA-N 1 1 477.604 3.007 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318213 1067848594 /nfs/dbraw/zinc/84/85/94/1067848594.db2.gz KZGZDXIBBWMIFF-LJQANCHMSA-N 1 1 495.594 3.160 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCSC3(C)C)CC2)C1 ZINC001303318155 1067848665 /nfs/dbraw/zinc/84/86/65/1067848665.db2.gz JHOBPTSDGHTJGJ-LEWJYISDSA-N 1 1 478.751 3.339 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318222 1067849258 /nfs/dbraw/zinc/84/92/58/1067849258.db2.gz LKYNQZCIMQNVHR-FQEVSTJZSA-N 1 1 495.594 3.160 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001304762534 1067849529 /nfs/dbraw/zinc/84/95/29/1067849529.db2.gz JWLQNQOJJDRYJE-FQEVSTJZSA-N 1 1 495.525 3.178 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304763466 1067851630 /nfs/dbraw/zinc/85/16/30/1067851630.db2.gz QODZNETULYZIKC-GJZUVCINSA-N 1 1 487.693 3.138 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001304765381 1067855399 /nfs/dbraw/zinc/85/53/99/1067855399.db2.gz UUUBJXKFGLJUSE-NSISKUIASA-N 1 1 483.583 3.011 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCCC(F)(F)F ZINC001303328691 1067856690 /nfs/dbraw/zinc/85/66/90/1067856690.db2.gz PDSCLDFZPQQGQB-GOSISDBHSA-N 1 1 452.525 3.470 20 0 JGADMO Cc1cc(C)n(CC2CCN(c3nnc(-c4cnccn4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001304766509 1067856847 /nfs/dbraw/zinc/85/68/47/1067856847.db2.gz CULUIUAGJHLFLA-UHFFFAOYSA-N 1 1 451.623 3.195 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303334906 1067863990 /nfs/dbraw/zinc/86/39/90/1067863990.db2.gz ANXCZCCNJCABPV-GFCCVEGCSA-N 1 1 459.542 3.011 20 0 JGADMO Cc1cc(C)n(CCCn2c(Cc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001304772285 1067864786 /nfs/dbraw/zinc/86/47/86/1067864786.db2.gz FVJLHTCEGFNJES-UHFFFAOYSA-N 1 1 450.635 3.478 20 0 JGADMO Cc1nnc([C@H]2CN(c3nnc(-c4cccc(Br)c4)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001304774770 1067867931 /nfs/dbraw/zinc/86/79/31/1067867931.db2.gz LCIFJICHKVZOEB-GOSISDBHSA-N 1 1 490.406 3.317 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001303340936 1067869687 /nfs/dbraw/zinc/86/96/87/1067869687.db2.gz LRHRQDPHDKVOIV-UHFFFAOYSA-N 1 1 474.625 3.080 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001303340936 1067869697 /nfs/dbraw/zinc/86/96/97/1067869697.db2.gz LRHRQDPHDKVOIV-UHFFFAOYSA-N 1 1 474.625 3.080 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccccc1)C1CC1 ZINC001303342035 1067870491 /nfs/dbraw/zinc/87/04/91/1067870491.db2.gz LCXBQCTWMAAJQX-ZRCGQRJVSA-N 1 1 468.646 3.156 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccccc1)C1CC1 ZINC001303342035 1067870498 /nfs/dbraw/zinc/87/04/98/1067870498.db2.gz LCXBQCTWMAAJQX-ZRCGQRJVSA-N 1 1 468.646 3.156 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303341973 1067870601 /nfs/dbraw/zinc/87/06/01/1067870601.db2.gz IZTIWHCREOKIRU-LJQANCHMSA-N 1 1 456.635 3.114 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1CCC[N@@H+](C)C(C)C ZINC001303346885 1067873541 /nfs/dbraw/zinc/87/35/41/1067873541.db2.gz JHJIMZGTAHUZFK-RNHFSVANSA-N 1 1 460.667 3.321 20 0 JGADMO Cc1nnc(CCn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001304784962 1067879639 /nfs/dbraw/zinc/87/96/39/1067879639.db2.gz YJNFGXNGFGXHNJ-QHCPKHFHSA-N 1 1 477.679 3.032 20 0 JGADMO CC(C)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303353376 1067880313 /nfs/dbraw/zinc/88/03/13/1067880313.db2.gz NRIPHGSPADFKLU-KDURUIRLSA-N 1 1 472.634 3.098 20 0 JGADMO Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304789040 1067881763 /nfs/dbraw/zinc/88/17/63/1067881763.db2.gz SNIRAMGRHFOZAD-RTBURBONSA-N 1 1 456.591 3.241 20 0 JGADMO Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001304810068 1067887388 /nfs/dbraw/zinc/88/73/88/1067887388.db2.gz PMSZUOFMAZBLKE-TWOQFEAHSA-N 1 1 453.509 3.012 20 0 JGADMO Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001304810068 1067887395 /nfs/dbraw/zinc/88/73/95/1067887395.db2.gz PMSZUOFMAZBLKE-TWOQFEAHSA-N 1 1 453.509 3.012 20 0 JGADMO Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001304810762 1067887828 /nfs/dbraw/zinc/88/78/28/1067887828.db2.gz CFSQPWHEASAYEO-MRXNPFEDSA-N 1 1 465.520 3.203 20 0 JGADMO Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001304810762 1067887834 /nfs/dbraw/zinc/88/78/34/1067887834.db2.gz CFSQPWHEASAYEO-MRXNPFEDSA-N 1 1 465.520 3.203 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001303360095 1067888103 /nfs/dbraw/zinc/88/81/03/1067888103.db2.gz LMHLZNLVRVFNKI-QFIPXVFZSA-N 1 1 468.646 3.334 20 0 JGADMO Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001304812625 1067888703 /nfs/dbraw/zinc/88/87/03/1067888703.db2.gz ZUTMSPXFWRQTIM-PMOQBDJRSA-N 1 1 484.645 3.227 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001303365384 1067892685 /nfs/dbraw/zinc/89/26/85/1067892685.db2.gz APPZTZNRISSUAQ-UHFFFAOYSA-N 1 1 498.676 3.115 20 0 JGADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001304822946 1067892922 /nfs/dbraw/zinc/89/29/22/1067892922.db2.gz TYVYBSWIUHIDRP-NQIIRXRSSA-N 1 1 472.600 3.331 20 0 JGADMO Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001304822948 1067893011 /nfs/dbraw/zinc/89/30/11/1067893011.db2.gz TYVYBSWIUHIDRP-WIYYLYMNSA-N 1 1 472.600 3.331 20 0 JGADMO Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001304827307 1067895393 /nfs/dbraw/zinc/89/53/93/1067895393.db2.gz VPCFURBJFHERKP-HSZRJFAPSA-N 1 1 484.645 3.371 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001303367476 1067896945 /nfs/dbraw/zinc/89/69/45/1067896945.db2.gz TYKYLVPALJFNIL-WSTZPKSXSA-N 1 1 482.620 3.177 20 0 JGADMO CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001303367975 1067897212 /nfs/dbraw/zinc/89/72/12/1067897212.db2.gz IRSMRYKLHSWAPS-SYUUKGODSA-N 1 1 457.615 3.381 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001303369703 1067899046 /nfs/dbraw/zinc/89/90/46/1067899046.db2.gz RCGXXXKKISFFHM-FUDKSRODSA-N 1 1 468.646 3.332 20 0 JGADMO Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001304845524 1067901462 /nfs/dbraw/zinc/90/14/62/1067901462.db2.gz PNNCMDBHTOSYSZ-UHFFFAOYSA-N 1 1 456.591 3.272 20 0 JGADMO Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001304848996 1067902339 /nfs/dbraw/zinc/90/23/39/1067902339.db2.gz IVLMYUPZGXEOGO-IBGZPJMESA-N 1 1 460.573 3.195 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCc1ccc(Cl)s1 ZINC001304858278 1067908070 /nfs/dbraw/zinc/90/80/70/1067908070.db2.gz GPRSNTCAMNJQOW-GOSISDBHSA-N 1 1 462.019 3.106 20 0 JGADMO Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001304859363 1067909227 /nfs/dbraw/zinc/90/92/27/1067909227.db2.gz GFSJZSHLYKEPBE-UHFFFAOYSA-N 1 1 452.506 3.311 20 0 JGADMO Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304860052 1067910108 /nfs/dbraw/zinc/91/01/08/1067910108.db2.gz GCVSXPKPKNIUOK-REWPJTCUSA-N 1 1 453.635 3.079 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303380320 1067910103 /nfs/dbraw/zinc/91/01/03/1067910103.db2.gz YEHVNAYSTDTUAV-QHCPKHFHSA-N 1 1 460.623 3.021 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1cccc(CO)c1 ZINC001303387825 1067916178 /nfs/dbraw/zinc/91/61/78/1067916178.db2.gz HGMZCKDZEQECBR-OFNKIYASSA-N 1 1 468.646 3.048 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CCC[N@@H+](C)C(C)C ZINC001303389489 1067918419 /nfs/dbraw/zinc/91/84/19/1067918419.db2.gz SSYVRJJFGUTBKN-KRWDZBQOSA-N 1 1 484.571 3.203 20 0 JGADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CCOCC1 ZINC001303393283 1067921930 /nfs/dbraw/zinc/92/19/30/1067921930.db2.gz RXBJYBWMYDRQLE-JOCHJYFZSA-N 1 1 455.986 3.490 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCOc1ccc(F)cc1 ZINC001303396613 1067924047 /nfs/dbraw/zinc/92/40/47/1067924047.db2.gz MSNOXUXGWLKQSV-UHFFFAOYSA-N 1 1 460.598 3.335 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001303396705 1067924521 /nfs/dbraw/zinc/92/45/21/1067924521.db2.gz PVPADUSGCYNAOE-LJQANCHMSA-N 1 1 493.697 3.276 20 0 JGADMO C[NH+]1CCN([C@@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001303397935 1067926742 /nfs/dbraw/zinc/92/67/42/1067926742.db2.gz FVRPXIQGFCRCET-XLGIIRLISA-N 1 1 456.631 3.271 20 0 JGADMO C[NH+]1CCN([C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001303397934 1067926817 /nfs/dbraw/zinc/92/68/17/1067926817.db2.gz FVRPXIQGFCRCET-TVZXLZGTSA-N 1 1 456.631 3.271 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(Cc4ccccn4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001304889788 1067933737 /nfs/dbraw/zinc/93/37/37/1067933737.db2.gz IXCVUHQMMNUEGO-UHFFFAOYSA-N 1 1 452.607 3.244 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001303407887 1067934852 /nfs/dbraw/zinc/93/48/52/1067934852.db2.gz KOHJHHLVGFPZPT-DEOSSOPVSA-N 1 1 474.675 3.131 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCC1=CCCCC1 ZINC001303408251 1067935221 /nfs/dbraw/zinc/93/52/21/1067935221.db2.gz QSKYFSGVEDIOLD-HSZRJFAPSA-N 1 1 466.630 3.162 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001303410080 1067936561 /nfs/dbraw/zinc/93/65/61/1067936561.db2.gz OIFSBNUHRNSVNJ-UHFFFAOYSA-N 1 1 482.654 3.076 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1cc2ccccc2s1 ZINC001303410815 1067937374 /nfs/dbraw/zinc/93/73/74/1067937374.db2.gz ZGFSAOUNMSQAEP-UHFFFAOYSA-N 1 1 470.643 3.226 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1CC[N@@H+](C)C(C)C ZINC001303414426 1067941191 /nfs/dbraw/zinc/94/11/91/1067941191.db2.gz KQWBNYBYWJDKAR-LJQANCHMSA-N 1 1 493.450 3.097 20 0 JGADMO Cc1cc(CN2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)Cc3ccc(F)cc3)CC2)on1 ZINC001304900688 1067944056 /nfs/dbraw/zinc/94/40/56/1067944056.db2.gz STDNZJAGTLOCRV-UHFFFAOYSA-N 1 1 469.609 3.465 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001303419990 1067945876 /nfs/dbraw/zinc/94/58/76/1067945876.db2.gz WHSDRTVRLVLTIS-VQIMIIECSA-N 1 1 464.536 3.109 20 0 JGADMO CC(C)NC(=O)c1nnc(Nc2ccn(C)n2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303421821 1067947636 /nfs/dbraw/zinc/94/76/36/1067947636.db2.gz YHJSBCBXZNOXKM-ICSRJNTNSA-N 1 1 450.591 3.194 20 0 JGADMO CC(C)NC(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303422962 1067948320 /nfs/dbraw/zinc/94/83/20/1067948320.db2.gz IAJXKWGLBBODPL-RTBURBONSA-N 1 1 458.582 3.146 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303425446 1067950170 /nfs/dbraw/zinc/95/01/70/1067950170.db2.gz NHJNEMWRBUYQGE-KRWDZBQOSA-N 1 1 493.425 3.436 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001303425880 1067950920 /nfs/dbraw/zinc/95/09/20/1067950920.db2.gz YOTPCUCMFSOSSS-UHFFFAOYSA-N 1 1 468.602 3.153 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001303425880 1067950931 /nfs/dbraw/zinc/95/09/31/1067950931.db2.gz YOTPCUCMFSOSSS-UHFFFAOYSA-N 1 1 468.602 3.153 20 0 JGADMO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304912363 1067956153 /nfs/dbraw/zinc/95/61/53/1067956153.db2.gz OQPLERRFLHVNGF-QHAWAJNXSA-N 1 1 487.737 3.121 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912918 1067956808 /nfs/dbraw/zinc/95/68/08/1067956808.db2.gz RIFXWGUNFWBIRM-PLACYPQZSA-N 1 1 490.718 3.278 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304915532 1067959478 /nfs/dbraw/zinc/95/94/78/1067959478.db2.gz DFPXYJVOCDZZCD-ZCNNSNEGSA-N 1 1 488.702 3.208 20 0 JGADMO CC(C)[N@H+](C)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001304916144 1067959831 /nfs/dbraw/zinc/95/98/31/1067959831.db2.gz DTQFJRJUIWZTRO-ZEQRLZLVSA-N 1 1 467.706 3.465 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001304916144 1067959835 /nfs/dbraw/zinc/95/98/35/1067959835.db2.gz DTQFJRJUIWZTRO-ZEQRLZLVSA-N 1 1 467.706 3.465 20 0 JGADMO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001304918501 1067961108 /nfs/dbraw/zinc/96/11/08/1067961108.db2.gz HFPOHRFDTLWLHT-VTJXTGGHSA-N 1 1 466.399 3.396 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303440964 1067963192 /nfs/dbraw/zinc/96/31/92/1067963192.db2.gz MCQJGIJIPYQUDM-OFNKIYASSA-N 1 1 484.645 3.406 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001303441416 1067963989 /nfs/dbraw/zinc/96/39/89/1067963989.db2.gz UALRPSKOXMVSBX-FQEVSTJZSA-N 1 1 470.662 3.097 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001303441416 1067963996 /nfs/dbraw/zinc/96/39/96/1067963996.db2.gz UALRPSKOXMVSBX-FQEVSTJZSA-N 1 1 470.662 3.097 20 0 JGADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001304923236 1067964732 /nfs/dbraw/zinc/96/47/32/1067964732.db2.gz AOBOGXATVZHHEK-ACESQOTJSA-N 1 1 460.711 3.491 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN2CCOCC2)C1 ZINC001304923754 1067965903 /nfs/dbraw/zinc/96/59/03/1067965903.db2.gz FLKHDPFJHIYYLU-BGYRXZFFSA-N 1 1 476.069 3.130 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923980 1067966270 /nfs/dbraw/zinc/96/62/70/1067966270.db2.gz HZBCQNLGCNXLGO-LUYSREMJSA-N 1 1 466.696 3.025 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303444267 1067966423 /nfs/dbraw/zinc/96/64/23/1067966423.db2.gz RYLZIBQWKYMGDN-AKIFATBCSA-N 1 1 468.646 3.391 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cnccn2)C1 ZINC001304924374 1067966938 /nfs/dbraw/zinc/96/69/38/1067966938.db2.gz IHOHOSNFJMDGJT-BGYRXZFFSA-N 1 1 477.617 3.110 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924313 1067967012 /nfs/dbraw/zinc/96/70/12/1067967012.db2.gz IJGOZKHAPXYLDQ-PPGORRQASA-N 1 1 480.723 3.273 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001303448816 1067970572 /nfs/dbraw/zinc/97/05/72/1067970572.db2.gz ZMYYXPVFGCQQDP-FQEVSTJZSA-N 1 1 468.005 3.229 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2nccs2)C1 ZINC001304926555 1067970745 /nfs/dbraw/zinc/97/07/45/1067970745.db2.gz SFEICJSWIQHFQA-KDURUIRLSA-N 1 1 482.658 3.429 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926861 1067971725 /nfs/dbraw/zinc/97/17/25/1067971725.db2.gz UIVVOHIJNQBRLK-OYRHEFFESA-N 1 1 487.718 3.168 20 0 JGADMO C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927078 1067972370 /nfs/dbraw/zinc/97/23/70/1067972370.db2.gz INOQGNHSYFNFKG-IYWMVGAKSA-N 1 1 463.648 3.339 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccsc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304927801 1067974236 /nfs/dbraw/zinc/97/42/36/1067974236.db2.gz WPSFALOVBVWPLQ-ZVDOUQERSA-N 1 1 458.676 3.390 20 0 JGADMO C[C@@H]1C[C@@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927769 1067974262 /nfs/dbraw/zinc/97/42/62/1067974262.db2.gz SEKVFLMKHRZRQI-WTGUMLROSA-N 1 1 474.675 3.251 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928139 1067975129 /nfs/dbraw/zinc/97/51/29/1067975129.db2.gz SVJMDJWUODVLQE-CIAFKFPVSA-N 1 1 460.667 3.322 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001304929488 1067977424 /nfs/dbraw/zinc/97/74/24/1067977424.db2.gz WRAVSTUNNZYKPS-HBMCJLEFSA-N 1 1 482.739 3.051 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(N3CCN(C(=O)c4ccccn4)CC3)nnc2C(C)(C)C)C1 ZINC001304929734 1067978388 /nfs/dbraw/zinc/97/83/88/1067978388.db2.gz YTXDRSWBGVKLNK-OYRHEFFESA-N 1 1 467.662 3.301 20 0 JGADMO C[C@H]1C[C@H](CCn2c(CC(C)(C)C)nnc2N2CCN(C)C(=O)C2)C[N@H+]1Cc1ccccc1 ZINC001304942651 1067993774 /nfs/dbraw/zinc/99/37/74/1067993774.db2.gz YKFBRPLAVXWEAL-UNMCSNQZSA-N 1 1 452.647 3.446 20 0 JGADMO C[C@H]1C[C@@H](CCn2c(CC(C)(C)C)nnc2N2CCN(C)C(=O)C2)C[N@H+]1Cc1ccccc1 ZINC001304942650 1067993886 /nfs/dbraw/zinc/99/38/86/1067993886.db2.gz YKFBRPLAVXWEAL-RBBKRZOGSA-N 1 1 452.647 3.446 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCOC1 ZINC001303480223 1067999927 /nfs/dbraw/zinc/99/99/27/1067999927.db2.gz ARSZQNUZTFYVLE-HOYKHHGWSA-N 1 1 494.084 3.462 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2cccs2)CCOC1 ZINC001303480422 1068000148 /nfs/dbraw/zinc/00/01/48/1068000148.db2.gz AWVKPNMFJUFCPL-XMMPIXPASA-N 1 1 477.675 3.223 20 0 JGADMO C[C@H]1C[C@@H]1n1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304954797 1068002237 /nfs/dbraw/zinc/00/22/37/1068002237.db2.gz YUOXWZMSKYRBNJ-MPTYRVRUSA-N 1 1 451.413 3.172 20 0 JGADMO C[C@H]1C[C@@H]1n1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304954797 1068002251 /nfs/dbraw/zinc/00/22/51/1068002251.db2.gz YUOXWZMSKYRBNJ-MPTYRVRUSA-N 1 1 451.413 3.172 20 0 JGADMO C[C@H]1C[C@@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304956342 1068002279 /nfs/dbraw/zinc/00/22/79/1068002279.db2.gz PDSQYYXGADTGFD-FHWLQOOXSA-N 1 1 462.639 3.478 20 0 JGADMO C[C@H]1C[C@@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304956342 1068002291 /nfs/dbraw/zinc/00/22/91/1068002291.db2.gz PDSQYYXGADTGFD-FHWLQOOXSA-N 1 1 462.639 3.478 20 0 JGADMO C[C@@H]1C[C@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304956338 1068002411 /nfs/dbraw/zinc/00/24/11/1068002411.db2.gz PDSQYYXGADTGFD-CEXWTWQISA-N 1 1 462.639 3.478 20 0 JGADMO C[C@@H]1C[C@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304956338 1068002427 /nfs/dbraw/zinc/00/24/27/1068002427.db2.gz PDSQYYXGADTGFD-CEXWTWQISA-N 1 1 462.639 3.478 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304957277 1068002957 /nfs/dbraw/zinc/00/29/57/1068002957.db2.gz DIXVSTISKULZCQ-AQNXPRMDSA-N 1 1 488.702 3.350 20 0 JGADMO C[C@@H]1C[C@@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304961860 1068005682 /nfs/dbraw/zinc/00/56/82/1068005682.db2.gz POBQPSOYBKCRJM-QYZOEREBSA-N 1 1 462.639 3.478 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303482824 1068005708 /nfs/dbraw/zinc/00/57/08/1068005708.db2.gz ABLQTSSACNRJJC-REWPJTCUSA-N 1 1 485.620 3.157 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303482822 1068006036 /nfs/dbraw/zinc/00/60/36/1068006036.db2.gz ABLQTSSACNRJJC-NZQKXSOJSA-N 1 1 485.620 3.157 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC001303484288 1068007093 /nfs/dbraw/zinc/00/70/93/1068007093.db2.gz OPVYMDDGTHYZPL-ZUVQJFRASA-N 1 1 493.693 3.069 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CCc3ccccc3F)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001303486654 1068008740 /nfs/dbraw/zinc/00/87/40/1068008740.db2.gz AFUUMVGROJFOGO-RUZDIDTESA-N 1 1 457.594 3.399 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2CC(C)(C)C2)CCOC1 ZINC001303486691 1068008826 /nfs/dbraw/zinc/00/88/26/1068008826.db2.gz AYEQECXRTDXZCF-OHUGHZGNSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2CC(C)(C)C2)CCOC1 ZINC001303486691 1068008839 /nfs/dbraw/zinc/00/88/39/1068008839.db2.gz AYEQECXRTDXZCF-OHUGHZGNSA-N 1 1 463.667 3.300 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001304968496 1068009057 /nfs/dbraw/zinc/00/90/57/1068009057.db2.gz DPJXEXOAMLVTBR-TVRKMHQQSA-N 1 1 480.704 3.023 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCC(F)(F)C2)CCOC1 ZINC001303487380 1068009966 /nfs/dbraw/zinc/00/99/66/1068009966.db2.gz KEVNVHUFTWGJEG-XXBNENTESA-N 1 1 485.620 3.301 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCC(F)(F)C2)CCOC1 ZINC001303487380 1068009975 /nfs/dbraw/zinc/00/99/75/1068009975.db2.gz KEVNVHUFTWGJEG-XXBNENTESA-N 1 1 485.620 3.301 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304971640 1068011910 /nfs/dbraw/zinc/01/19/10/1068011910.db2.gz ZHOGLQDVARJBEN-JWHDQAAXSA-N 1 1 454.685 3.024 20 0 JGADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001303490245 1068015041 /nfs/dbraw/zinc/01/50/41/1068015041.db2.gz AMFFWZMGKRLOHD-GOSISDBHSA-N 1 1 455.427 3.099 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)O)CC1 ZINC001304977070 1068015983 /nfs/dbraw/zinc/01/59/83/1068015983.db2.gz PPEUYNMAFWRKHN-KDURUIRLSA-N 1 1 461.054 3.364 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001303491012 1068016189 /nfs/dbraw/zinc/01/61/89/1068016189.db2.gz XPDMTODWVGIGON-OAQYLSRUSA-N 1 1 457.541 3.359 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccccc2F)CC1 ZINC001304977343 1068016412 /nfs/dbraw/zinc/01/64/12/1068016412.db2.gz RPDROAOBOUYYAI-OYRHEFFESA-N 1 1 499.679 3.140 20 0 JGADMO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC001304977680 1068016826 /nfs/dbraw/zinc/01/68/26/1068016826.db2.gz TUAFEUHRDNCWGN-AABGKKOBSA-N 1 1 474.675 3.251 20 0 JGADMO O=C(CCC[S@](=O)c1ccc(Br)cc1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001303492950 1068018066 /nfs/dbraw/zinc/01/80/66/1068018066.db2.gz IGDAAGAYXLGOPU-HPORLSDASA-N 1 1 471.461 3.344 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(C)(C)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303493291 1068018676 /nfs/dbraw/zinc/01/86/76/1068018676.db2.gz GWXVBMWQQHTPPG-BWKNWUBXSA-N 1 1 463.667 3.446 20 0 JGADMO CC1CCC([NH+]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCSC(F)(F)F)CC2)CC1 ZINC001304981054 1068020847 /nfs/dbraw/zinc/02/08/47/1068020847.db2.gz XSEDJWLUFKCDAQ-AQFXKWCLSA-N 1 1 495.637 3.134 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001303495931 1068022022 /nfs/dbraw/zinc/02/20/22/1068022022.db2.gz SEPXPBMRIYVYBF-JYFHCDHNSA-N 1 1 477.694 3.428 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCCCCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)CCOC1 ZINC001303499599 1068026789 /nfs/dbraw/zinc/02/67/89/1068026789.db2.gz DYARTLMRKSXFMK-WIOPSUGQSA-N 1 1 463.667 3.326 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 ZINC001303500639 1068027891 /nfs/dbraw/zinc/02/78/91/1068027891.db2.gz JDTYVESNABJGOA-SANMLTNESA-N 1 1 490.693 3.078 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 ZINC001303500637 1068028076 /nfs/dbraw/zinc/02/80/76/1068028076.db2.gz JDTYVESNABJGOA-AREMUKBSSA-N 1 1 490.693 3.078 20 0 JGADMO C[C@@H]1CCC[C@@H](N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001304984899 1068028236 /nfs/dbraw/zinc/02/82/36/1068028236.db2.gz AJAJBZQZCCPLEA-VAMGGRTRSA-N 1 1 474.675 3.131 20 0 JGADMO C[C@@H]1CCC[C@@]1(O)Cn1c(CCc2ccccc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304995055 1068037331 /nfs/dbraw/zinc/03/73/31/1068037331.db2.gz LFLSETDGCUGFHZ-AJTFRIOCSA-N 1 1 469.674 3.409 20 0 JGADMO CC(C)O[C@]1(c2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303509512 1068043188 /nfs/dbraw/zinc/04/31/88/1068043188.db2.gz ILKZDJYXYPGWLK-FXAWDEMLSA-N 1 1 453.538 3.179 20 0 JGADMO CC(C)O[C@@]1(c2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303509513 1068043385 /nfs/dbraw/zinc/04/33/85/1068043385.db2.gz ILKZDJYXYPGWLK-PXNSSMCTSA-N 1 1 453.538 3.179 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303510299 1068045080 /nfs/dbraw/zinc/04/50/80/1068045080.db2.gz SJAVABRUEHSPRV-XARGGIHNSA-N 1 1 499.647 3.403 20 0 JGADMO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001305007514 1068049832 /nfs/dbraw/zinc/04/98/32/1068049832.db2.gz FABGQXVQDFHSGI-RTBURBONSA-N 1 1 474.675 3.305 20 0 JGADMO CC(C)Oc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC001303516574 1068050089 /nfs/dbraw/zinc/05/00/89/1068050089.db2.gz FDMIPGUMPWHNKT-UHFFFAOYSA-N 1 1 483.661 3.188 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(-c3ccccc3F)n2CCNS(C)(=O)=O)CC1 ZINC001305012851 1068053230 /nfs/dbraw/zinc/05/32/30/1068053230.db2.gz BLWKYNBOGBQHAS-IBGZPJMESA-N 1 1 492.665 3.114 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001305013348 1068054081 /nfs/dbraw/zinc/05/40/81/1068054081.db2.gz GYMPYDBRPMSNII-UNMCSNQZSA-N 1 1 495.734 3.476 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001303524316 1068054745 /nfs/dbraw/zinc/05/47/45/1068054745.db2.gz BVOLSMTVYIKWQF-NVQXNPDNSA-N 1 1 493.693 3.213 20 0 JGADMO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305014971 1068056060 /nfs/dbraw/zinc/05/60/60/1068056060.db2.gz IUAULBZCHRVGIW-SBHAEUEKSA-N 1 1 475.659 3.348 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001305015306 1068057115 /nfs/dbraw/zinc/05/71/15/1068057115.db2.gz VQOZWRNATYSJJE-LJQANCHMSA-N 1 1 470.666 3.210 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(C2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001305015278 1068057563 /nfs/dbraw/zinc/05/75/63/1068057563.db2.gz CKRKQBSDNIYVCQ-HXUWFJFHSA-N 1 1 480.723 3.356 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305015504 1068057796 /nfs/dbraw/zinc/05/77/96/1068057796.db2.gz JUTIEVKBJAKRGW-MSOLQXFVSA-N 1 1 466.051 3.486 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305015509 1068058312 /nfs/dbraw/zinc/05/83/12/1068058312.db2.gz JUTIEVKBJAKRGW-ZWKOTPCHSA-N 1 1 466.051 3.486 20 0 JGADMO CC(C)OC1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001303530222 1068058506 /nfs/dbraw/zinc/05/85/06/1068058506.db2.gz PNCUBEPOOJBMIK-OAQYLSRUSA-N 1 1 460.667 3.449 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305015985 1068059334 /nfs/dbraw/zinc/05/93/34/1068059334.db2.gz KNLFDSMCNHCJNC-SFTDATJTSA-N 1 1 460.667 3.131 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)CC1 ZINC001305015907 1068059538 /nfs/dbraw/zinc/05/95/38/1068059538.db2.gz YCUQQOCQGDFSGK-FQEVSTJZSA-N 1 1 476.691 3.199 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305016653 1068059867 /nfs/dbraw/zinc/05/98/67/1068059867.db2.gz IHYZSOMUHGASAC-GGAORHGYSA-N 1 1 473.687 3.341 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F ZINC001305016571 1068060177 /nfs/dbraw/zinc/06/01/77/1068060177.db2.gz MSKOMQCKOXBPGE-AZUAARDMSA-N 1 1 463.623 3.220 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001305017168 1068060709 /nfs/dbraw/zinc/06/07/09/1068060709.db2.gz DBQLLPKCIQJIPD-ZWKOTPCHSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC001305017850 1068061848 /nfs/dbraw/zinc/06/18/48/1068061848.db2.gz GMONPDNQNKKJIU-UYAOXDASSA-N 1 1 459.683 3.418 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001303532313 1068062035 /nfs/dbraw/zinc/06/20/35/1068062035.db2.gz YSKMKNITVXAGEI-OAQYLSRUSA-N 1 1 478.037 3.340 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001305018201 1068062334 /nfs/dbraw/zinc/06/23/34/1068062334.db2.gz HKVFCQRMZYDLAC-RTWAWAEBSA-N 1 1 489.709 3.313 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001305018541 1068063414 /nfs/dbraw/zinc/06/34/14/1068063414.db2.gz OCBHBEHCROJZCT-FCGDIQPGSA-N 1 1 491.624 3.469 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001305018575 1068063742 /nfs/dbraw/zinc/06/37/42/1068063742.db2.gz HYJRJPWKXBLNCU-GBESFXJTSA-N 1 1 460.648 3.148 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001305018656 1068063911 /nfs/dbraw/zinc/06/39/11/1068063911.db2.gz UJIRUFMHQMQFBA-UNMCSNQZSA-N 1 1 499.660 3.335 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001305018711 1068064240 /nfs/dbraw/zinc/06/42/40/1068064240.db2.gz IXJGFQRZZUMITQ-VXKWHMMOSA-N 1 1 476.710 3.087 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001305018710 1068064533 /nfs/dbraw/zinc/06/45/33/1068064533.db2.gz IXJGFQRZZUMITQ-FGZHOGPDSA-N 1 1 476.710 3.087 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001303535910 1068064605 /nfs/dbraw/zinc/06/46/05/1068064605.db2.gz XNNMYUDBIBAVED-NHCUHLMSSA-N 1 1 457.623 3.020 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001303535912 1068064711 /nfs/dbraw/zinc/06/47/11/1068064711.db2.gz XNNMYUDBIBAVED-SFTDATJTSA-N 1 1 457.623 3.020 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(N3CCN(C(=O)c4ccccn4)CC3)nnc2C(C)(C)C)C1 ZINC001305019508 1068065545 /nfs/dbraw/zinc/06/55/45/1068065545.db2.gz MVPMWVQZGFBUSS-HXUWFJFHSA-N 1 1 467.662 3.444 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305019593 1068066412 /nfs/dbraw/zinc/06/64/12/1068066412.db2.gz LFSCUAMFZPEIPH-GGAORHGYSA-N 1 1 489.686 3.178 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305019926 1068067081 /nfs/dbraw/zinc/06/70/81/1068067081.db2.gz OMZKTYRFWSSIBP-SQJMNOBHSA-N 1 1 473.666 3.162 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001305020033 1068067333 /nfs/dbraw/zinc/06/73/33/1068067333.db2.gz SMFFPCQELSFZDX-SFHVURJKSA-N 1 1 466.556 3.074 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305020320 1068068199 /nfs/dbraw/zinc/06/81/99/1068068199.db2.gz UYGFKUOQQJQLIQ-UYAOXDASSA-N 1 1 465.689 3.208 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305020787 1068069155 /nfs/dbraw/zinc/06/91/55/1068069155.db2.gz VKAQOIFRUVDUDQ-FPOVZHCZSA-N 1 1 456.610 3.364 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCCO)CC1 ZINC001305020880 1068069468 /nfs/dbraw/zinc/06/94/68/1068069468.db2.gz WGHHJPQRDGFEKO-HXUWFJFHSA-N 1 1 469.634 3.179 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001305020655 1068069690 /nfs/dbraw/zinc/06/96/90/1068069690.db2.gz CYLGJPKBSWRFKC-NVXWUHKLSA-N 1 1 454.541 3.439 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001305021142 1068069911 /nfs/dbraw/zinc/06/99/11/1068069911.db2.gz WSHPNNGNUNFSES-TZIWHRDSSA-N 1 1 475.659 3.228 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(C)(=O)=O)c1 ZINC001305021546 1068070602 /nfs/dbraw/zinc/07/06/02/1068070602.db2.gz TUAPRTGQPQQKRS-QGZVFWFLSA-N 1 1 457.604 3.090 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001305021684 1068071707 /nfs/dbraw/zinc/07/17/07/1068071707.db2.gz WPDLFKDCXKMPFR-VQTJNVASSA-N 1 1 476.666 3.350 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305021979 1068072739 /nfs/dbraw/zinc/07/27/39/1068072739.db2.gz IZGBHOXQXLNARU-ZWKOTPCHSA-N 1 1 480.654 3.174 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305022134 1068072948 /nfs/dbraw/zinc/07/29/48/1068072948.db2.gz JTDOAHNSCORYMB-ICSRJNTNSA-N 1 1 470.666 3.174 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001305022826 1068073779 /nfs/dbraw/zinc/07/37/79/1068073779.db2.gz ODYKYSQCDZHEGV-GOSISDBHSA-N 1 1 457.623 3.081 20 0 JGADMO CC(C)OCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303548154 1068074828 /nfs/dbraw/zinc/07/48/28/1068074828.db2.gz FAOJKKFWGJNPHC-OAQYLSRUSA-N 1 1 475.037 3.156 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022894 1068074938 /nfs/dbraw/zinc/07/49/38/1068074938.db2.gz DPNBEGKKSJABBW-IAGOWNOFSA-N 1 1 494.482 3.365 20 0 JGADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001305023128 1068075349 /nfs/dbraw/zinc/07/53/49/1068075349.db2.gz ASHFHEURGNWJNV-ROUUACIJSA-N 1 1 483.629 3.138 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001305023353 1068075854 /nfs/dbraw/zinc/07/58/54/1068075854.db2.gz RLKXUSBNOGDGIF-MSOLQXFVSA-N 1 1 457.648 3.378 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023421 1068076616 /nfs/dbraw/zinc/07/66/16/1068076616.db2.gz HMCJUPQTZCKABN-WCIQWLHISA-N 1 1 472.609 3.379 20 0 JGADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023439 1068076642 /nfs/dbraw/zinc/07/66/42/1068076642.db2.gz HNZIYJHRNDQDBW-YSTOQKLRSA-N 1 1 474.675 3.132 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023744 1068076993 /nfs/dbraw/zinc/07/69/93/1068076993.db2.gz IWOVXKXSUFJGPL-WOJBJXKFSA-N 1 1 454.619 3.190 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023972 1068077143 /nfs/dbraw/zinc/07/71/43/1068077143.db2.gz JKISXKVZTINDNT-HLIPFELVSA-N 1 1 466.051 3.342 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305024240 1068077937 /nfs/dbraw/zinc/07/79/37/1068077937.db2.gz XEEBFCKTVPBCET-HXUWFJFHSA-N 1 1 460.667 3.466 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024378 1068078223 /nfs/dbraw/zinc/07/82/23/1068078223.db2.gz LALNRHVKUJTQHN-QHAWAJNXSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305024558 1068078886 /nfs/dbraw/zinc/07/88/86/1068078886.db2.gz ZOVMFCLBIUUALT-FUHWJXTLSA-N 1 1 481.066 3.127 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC=CCC2)C1 ZINC001305024564 1068079012 /nfs/dbraw/zinc/07/90/12/1068079012.db2.gz ZRNRCHGZOFHJRG-HXUWFJFHSA-N 1 1 486.686 3.472 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305024560 1068079117 /nfs/dbraw/zinc/07/91/17/1068079117.db2.gz ZOVMFCLBIUUALT-WMZOPIPTSA-N 1 1 481.066 3.127 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305025089 1068079371 /nfs/dbraw/zinc/07/93/71/1068079371.db2.gz KGKUGBQNGUITID-NJYVYQBISA-N 1 1 460.667 3.034 20 0 JGADMO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025317 1068080343 /nfs/dbraw/zinc/08/03/43/1068080343.db2.gz MLGDFJNUIKUXLM-MOPGFXCFSA-N 1 1 456.610 3.220 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026364 1068082516 /nfs/dbraw/zinc/08/25/16/1068082516.db2.gz WLQQYNJIEZBEOQ-AQNXPRMDSA-N 1 1 491.681 3.030 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026630 1068082551 /nfs/dbraw/zinc/08/25/51/1068082551.db2.gz XAFDFBCVFGBTDG-QZTJIDSGSA-N 1 1 495.093 3.237 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026373 1068082620 /nfs/dbraw/zinc/08/26/20/1068082620.db2.gz WPDSAWCKUHETDH-HSALFYBXSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305027008 1068083673 /nfs/dbraw/zinc/08/36/73/1068083673.db2.gz YYORBEARICPQRP-QZTJIDSGSA-N 1 1 459.664 3.377 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC001305028323 1068084336 /nfs/dbraw/zinc/08/43/36/1068084336.db2.gz YNYVRCGVPPVAHI-HBFSDRIKSA-N 1 1 458.582 3.004 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305028296 1068084443 /nfs/dbraw/zinc/08/44/43/1068084443.db2.gz YCBHWTVMQLEUAT-VXKWHMMOSA-N 1 1 467.662 3.079 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC001305028325 1068084806 /nfs/dbraw/zinc/08/48/06/1068084806.db2.gz YNYVRCGVPPVAHI-WSTZPKSXSA-N 1 1 458.582 3.004 20 0 JGADMO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028405 1068085085 /nfs/dbraw/zinc/08/50/85/1068085085.db2.gz FZFQJRNGGSMFNL-NHCUHLMSSA-N 1 1 452.647 3.276 20 0 JGADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028735 1068086354 /nfs/dbraw/zinc/08/63/54/1068086354.db2.gz JMRYPNDTIJRNKU-AQNXPRMDSA-N 1 1 493.649 3.130 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305030304 1068088342 /nfs/dbraw/zinc/08/83/42/1068088342.db2.gz VNZQFCKAQJYQSR-NMOFPLQQSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001303566655 1068089107 /nfs/dbraw/zinc/08/91/07/1068089107.db2.gz GKLZKBWXMRSDGT-IBGZPJMESA-N 1 1 487.674 3.004 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CC(C)(C)C2)CC1 ZINC001303566959 1068089650 /nfs/dbraw/zinc/08/96/50/1068089650.db2.gz NFVPNWFHOXABSJ-RUZDIDTESA-N 1 1 463.667 3.302 20 0 JGADMO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C)CC1)C[NH+]1CCOCC1 ZINC001305032711 1068089705 /nfs/dbraw/zinc/08/97/05/1068089705.db2.gz GVJSPEQJBLOPOS-VQTJNVASSA-N 1 1 489.064 3.456 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)F)c2)CC1 ZINC001303567457 1068090663 /nfs/dbraw/zinc/09/06/63/1068090663.db2.gz XCPDHULMXIARMZ-UHFFFAOYSA-N 1 1 476.572 3.047 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCSC2)CC1 ZINC001303567478 1068090835 /nfs/dbraw/zinc/09/08/35/1068090835.db2.gz XRJLZTUARLRGSM-ZJSXRUAMSA-N 1 1 481.707 3.009 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001303570212 1068093454 /nfs/dbraw/zinc/09/34/54/1068093454.db2.gz BQWPCQPUKVECPP-UHFFFAOYSA-N 1 1 486.636 3.064 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCOC2)CC1 ZINC001303570237 1068093507 /nfs/dbraw/zinc/09/35/07/1068093507.db2.gz CLWJGFIPFXDFTF-IBGZPJMESA-N 1 1 463.573 3.121 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305040906 1068095230 /nfs/dbraw/zinc/09/52/30/1068095230.db2.gz AUVMYRBBTUXGKX-NRFANRHFSA-N 1 1 487.718 3.312 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001303571448 1068096212 /nfs/dbraw/zinc/09/62/12/1068096212.db2.gz KWCBMSHVXUSLLK-NHCUHLMSSA-N 1 1 475.609 3.326 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001303571191 1068096391 /nfs/dbraw/zinc/09/63/91/1068096391.db2.gz IJJWBYGGEGRNBG-UHFFFAOYSA-N 1 1 495.575 3.335 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(CO)c2)CC1 ZINC001303572149 1068096726 /nfs/dbraw/zinc/09/67/26/1068096726.db2.gz XDAJXMGOERFOKT-UHFFFAOYSA-N 1 1 455.628 3.018 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305041973 1068096872 /nfs/dbraw/zinc/09/68/72/1068096872.db2.gz GHVYUQATLJPTAQ-JOCHJYFZSA-N 1 1 467.662 3.081 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042007 1068097170 /nfs/dbraw/zinc/09/71/70/1068097170.db2.gz HCFAJAASTQLQBR-AOIWGVFYSA-N 1 1 466.677 3.023 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001303572112 1068097106 /nfs/dbraw/zinc/09/71/06/1068097106.db2.gz WNANCWACRDBFTM-NRFANRHFSA-N 1 1 463.573 3.035 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042019 1068097257 /nfs/dbraw/zinc/09/72/57/1068097257.db2.gz HEEKFOFFRRNASK-KCZVDYSFSA-N 1 1 454.619 3.115 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001305042414 1068097445 /nfs/dbraw/zinc/09/74/45/1068097445.db2.gz IUFNBBCWIFWOOI-RTBURBONSA-N 1 1 452.594 3.394 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305042348 1068097716 /nfs/dbraw/zinc/09/77/16/1068097716.db2.gz HQXSXFCBOJLSES-OAHLLOKOSA-N 1 1 452.525 3.202 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305043113 1068099282 /nfs/dbraw/zinc/09/92/82/1068099282.db2.gz OIQFVTAKERVQIC-PMACEKPBSA-N 1 1 474.675 3.004 20 0 JGADMO CC(C)SCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303573989 1068099695 /nfs/dbraw/zinc/09/96/95/1068099695.db2.gz JLXMHLPOPDGNOK-HXUWFJFHSA-N 1 1 483.480 3.478 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCOc2ccc(F)cc2)C1 ZINC001305043838 1068100382 /nfs/dbraw/zinc/10/03/82/1068100382.db2.gz TVTJLKYSPUDTJT-LJQANCHMSA-N 1 1 481.576 3.312 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001305044197 1068100796 /nfs/dbraw/zinc/10/07/96/1068100796.db2.gz XLFRKEFVJUZGJE-IBGZPJMESA-N 1 1 472.609 3.210 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC001305045365 1068103230 /nfs/dbraw/zinc/10/32/30/1068103230.db2.gz CZJKRFQKAZAKFD-FCHUYYIVSA-N 1 1 457.667 3.481 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cn3cccn3)C2)C1 ZINC001305045367 1068103242 /nfs/dbraw/zinc/10/32/42/1068103242.db2.gz CZJKRFQKAZAKFD-VXKWHMMOSA-N 1 1 457.667 3.481 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cn3cccn3)C2)C1 ZINC001305045368 1068103277 /nfs/dbraw/zinc/10/32/77/1068103277.db2.gz CZJKRFQKAZAKFD-YADHBBJMSA-N 1 1 457.667 3.481 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305045783 1068103353 /nfs/dbraw/zinc/10/33/53/1068103353.db2.gz FYIHDFOJTDSIPD-PZJWPPBQSA-N 1 1 469.634 3.099 20 0 JGADMO C[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305046251 1068103983 /nfs/dbraw/zinc/10/39/83/1068103983.db2.gz IOSGUPUFDZIBMT-AABGKKOBSA-N 1 1 462.639 3.165 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)C1 ZINC001305047070 1068105370 /nfs/dbraw/zinc/10/53/70/1068105370.db2.gz ATZDBIRUOVVSGE-KNQAVFIVSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001305048326 1068106987 /nfs/dbraw/zinc/10/69/87/1068106987.db2.gz MGYUQDULRKWSCY-SFHVURJKSA-N 1 1 474.600 3.361 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C(F)F)C2)C1 ZINC001305048667 1068107944 /nfs/dbraw/zinc/10/79/44/1068107944.db2.gz LANFMHBAQUYOCP-IRXDYDNUSA-N 1 1 466.602 3.483 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305049147 1068108500 /nfs/dbraw/zinc/10/85/00/1068108500.db2.gz OQWOEJADJIZFRN-DXIQSLLYSA-N 1 1 470.618 3.003 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305049628 1068109905 /nfs/dbraw/zinc/10/99/05/1068109905.db2.gz PUJGYBHPDOVSKF-RTBURBONSA-N 1 1 454.685 3.027 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001305050029 1068109955 /nfs/dbraw/zinc/10/99/55/1068109955.db2.gz QNDNAKSFSIWFTB-MOPGFXCFSA-N 1 1 495.640 3.283 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305049524 1068110019 /nfs/dbraw/zinc/11/00/19/1068110019.db2.gz PDELMBZWLGUKJW-PZJWPPBQSA-N 1 1 486.665 3.294 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3ccccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305050037 1068111295 /nfs/dbraw/zinc/11/12/95/1068111295.db2.gz QPJPXASZOURXSR-RBUKOAKNSA-N 1 1 493.578 3.357 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305049990 1068111327 /nfs/dbraw/zinc/11/13/27/1068111327.db2.gz LAIFPHZGUBJFCS-IEBWSBKVSA-N 1 1 481.066 3.129 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(C)C(=O)C2)C1 ZINC001305050392 1068111730 /nfs/dbraw/zinc/11/17/30/1068111730.db2.gz MOODTRFYNBATNB-OAHLLOKOSA-N 1 1 451.402 3.262 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(C)C(=O)C2)C1 ZINC001305050391 1068111833 /nfs/dbraw/zinc/11/18/33/1068111833.db2.gz MOODTRFYNBATNB-HNNXBMFYSA-N 1 1 451.402 3.262 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001305050320 1068111974 /nfs/dbraw/zinc/11/19/74/1068111974.db2.gz WKNKPKVAITYDQZ-HKBOAZHASA-N 1 1 476.666 3.350 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CCOc3ccccc3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001305050465 1068112537 /nfs/dbraw/zinc/11/25/37/1068112537.db2.gz VHDKRWMLZOTKML-OAQYLSRUSA-N 1 1 471.646 3.467 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(Br)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001305050763 1068112575 /nfs/dbraw/zinc/11/25/75/1068112575.db2.gz NBDWWGHXFJKTIB-SJORKVTESA-N 1 1 475.435 3.106 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(C3CC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305050533 1068112867 /nfs/dbraw/zinc/11/28/67/1068112867.db2.gz SWILOKISEMYCMG-WMZOPIPTSA-N 1 1 456.557 3.172 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305050573 1068112911 /nfs/dbraw/zinc/11/29/11/1068112911.db2.gz VWMWMQBDCUVNDI-NBGIEHNGSA-N 1 1 463.667 3.444 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305051263 1068114163 /nfs/dbraw/zinc/11/41/63/1068114163.db2.gz YLESJHIPCZYXFE-ISHFTEKXSA-N 1 1 451.681 3.381 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001305051230 1068114299 /nfs/dbraw/zinc/11/42/99/1068114299.db2.gz ZTECELXFSYRLNY-KGMZSHBCSA-N 1 1 466.655 3.370 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001305051616 1068115038 /nfs/dbraw/zinc/11/50/38/1068115038.db2.gz XDAHAIMNOIXDJI-TZIWHRDSSA-N 1 1 477.650 3.468 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001305051961 1068115717 /nfs/dbraw/zinc/11/57/17/1068115717.db2.gz YDABJDFARAZWMH-SFHVURJKSA-N 1 1 497.612 3.293 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001305057373 1068119901 /nfs/dbraw/zinc/11/99/01/1068119901.db2.gz BOBWGPAWGDFILI-HRAATJIYSA-N 1 1 452.525 3.354 20 0 JGADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001303596402 1068120152 /nfs/dbraw/zinc/12/01/52/1068120152.db2.gz ONAHSFWNWIVDKK-GOSISDBHSA-N 1 1 485.658 3.154 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCn1cccn1 ZINC001305058697 1068121502 /nfs/dbraw/zinc/12/15/02/1068121502.db2.gz JGQHREBUYUHKPS-RTWAWAEBSA-N 1 1 486.665 3.210 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCn1cccn1 ZINC001305058698 1068121572 /nfs/dbraw/zinc/12/15/72/1068121572.db2.gz JGQHREBUYUHKPS-SFTDATJTSA-N 1 1 486.665 3.210 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCn1cccn1 ZINC001305058696 1068121587 /nfs/dbraw/zinc/12/15/87/1068121587.db2.gz JGQHREBUYUHKPS-NHCUHLMSSA-N 1 1 486.665 3.210 20 0 JGADMO C[C@@H]1CCCN1c1nnc(CCCc2ccccc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305059450 1068122790 /nfs/dbraw/zinc/12/27/90/1068122790.db2.gz PBIWRPGFXVUNQZ-GGAORHGYSA-N 1 1 452.647 3.385 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001305059325 1068122846 /nfs/dbraw/zinc/12/28/46/1068122846.db2.gz LBIOEZXTOMLYFN-HUUCEWRRSA-N 1 1 481.464 3.345 20 0 JGADMO C[C@@H]1CCCN1c1nnc(CCCc2ccccc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305059449 1068122961 /nfs/dbraw/zinc/12/29/61/1068122961.db2.gz PBIWRPGFXVUNQZ-FYYLOGMGSA-N 1 1 452.647 3.385 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001305059323 1068122983 /nfs/dbraw/zinc/12/29/83/1068122983.db2.gz LBIOEZXTOMLYFN-CABCVRRESA-N 1 1 481.464 3.345 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305059743 1068123936 /nfs/dbraw/zinc/12/39/36/1068123936.db2.gz OCFBGZGCQBCYJN-MOPGFXCFSA-N 1 1 455.607 3.270 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305059963 1068124562 /nfs/dbraw/zinc/12/45/62/1068124562.db2.gz SDTXPWKPQHZAKT-IBGZPJMESA-N 1 1 471.625 3.122 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001305060967 1068125666 /nfs/dbraw/zinc/12/56/66/1068125666.db2.gz FKGMTXKBUBOWPK-JOCHJYFZSA-N 1 1 460.667 3.335 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001305061352 1068126338 /nfs/dbraw/zinc/12/63/38/1068126338.db2.gz YTMGGZWMNCWHNM-GTJUCTONSA-N 1 1 452.628 3.122 20 0 JGADMO C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCC[C@H]1C ZINC001305061188 1068126369 /nfs/dbraw/zinc/12/63/69/1068126369.db2.gz TXSVPBAAOKPLEI-RTBURBONSA-N 1 1 486.642 3.470 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC(C)(C)C1 ZINC001305061590 1068126399 /nfs/dbraw/zinc/12/63/99/1068126399.db2.gz ULARZHKCVOSNRB-IBGZPJMESA-N 1 1 474.675 3.306 20 0 JGADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+](C)C1CCCC1 ZINC001303599576 1068126615 /nfs/dbraw/zinc/12/66/15/1068126615.db2.gz CLRFRUAVKYEODF-AVRDEDQJSA-N 1 1 490.674 3.239 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305061639 1068127202 /nfs/dbraw/zinc/12/72/02/1068127202.db2.gz VCZLGSSCVNPZIW-MOPGFXCFSA-N 1 1 455.607 3.270 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@H]1C ZINC001305062090 1068128799 /nfs/dbraw/zinc/12/87/99/1068128799.db2.gz WYVQXJDFFOTLCM-KGLIPLIRSA-N 1 1 490.493 3.123 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305063679 1068133441 /nfs/dbraw/zinc/13/34/41/1068133441.db2.gz YMNLIIFDVYZFAO-KNQAVFIVSA-N 1 1 489.686 3.262 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303603885 1068136561 /nfs/dbraw/zinc/13/65/61/1068136561.db2.gz UNXAWNGHTZIYRW-ZUQCGGBESA-N 1 1 458.676 3.116 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303603885 1068136566 /nfs/dbraw/zinc/13/65/66/1068136566.db2.gz UNXAWNGHTZIYRW-ZUQCGGBESA-N 1 1 458.676 3.116 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303603885 1068136575 /nfs/dbraw/zinc/13/65/75/1068136575.db2.gz UNXAWNGHTZIYRW-ZUQCGGBESA-N 1 1 458.676 3.116 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303604183 1068136591 /nfs/dbraw/zinc/13/65/91/1068136591.db2.gz VDOHJPBPEAXXNQ-UPTQXZAWSA-N 1 1 459.660 3.276 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303604183 1068136596 /nfs/dbraw/zinc/13/65/96/1068136596.db2.gz VDOHJPBPEAXXNQ-UPTQXZAWSA-N 1 1 459.660 3.276 20 0 JGADMO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1(C)C ZINC001305070085 1068143910 /nfs/dbraw/zinc/14/39/10/1068143910.db2.gz BGPOGLGLJPMYKE-IBGZPJMESA-N 1 1 489.064 3.456 20 0 JGADMO C[C@@H](c1ccccc1)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303610625 1068145145 /nfs/dbraw/zinc/14/51/45/1068145145.db2.gz OEMMATUOWQATDC-FQEVSTJZSA-N 1 1 476.629 3.149 20 0 JGADMO C[C@H](c1ccccc1)N(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303611286 1068145705 /nfs/dbraw/zinc/14/57/05/1068145705.db2.gz RONKATVMHMPJIG-HXUWFJFHSA-N 1 1 450.635 3.150 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)[C@H]1C ZINC001305072901 1068146873 /nfs/dbraw/zinc/14/68/73/1068146873.db2.gz VSOTZTUVKIDVRG-CKNLXJGOSA-N 1 1 452.372 3.148 20 0 JGADMO C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303613253 1068147519 /nfs/dbraw/zinc/14/75/19/1068147519.db2.gz KOLSLBAANPUSRN-BVYCBKJFSA-N 1 1 472.609 3.409 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001305075065 1068149175 /nfs/dbraw/zinc/14/91/75/1068149175.db2.gz ARPGWNLKMLXGDU-RBUKOAKNSA-N 1 1 462.664 3.018 20 0 JGADMO C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303620909 1068153024 /nfs/dbraw/zinc/15/30/24/1068153024.db2.gz KQERSNDABVPUOB-FPOVZHCZSA-N 1 1 471.627 3.493 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001305084020 1068155992 /nfs/dbraw/zinc/15/59/92/1068155992.db2.gz UAZGKMMVCCJEQS-RBUKOAKNSA-N 1 1 461.680 3.451 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCCCCS(C)(=O)=O)CC1 ZINC001303630659 1068162106 /nfs/dbraw/zinc/16/21/06/1068162106.db2.gz SMBXTFZRCDMYGW-IBGZPJMESA-N 1 1 490.699 3.443 20 0 JGADMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1[nH]ncc1I ZINC001305107198 1068175723 /nfs/dbraw/zinc/17/57/23/1068175723.db2.gz IXSAEJWEFYQSNG-OWCLPIDISA-N 1 1 450.324 3.045 20 0 JGADMO CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001305108382 1068177327 /nfs/dbraw/zinc/17/73/27/1068177327.db2.gz RTLPLKKGOUHQAK-JOCHJYFZSA-N 1 1 489.686 3.336 20 0 JGADMO C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001305108576 1068178047 /nfs/dbraw/zinc/17/80/47/1068178047.db2.gz UJUVGHSPIQPNJW-ROUUACIJSA-N 1 1 451.662 3.171 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001303654180 1068185014 /nfs/dbraw/zinc/18/50/14/1068185014.db2.gz UBEYJCDUILYSKN-GHTZIAJQSA-N 1 1 472.609 3.493 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305112384 1068186796 /nfs/dbraw/zinc/18/67/96/1068186796.db2.gz LGDUVXZCRUXVLD-OYRHEFFESA-N 1 1 488.652 3.414 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N(C)[C@H]2CCOC2)C[C@H](C)O1 ZINC001305112551 1068187366 /nfs/dbraw/zinc/18/73/66/1068187366.db2.gz MIBGPEUSERWZES-OTWHNJEPSA-N 1 1 461.582 3.109 20 0 JGADMO Cc1c(C(=O)Nc2ccc(C[N@@H+](C)CCOc3ccccc3)cc2)cnn1-c1ccc(=O)[nH]n1 ZINC001303655765 1068187828 /nfs/dbraw/zinc/18/78/28/1068187828.db2.gz KSIXWMRSUIPMJY-UHFFFAOYSA-N 1 1 458.522 3.439 20 0 JGADMO C[C@H](Cc1cccs1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001303656312 1068188234 /nfs/dbraw/zinc/18/82/34/1068188234.db2.gz HYUYURDVAKEYPG-LJQANCHMSA-N 1 1 497.669 3.413 20 0 JGADMO C[C@H](Cc1cccs1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001303656312 1068188239 /nfs/dbraw/zinc/18/82/39/1068188239.db2.gz HYUYURDVAKEYPG-LJQANCHMSA-N 1 1 497.669 3.413 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@H](C)O1 ZINC001305114256 1068191333 /nfs/dbraw/zinc/19/13/33/1068191333.db2.gz RAMRJLGBUUTGCG-CALCHBBNSA-N 1 1 473.025 3.251 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305114075 1068191349 /nfs/dbraw/zinc/19/13/49/1068191349.db2.gz XHYIFGXXFZCQFC-IXDOHACOSA-N 1 1 459.557 3.449 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccc2F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305114445 1068191645 /nfs/dbraw/zinc/19/16/45/1068191645.db2.gz YAMJAZXEJQBGKB-BGYRXZFFSA-N 1 1 488.652 3.104 20 0 JGADMO C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303662683 1068193418 /nfs/dbraw/zinc/19/34/18/1068193418.db2.gz HWTNRNBDDLUAQD-FQEVSTJZSA-N 1 1 454.619 3.040 20 0 JGADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccsc2)C[C@H](C)O1 ZINC001305115371 1068193991 /nfs/dbraw/zinc/19/39/91/1068193991.db2.gz XNXBNTLSBUQSFB-HDICACEKSA-N 1 1 460.648 3.100 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccsc2)C[C@H](C)O1 ZINC001305115371 1068193994 /nfs/dbraw/zinc/19/39/94/1068193994.db2.gz XNXBNTLSBUQSFB-HDICACEKSA-N 1 1 460.648 3.100 20 0 JGADMO C[C@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2)C[C@H](C)O1 ZINC001305115407 1068194123 /nfs/dbraw/zinc/19/41/23/1068194123.db2.gz YDZVZMUYSMJDLL-PMACEKPBSA-N 1 1 454.619 3.038 20 0 JGADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303663216 1068194420 /nfs/dbraw/zinc/19/44/20/1068194420.db2.gz LWUZBQQFGMFYJO-TZIWHRDSSA-N 1 1 457.619 3.056 20 0 JGADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305116853 1068196221 /nfs/dbraw/zinc/19/62/21/1068196221.db2.gz ISHSHONDGIAPPL-VQIMIIECSA-N 1 1 489.462 3.495 20 0 JGADMO C[C@@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303664450 1068197232 /nfs/dbraw/zinc/19/72/32/1068197232.db2.gz KTRRALBJVRHZCW-UNMCSNQZSA-N 1 1 482.654 3.264 20 0 JGADMO C[C@@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303666024 1068199366 /nfs/dbraw/zinc/19/93/66/1068199366.db2.gz WELSZPYATWIAIM-RBBKRZOGSA-N 1 1 497.669 3.049 20 0 JGADMO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)[N@@H+](C)Cc1ccccc1 ZINC001303667509 1068202454 /nfs/dbraw/zinc/20/24/54/1068202454.db2.gz HSCDYRSWBPPSPS-HXUWFJFHSA-N 1 1 477.657 3.434 20 0 JGADMO C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001303669909 1068204514 /nfs/dbraw/zinc/20/45/14/1068204514.db2.gz WKSWSRXJFXXIBF-MJGOQNOKSA-N 1 1 487.592 3.479 20 0 JGADMO C[C@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC001303672886 1068209081 /nfs/dbraw/zinc/20/90/81/1068209081.db2.gz FQIQMYKNWSZOEP-VFNWGFHPSA-N 1 1 491.459 3.471 20 0 JGADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001303674539 1068212441 /nfs/dbraw/zinc/21/24/41/1068212441.db2.gz NANBSAZJJYSMTD-DFBJGRDBSA-N 1 1 478.682 3.380 20 0 JGADMO COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303678570 1068216779 /nfs/dbraw/zinc/21/67/79/1068216779.db2.gz QUCLEPRLQHMCGF-JSXRDJHFSA-N 1 1 463.619 3.041 20 0 JGADMO C[C@@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC001303681432 1068217201 /nfs/dbraw/zinc/21/72/01/1068217201.db2.gz AQNPLFPWODBCJG-KSFYIVLOSA-N 1 1 477.034 3.274 20 0 JGADMO C[C@@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC001303681431 1068217322 /nfs/dbraw/zinc/21/73/22/1068217322.db2.gz AQNPLFPWODBCJG-AOMKIAJQSA-N 1 1 477.034 3.274 20 0 JGADMO C[C@@H](CN(C)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCOCC1)c1nccs1 ZINC001303682175 1068218500 /nfs/dbraw/zinc/21/85/00/1068218500.db2.gz CAIQGPMYPCYXAI-SFHVURJKSA-N 1 1 458.607 3.427 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001303682753 1068219518 /nfs/dbraw/zinc/21/95/18/1068219518.db2.gz FYMAEOMJEKYKDC-HSALFYBXSA-N 1 1 462.664 3.225 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)cc(F)c1)[N@@H+](C)C1CC1 ZINC001303684126 1068222043 /nfs/dbraw/zinc/22/20/43/1068222043.db2.gz ITUWUBFZAPUVDA-OAHLLOKOSA-N 1 1 455.513 3.323 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Sc1ccccc1 ZINC001303687193 1068225167 /nfs/dbraw/zinc/22/51/67/1068225167.db2.gz VMCNNZHMEGAUMO-HBMCJLEFSA-N 1 1 486.686 3.240 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Sc1ccccc1 ZINC001303687193 1068225172 /nfs/dbraw/zinc/22/51/72/1068225172.db2.gz VMCNNZHMEGAUMO-HBMCJLEFSA-N 1 1 486.686 3.240 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001303687378 1068225182 /nfs/dbraw/zinc/22/51/82/1068225182.db2.gz JZGOYPRXZWATKY-QZTJIDSGSA-N 1 1 480.654 3.142 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC001303691166 1068230848 /nfs/dbraw/zinc/23/08/48/1068230848.db2.gz BLDPBAUWSUYEJX-JKSUJKDBSA-N 1 1 488.434 3.256 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC001305141203 1068235754 /nfs/dbraw/zinc/23/57/54/1068235754.db2.gz FJTBXBGBXRFFEK-QGZVFWFLSA-N 1 1 478.435 3.434 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCOCCCO)CC[N@H+](C2CCC2)C1 ZINC001305141349 1068236221 /nfs/dbraw/zinc/23/62/21/1068236221.db2.gz APENUDWHLLLINK-INIZCTEOSA-N 1 1 498.491 3.479 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001303694686 1068237724 /nfs/dbraw/zinc/23/77/24/1068237724.db2.gz PWKGBYBYIICFOA-INIZCTEOSA-N 1 1 472.943 3.004 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303695733 1068238972 /nfs/dbraw/zinc/23/89/72/1068238972.db2.gz JODHAMGCYXGRKX-STQMWFEESA-N 1 1 481.826 3.155 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001303698302 1068241476 /nfs/dbraw/zinc/24/14/76/1068241476.db2.gz CWPIITKSBSIEBH-CVEARBPZSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001303699872 1068242416 /nfs/dbraw/zinc/24/24/16/1068242416.db2.gz MHHDWJMSUCRIEG-ZACQAIPSSA-N 1 1 464.408 3.042 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001305143746 1068242918 /nfs/dbraw/zinc/24/29/18/1068242918.db2.gz LZFZWERLXPSXAR-PMACEKPBSA-N 1 1 475.659 3.228 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C)S1 ZINC001305143662 1068242971 /nfs/dbraw/zinc/24/29/71/1068242971.db2.gz VJFDOVVXFDYZBN-STXHMFSFSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303700063 1068243398 /nfs/dbraw/zinc/24/33/98/1068243398.db2.gz NIIWFYMVYJGOFU-IEBWSBKVSA-N 1 1 453.509 3.214 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001303700698 1068243771 /nfs/dbraw/zinc/24/37/71/1068243771.db2.gz RYLZRRRLYZCEOP-HNNXBMFYSA-N 1 1 473.927 3.213 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)N1CCOCC1 ZINC001303700906 1068244614 /nfs/dbraw/zinc/24/46/14/1068244614.db2.gz UNLHRWKEOIURNH-HXUWFJFHSA-N 1 1 491.080 3.114 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[N@@H+](C)C1CC1 ZINC001303701513 1068245835 /nfs/dbraw/zinc/24/58/35/1068245835.db2.gz QZFJNWCWRBVRSW-HNNXBMFYSA-N 1 1 457.529 3.119 20 0 JGADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303702884 1068246932 /nfs/dbraw/zinc/24/69/32/1068246932.db2.gz GKURIAQUGRMBFB-PXNSSMCTSA-N 1 1 455.607 3.268 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001303703072 1068246982 /nfs/dbraw/zinc/24/69/82/1068246982.db2.gz KAPNLDYNXQLJNW-GUDVDZBRSA-N 1 1 457.623 3.212 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCOCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305147125 1068248772 /nfs/dbraw/zinc/24/87/72/1068248772.db2.gz GASFTZCAJRATRK-QFBILLFUSA-N 1 1 469.964 3.427 20 0 JGADMO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC001303703873 1068248920 /nfs/dbraw/zinc/24/89/20/1068248920.db2.gz DAYIUPIWPBJRTG-GBESFXJTSA-N 1 1 475.638 3.074 20 0 JGADMO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC001303703873 1068248932 /nfs/dbraw/zinc/24/89/32/1068248932.db2.gz DAYIUPIWPBJRTG-GBESFXJTSA-N 1 1 475.638 3.074 20 0 JGADMO CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001305147522 1068249940 /nfs/dbraw/zinc/24/99/40/1068249940.db2.gz HVIUDLMXSSGJTI-GOSISDBHSA-N 1 1 495.093 3.237 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC001303705461 1068250144 /nfs/dbraw/zinc/25/01/44/1068250144.db2.gz MVNQRGFWAAGWJJ-QRVBRYPASA-N 1 1 458.632 3.052 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305149311 1068253350 /nfs/dbraw/zinc/25/33/50/1068253350.db2.gz BFGPBUWSXFCJIS-HOTGVXAUSA-N 1 1 482.398 3.183 20 0 JGADMO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC001303709813 1068256288 /nfs/dbraw/zinc/25/62/88/1068256288.db2.gz ZPFVLAVXBFIXBC-INIZCTEOSA-N 1 1 461.492 3.111 20 0 JGADMO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC001303709815 1068256319 /nfs/dbraw/zinc/25/63/19/1068256319.db2.gz ZPFVLAVXBFIXBC-MRXNPFEDSA-N 1 1 461.492 3.111 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001303712022 1068257472 /nfs/dbraw/zinc/25/74/72/1068257472.db2.gz HPCABDZSQAXHDL-PXNSSMCTSA-N 1 1 461.010 3.271 20 0 JGADMO C[C@H](Cn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303712985 1068258422 /nfs/dbraw/zinc/25/84/22/1068258422.db2.gz NXWIAWVURFEKKX-KNQAVFIVSA-N 1 1 484.645 3.406 20 0 JGADMO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303714010 1068259497 /nfs/dbraw/zinc/25/94/97/1068259497.db2.gz SNMOOCKFNGOJCV-RBBKRZOGSA-N 1 1 488.702 3.174 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303715171 1068261591 /nfs/dbraw/zinc/26/15/91/1068261591.db2.gz AWBGHHAOTQYUMS-REWPJTCUSA-N 1 1 468.646 3.175 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001303715717 1068262464 /nfs/dbraw/zinc/26/24/64/1068262464.db2.gz DRJFZPAUJWKPRZ-YRPNKDGESA-N 1 1 478.037 3.448 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001303715717 1068262481 /nfs/dbraw/zinc/26/24/81/1068262481.db2.gz DRJFZPAUJWKPRZ-YRPNKDGESA-N 1 1 478.037 3.448 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCN1CC(F)(F)F ZINC001305156680 1068264700 /nfs/dbraw/zinc/26/47/00/1068264700.db2.gz XLQOXOXXHYUWRI-GOSISDBHSA-N 1 1 466.552 3.129 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)CCN1CC(F)(F)F ZINC001305156680 1068264708 /nfs/dbraw/zinc/26/47/08/1068264708.db2.gz XLQOXOXXHYUWRI-GOSISDBHSA-N 1 1 466.552 3.129 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303716934 1068265112 /nfs/dbraw/zinc/26/51/12/1068265112.db2.gz IDYIYFJTTFSRPP-WOZUAGRISA-N 1 1 475.609 3.324 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303716934 1068265116 /nfs/dbraw/zinc/26/51/16/1068265116.db2.gz IDYIYFJTTFSRPP-WOZUAGRISA-N 1 1 475.609 3.324 20 0 JGADMO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCSC1)[N@@H+](C)C1CC1 ZINC001303723212 1068273261 /nfs/dbraw/zinc/27/32/61/1068273261.db2.gz RRWNWUBYZLYRRY-QRQLOZEOSA-N 1 1 480.679 3.011 20 0 JGADMO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC001303726547 1068279396 /nfs/dbraw/zinc/27/93/96/1068279396.db2.gz FRVBQVGFYCRZNJ-UWJYYQICSA-N 1 1 480.078 3.409 20 0 JGADMO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC001303726544 1068279408 /nfs/dbraw/zinc/27/94/08/1068279408.db2.gz FRVBQVGFYCRZNJ-DYESRHJHSA-N 1 1 480.078 3.409 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001303728259 1068282772 /nfs/dbraw/zinc/28/27/72/1068282772.db2.gz KXUGUHQCXPJHQG-OAHLLOKOSA-N 1 1 450.509 3.094 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[N@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001305171541 1068283842 /nfs/dbraw/zinc/28/38/42/1068283842.db2.gz SEXUMERIFVOUNT-FPOVZHCZSA-N 1 1 476.666 3.228 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305173709 1068286172 /nfs/dbraw/zinc/28/61/72/1068286172.db2.gz FKFDFCRJCMATSZ-KZNAEPCWSA-N 1 1 459.557 3.450 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2nccs2)CC1 ZINC001303735405 1068292351 /nfs/dbraw/zinc/29/23/51/1068292351.db2.gz DRIGABGEQDTJFT-SFHVURJKSA-N 1 1 459.664 3.217 20 0 JGADMO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)C1CC1 ZINC001303737105 1068295185 /nfs/dbraw/zinc/29/51/85/1068295185.db2.gz NGRCRVYWUKZDKW-MAUKXSAKSA-N 1 1 484.091 3.330 20 0 JGADMO C[C@@H](Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001303739210 1068299364 /nfs/dbraw/zinc/29/93/64/1068299364.db2.gz PAXLIPXXRQXIBK-RBBKRZOGSA-N 1 1 488.702 3.100 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305184721 1068302495 /nfs/dbraw/zinc/30/24/95/1068302495.db2.gz QGNCQKIVQFKJIP-AABGKKOBSA-N 1 1 478.682 3.063 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)CC[N@H+](C2CCC2)C1 ZINC001305186848 1068305022 /nfs/dbraw/zinc/30/50/22/1068305022.db2.gz RXCOLLUWVXXGQZ-GOSISDBHSA-N 1 1 451.681 3.002 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190144 1068311449 /nfs/dbraw/zinc/31/14/49/1068311449.db2.gz DWISRZFSVJUGFX-YLJYHZDGSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190144 1068311466 /nfs/dbraw/zinc/31/14/66/1068311466.db2.gz DWISRZFSVJUGFX-YLJYHZDGSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190144 1068311484 /nfs/dbraw/zinc/31/14/84/1068311484.db2.gz DWISRZFSVJUGFX-YLJYHZDGSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305190335 1068311925 /nfs/dbraw/zinc/31/19/25/1068311925.db2.gz RCAQXAIZWJSCPY-VQIMIIECSA-N 1 1 469.964 3.309 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303752429 1068313141 /nfs/dbraw/zinc/31/31/41/1068313141.db2.gz RNMCDVQJKQBWRE-LADGPHEKSA-N 1 1 454.663 3.379 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305191944 1068314512 /nfs/dbraw/zinc/31/45/12/1068314512.db2.gz VOIBSGKDEXFSKN-SIKLNZKXSA-N 1 1 459.610 3.249 20 0 JGADMO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1)C[NH+]1CCOCC1 ZINC001303753547 1068315678 /nfs/dbraw/zinc/31/56/78/1068315678.db2.gz BYOXCBOEGGUYJK-OCDPCBSRSA-N 1 1 493.027 3.014 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C(C)(C)C)CC1)CN1CCOCC1 ZINC001303753888 1068316472 /nfs/dbraw/zinc/31/64/72/1068316472.db2.gz FJWCXUGSIXYZAP-LJQANCHMSA-N 1 1 461.054 3.487 20 0 JGADMO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccon1)C[NH+]1CCOCC1 ZINC001303754572 1068317514 /nfs/dbraw/zinc/31/75/14/1068317514.db2.gz IZIVUARSVSTLTG-ROUUACIJSA-N 1 1 458.538 3.150 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305193771 1068318168 /nfs/dbraw/zinc/31/81/68/1068318168.db2.gz DFGPENYDGLOUEU-LJQANCHMSA-N 1 1 479.595 3.459 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001305195536 1068320615 /nfs/dbraw/zinc/32/06/15/1068320615.db2.gz GMNRRDKIAAKNLG-HXUWFJFHSA-N 1 1 483.661 3.441 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC001303759230 1068323606 /nfs/dbraw/zinc/32/36/06/1068323606.db2.gz PWMSBYBQDKSYSO-IRXDYDNUSA-N 1 1 454.040 3.492 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001305204430 1068329293 /nfs/dbraw/zinc/32/92/93/1068329293.db2.gz QZMAKCPPDBCFBC-JOCHJYFZSA-N 1 1 471.646 3.404 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305206112 1068331968 /nfs/dbraw/zinc/33/19/68/1068331968.db2.gz OCNWIRWRQRGFLF-FQEVSTJZSA-N 1 1 471.646 3.491 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCCC(C)(C)C2)CCCO1 ZINC001305206467 1068332727 /nfs/dbraw/zinc/33/27/27/1068332727.db2.gz AYRPCCALVSDVJX-GOSISDBHSA-N 1 1 460.648 3.007 20 0 JGADMO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1)C[NH+]1CCOCC1 ZINC001303764107 1068333091 /nfs/dbraw/zinc/33/30/91/1068333091.db2.gz RGYMWMZODLVKHU-GVWLHMPBSA-N 1 1 494.656 3.201 20 0 JGADMO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)C[NH+]1CCOCC1 ZINC001303764518 1068334515 /nfs/dbraw/zinc/33/45/15/1068334515.db2.gz SWCXUJSZTGCKHV-OALUTQOASA-N 1 1 478.037 3.483 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)C1)C[NH+]1CCOCC1 ZINC001303764603 1068334980 /nfs/dbraw/zinc/33/49/80/1068334980.db2.gz VDTRBYBFMSGCQN-UAFMIMERSA-N 1 1 451.681 3.107 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001305208147 1068336994 /nfs/dbraw/zinc/33/69/94/1068336994.db2.gz HWQGXDCAGNFLLB-HKUYNNGSSA-N 1 1 460.648 3.004 20 0 JGADMO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC001303765523 1068336825 /nfs/dbraw/zinc/33/68/25/1068336825.db2.gz ZCQHGHVIYVSRFA-GOSISDBHSA-N 1 1 494.562 3.024 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCCO1 ZINC001305208655 1068337867 /nfs/dbraw/zinc/33/78/67/1068337867.db2.gz JNVGPOLIIVXYAA-MJGOQNOKSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303766381 1068338083 /nfs/dbraw/zinc/33/80/83/1068338083.db2.gz RZLPRXBDUAYSOE-GOSISDBHSA-N 1 1 472.638 3.207 20 0 JGADMO C[C@H](CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305211990 1068342240 /nfs/dbraw/zinc/34/22/40/1068342240.db2.gz VUHSJXJVHPWVPQ-WOJBJXKFSA-N 1 1 482.654 3.405 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001305213267 1068345393 /nfs/dbraw/zinc/34/53/93/1068345393.db2.gz NKQLCCHSEVXCHX-REWPJTCUSA-N 1 1 491.080 3.398 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001305214242 1068347028 /nfs/dbraw/zinc/34/70/28/1068347028.db2.gz CGVNGTFZMSRFMK-OHUGHZGNSA-N 1 1 475.609 3.499 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC(C)(C)O1 ZINC001305214437 1068347714 /nfs/dbraw/zinc/34/77/14/1068347714.db2.gz FBZGOMMJINGOAI-LJQANCHMSA-N 1 1 474.625 3.026 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001305215253 1068349606 /nfs/dbraw/zinc/34/96/06/1068349606.db2.gz NCFLEXUBOIDSSN-BGYRXZFFSA-N 1 1 458.626 3.362 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001305215751 1068350836 /nfs/dbraw/zinc/35/08/36/1068350836.db2.gz GWNHHQDLLCYYAP-YDIMBITNSA-N 1 1 461.582 3.109 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305217100 1068352687 /nfs/dbraw/zinc/35/26/87/1068352687.db2.gz PHGGHHXYTBSWGY-DOIPELPJSA-N 1 1 465.708 3.495 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305217109 1068352887 /nfs/dbraw/zinc/35/28/87/1068352887.db2.gz PHGGHHXYTBSWGY-XRXFAXGQSA-N 1 1 465.708 3.495 20 0 JGADMO C[C@@H]1COCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305220022 1068357805 /nfs/dbraw/zinc/35/78/05/1068357805.db2.gz DSJJVZWQNYGFDN-RTBURBONSA-N 1 1 464.010 3.237 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N(C)C[C@H]3COc4ccccc4O3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305221285 1068360135 /nfs/dbraw/zinc/36/01/35/1068360135.db2.gz IQDXRAWBHCVXIV-ZCNNSNEGSA-N 1 1 457.619 3.351 20 0 JGADMO C[C@H]1COCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305221664 1068360849 /nfs/dbraw/zinc/36/08/49/1068360849.db2.gz IJEBXZCXJUPRII-PZJWPPBQSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N(C)C[C@H]2CCCOC2)CCCO1 ZINC001305221707 1068361430 /nfs/dbraw/zinc/36/14/30/1068361430.db2.gz LDTRNTRYULKFRH-LADGPHEKSA-N 1 1 455.647 3.427 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C ZINC001305222066 1068362095 /nfs/dbraw/zinc/36/20/95/1068362095.db2.gz JOFXMUISNOINFT-AQNXPRMDSA-N 1 1 462.639 3.150 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccccc3F)nnc2N2CCSC[C@@H]2C)C[C@H](C)O1 ZINC001305222106 1068362231 /nfs/dbraw/zinc/36/22/31/1068362231.db2.gz NARQFAXCNCHAGU-GBESFXJTSA-N 1 1 463.623 3.437 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N(C)Cc3nc4ccsc4c(=O)[nH]3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305222588 1068362798 /nfs/dbraw/zinc/36/27/98/1068362798.db2.gz PMPINRIXUUHCAR-IYBDPMFKSA-N 1 1 473.647 3.422 20 0 JGADMO C[C@H]1CSCCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305222552 1068362828 /nfs/dbraw/zinc/36/28/28/1068362828.db2.gz PHQVLQLMSSASLN-SFTDATJTSA-N 1 1 459.660 3.342 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)CCCO1 ZINC001305223146 1068364162 /nfs/dbraw/zinc/36/41/62/1068364162.db2.gz RQNDUAALJAZXLT-WOJBJXKFSA-N 1 1 461.582 3.112 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N3CCN(C(=O)c4cccc(F)c4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305223554 1068364841 /nfs/dbraw/zinc/36/48/41/1068364841.db2.gz TWHIKSPXULSQOT-BGYRXZFFSA-N 1 1 486.636 3.176 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(F)cc3)nnc2N(C)C[C@H]2CCCOC2)C[C@H](C)O1 ZINC001305223706 1068365647 /nfs/dbraw/zinc/36/56/47/1068365647.db2.gz VPPUBTWBXHJYCT-QHAWAJNXSA-N 1 1 475.609 3.358 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CCCCNC(=O)OC(C)(C)C ZINC001305225029 1068368404 /nfs/dbraw/zinc/36/84/04/1068368404.db2.gz SLGIJBIFKGYAFM-PZJWPPBQSA-N 1 1 469.634 3.242 20 0 JGADMO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305225620 1068369434 /nfs/dbraw/zinc/36/94/34/1068369434.db2.gz VPCJFVOXZIMCLP-HKBOAZHASA-N 1 1 484.645 3.486 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001303795478 1068383470 /nfs/dbraw/zinc/38/34/70/1068383470.db2.gz GFUULCTXKZYPPL-ICSRJNTNSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001303795478 1068383487 /nfs/dbraw/zinc/38/34/87/1068383487.db2.gz GFUULCTXKZYPPL-ICSRJNTNSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C(F)(F)F ZINC001305234633 1068383660 /nfs/dbraw/zinc/38/36/60/1068383660.db2.gz UOTVUVAZQWGRJP-IIAWOOMASA-N 1 1 458.916 3.349 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C(F)(F)F ZINC001305234633 1068383672 /nfs/dbraw/zinc/38/36/72/1068383672.db2.gz UOTVUVAZQWGRJP-IIAWOOMASA-N 1 1 458.916 3.349 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303795824 1068383775 /nfs/dbraw/zinc/38/37/75/1068383775.db2.gz GLVROBFTESVPBM-VNTMZGSJSA-N 1 1 476.666 3.394 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303795823 1068384086 /nfs/dbraw/zinc/38/40/86/1068384086.db2.gz GLVROBFTESVPBM-IYWMVGAKSA-N 1 1 476.666 3.394 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303797457 1068387729 /nfs/dbraw/zinc/38/77/29/1068387729.db2.gz MOTSXLVXAXSRKO-AJYBTWMASA-N 1 1 462.639 3.352 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303799090 1068391866 /nfs/dbraw/zinc/39/18/66/1068391866.db2.gz RXRZKJUHLRDEJE-SFTDATJTSA-N 1 1 481.645 3.265 20 0 JGADMO C[C@H]1N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCOC1(C)C ZINC001305243700 1068395930 /nfs/dbraw/zinc/39/59/30/1068395930.db2.gz OTVXNKOUCRILAK-MJGOQNOKSA-N 1 1 474.675 3.394 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001303801512 1068397449 /nfs/dbraw/zinc/39/74/49/1068397449.db2.gz WVJCGMYYXOZPHL-SESVDKBCSA-N 1 1 476.666 3.132 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303801830 1068398580 /nfs/dbraw/zinc/39/85/80/1068398580.db2.gz YRXYCQJJUHDZMS-TZIWHRDSSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303801830 1068398595 /nfs/dbraw/zinc/39/85/95/1068398595.db2.gz YRXYCQJJUHDZMS-TZIWHRDSSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@H](c1ccccc1F)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303803767 1068403286 /nfs/dbraw/zinc/40/32/86/1068403286.db2.gz OXYXJPVUKZAGAE-SQGPQFPESA-N 1 1 480.654 3.345 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCCCC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303805498 1068408896 /nfs/dbraw/zinc/40/88/96/1068408896.db2.gz DMPWJOYRBNVULK-RBUKOAKNSA-N 1 1 474.675 3.104 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(C)CCC1 ZINC001303805900 1068410230 /nfs/dbraw/zinc/41/02/30/1068410230.db2.gz GHJFRVGNOOGHEC-FPOVZHCZSA-N 1 1 474.675 3.179 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303807619 1068413338 /nfs/dbraw/zinc/41/33/38/1068413338.db2.gz BCQMJAOYCCPSJG-VQTJNVASSA-N 1 1 499.685 3.337 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303808189 1068414168 /nfs/dbraw/zinc/41/41/68/1068414168.db2.gz CJALGENAIVKGDX-LJQANCHMSA-N 1 1 499.685 3.195 20 0 JGADMO C[C@H]1SCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)[C@H]1C ZINC001305256975 1068419824 /nfs/dbraw/zinc/41/98/24/1068419824.db2.gz ILGQTSKJKACMFQ-ZWKOTPCHSA-N 1 1 460.623 3.002 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)[C@H]1C ZINC001305256806 1068420557 /nfs/dbraw/zinc/42/05/57/1068420557.db2.gz SAGGYMCWQDVPNK-LSDHHAIUSA-N 1 1 469.453 3.088 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001303811489 1068420522 /nfs/dbraw/zinc/42/05/22/1068420522.db2.gz XILHCPZTCKCPBK-DOTOQJQBSA-N 1 1 499.056 3.334 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001305257187 1068421159 /nfs/dbraw/zinc/42/11/59/1068421159.db2.gz SYXHFAGUSSDAEW-CVEARBPZSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001305257187 1068421164 /nfs/dbraw/zinc/42/11/64/1068421164.db2.gz SYXHFAGUSSDAEW-CVEARBPZSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1CC[N@@H+](C)C1CCCCC1 ZINC001303812022 1068421863 /nfs/dbraw/zinc/42/18/63/1068421863.db2.gz SYMCDSSIGVJYJY-QGZVFWFLSA-N 1 1 483.082 3.443 20 0 JGADMO C[C@@H]1SCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@H+]2CCCO)[C@H]1C ZINC001305258157 1068423244 /nfs/dbraw/zinc/42/32/44/1068423244.db2.gz SZQXRRLSLNIVPC-BQFCYCMXSA-N 1 1 451.040 3.171 20 0 JGADMO C[C@H]1SCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001305258947 1068424994 /nfs/dbraw/zinc/42/49/94/1068424994.db2.gz YCBUVIJIDHIELI-VQTJNVASSA-N 1 1 456.660 3.366 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303816606 1068429662 /nfs/dbraw/zinc/42/96/62/1068429662.db2.gz VHJWQMPJIGWHPN-WIYYLYMNSA-N 1 1 488.683 3.251 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001303817970 1068431392 /nfs/dbraw/zinc/43/13/92/1068431392.db2.gz VREPVNWJWYTOKH-QFBILLFUSA-N 1 1 488.649 3.167 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccccc2)C2CC2)C1 ZINC001303819658 1068434439 /nfs/dbraw/zinc/43/44/39/1068434439.db2.gz FMHJAUBTJMWVNB-TZIWHRDSSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001305263468 1068437813 /nfs/dbraw/zinc/43/78/13/1068437813.db2.gz CWPMMLUFNMZGRP-YADHBBJMSA-N 1 1 453.635 3.023 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001305263466 1068437825 /nfs/dbraw/zinc/43/78/25/1068437825.db2.gz CWPMMLUFNMZGRP-VXKWHMMOSA-N 1 1 453.635 3.023 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001305264530 1068442513 /nfs/dbraw/zinc/44/25/13/1068442513.db2.gz GOVAWMWTXXZBQY-FGZHOGPDSA-N 1 1 456.610 3.377 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303827174 1068446349 /nfs/dbraw/zinc/44/63/49/1068446349.db2.gz OSCOXVZCRXOOMF-YHDSQAASSA-N 1 1 492.665 3.174 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305265719 1068446631 /nfs/dbraw/zinc/44/66/31/1068446631.db2.gz MPCIHMHDOIVUBG-UXHICEINSA-N 1 1 484.645 3.189 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC001305269027 1068459930 /nfs/dbraw/zinc/45/99/30/1068459930.db2.gz QFTGEFLKXAWOSE-XMMPIXPASA-N 1 1 475.641 3.259 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305272947 1068474088 /nfs/dbraw/zinc/47/40/88/1068474088.db2.gz ZBULBGZWXJGRHL-OALUTQOASA-N 1 1 474.600 3.374 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001305273361 1068474502 /nfs/dbraw/zinc/47/45/02/1068474502.db2.gz XHBNLKKQWLQNNI-QFIPXVFZSA-N 1 1 498.672 3.080 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001305273361 1068474513 /nfs/dbraw/zinc/47/45/13/1068474513.db2.gz XHBNLKKQWLQNNI-QFIPXVFZSA-N 1 1 498.672 3.080 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305276471 1068478238 /nfs/dbraw/zinc/47/82/38/1068478238.db2.gz IIWPYMXMTFSONX-ZZLPTCMGSA-N 1 1 474.694 3.424 20 0 JGADMO CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305279360 1068481425 /nfs/dbraw/zinc/48/14/25/1068481425.db2.gz NIAJYURSQYNERA-FPOVZHCZSA-N 1 1 476.691 3.425 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCc1ccsc1 ZINC001303848726 1068483109 /nfs/dbraw/zinc/48/31/09/1068483109.db2.gz JJOSCHIGOMOHPM-DYXWJJEUSA-N 1 1 494.731 3.283 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303850866 1068486698 /nfs/dbraw/zinc/48/66/98/1068486698.db2.gz ACFICJBRGJVQHF-PKOBYXMFSA-N 1 1 480.704 3.413 20 0 JGADMO CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001305289243 1068491915 /nfs/dbraw/zinc/49/19/15/1068491915.db2.gz IKUXHVFSPDZTSP-OWHZGTRUSA-N 1 1 456.635 3.067 20 0 JGADMO CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001305288938 1068492021 /nfs/dbraw/zinc/49/20/21/1068492021.db2.gz URLJGLBPBLVXCQ-URXFXBBRSA-N 1 1 482.673 3.325 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001305292008 1068495370 /nfs/dbraw/zinc/49/53/70/1068495370.db2.gz DDRJCAGWQLXZKU-VXKWHMMOSA-N 1 1 451.974 3.200 20 0 JGADMO CC(C)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001303856028 1068496521 /nfs/dbraw/zinc/49/65/21/1068496521.db2.gz DFOWAMGCPFFLDB-IBGZPJMESA-N 1 1 494.681 3.422 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@]3(CC=CCC3)C2)C1 ZINC001303856617 1068496939 /nfs/dbraw/zinc/49/69/39/1068496939.db2.gz YTPNZQWOAHIJMG-IMSXRSKXSA-N 1 1 478.707 3.335 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305294332 1068500472 /nfs/dbraw/zinc/50/04/72/1068500472.db2.gz NRJIFHMRIGQSCI-NXMSCROESA-N 1 1 477.053 3.480 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303887092 1068524710 /nfs/dbraw/zinc/52/47/10/1068524710.db2.gz FGSYDEYKKDHPOT-SJORKVTESA-N 1 1 486.617 3.377 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303887092 1068524723 /nfs/dbraw/zinc/52/47/23/1068524723.db2.gz FGSYDEYKKDHPOT-SJORKVTESA-N 1 1 486.617 3.377 20 0 JGADMO CC[C@@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305313056 1068525046 /nfs/dbraw/zinc/52/50/46/1068525046.db2.gz ORZUWPHMDISDMM-QFQXNSOFSA-N 1 1 471.646 3.324 20 0 JGADMO CC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001305313697 1068526075 /nfs/dbraw/zinc/52/60/75/1068526075.db2.gz GDTMZQSYGCNQEC-ONFVETCGSA-N 1 1 463.667 3.047 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305314357 1068527879 /nfs/dbraw/zinc/52/78/79/1068527879.db2.gz OLZZZXBMOFLQTF-YRWQMTPXSA-N 1 1 471.646 3.353 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305314357 1068527885 /nfs/dbraw/zinc/52/78/85/1068527885.db2.gz OLZZZXBMOFLQTF-YRWQMTPXSA-N 1 1 471.646 3.353 20 0 JGADMO C[C@H](O)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001303889568 1068528150 /nfs/dbraw/zinc/52/81/50/1068528150.db2.gz DOAAPSUWUDJAGH-REWPJTCUSA-N 1 1 471.646 3.416 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001305314988 1068528352 /nfs/dbraw/zinc/52/83/52/1068528352.db2.gz QHRYVWQSZJAWHS-WOVHNISZSA-N 1 1 470.662 3.314 20 0 JGADMO CC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001305315294 1068529279 /nfs/dbraw/zinc/52/92/79/1068529279.db2.gz ZKASWEGJRJKGNS-AREMUKBSSA-N 1 1 488.652 3.152 20 0 JGADMO CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305315697 1068529775 /nfs/dbraw/zinc/52/97/75/1068529775.db2.gz VGZJMIHWSJGASJ-KJWPAHLWSA-N 1 1 457.667 3.392 20 0 JGADMO CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305315696 1068529864 /nfs/dbraw/zinc/52/98/64/1068529864.db2.gz VGZJMIHWSJGASJ-HOKHCIIBSA-N 1 1 457.667 3.392 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305317834 1068533710 /nfs/dbraw/zinc/53/37/10/1068533710.db2.gz ITPLYEQIEFXVAX-GIMINZRKSA-N 1 1 496.425 3.165 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305317834 1068533713 /nfs/dbraw/zinc/53/37/13/1068533713.db2.gz ITPLYEQIEFXVAX-GIMINZRKSA-N 1 1 496.425 3.165 20 0 JGADMO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305318208 1068534149 /nfs/dbraw/zinc/53/41/49/1068534149.db2.gz XFYSUMMKHWXBIY-AXCBGKTRSA-N 1 1 463.667 3.254 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 ZINC001303897364 1068538377 /nfs/dbraw/zinc/53/83/77/1068538377.db2.gz INXQAQWFKWFZSU-NRFANRHFSA-N 1 1 474.625 3.200 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCSCC2)CC1 ZINC001303898425 1068540750 /nfs/dbraw/zinc/54/07/50/1068540750.db2.gz PDENPROXUYZCGY-IBGZPJMESA-N 1 1 462.639 3.136 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001305322533 1068541678 /nfs/dbraw/zinc/54/16/78/1068541678.db2.gz OWNCNUQYUIGMHV-OKPIPSCLSA-N 1 1 486.661 3.023 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001303899953 1068542790 /nfs/dbraw/zinc/54/27/90/1068542790.db2.gz XMFMBQKLAIIGMS-FQEVSTJZSA-N 1 1 487.624 3.235 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303899937 1068542810 /nfs/dbraw/zinc/54/28/10/1068542810.db2.gz XHQKYWMBZWFISI-WFXMLNOXSA-N 1 1 472.609 3.379 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001303902133 1068545425 /nfs/dbraw/zinc/54/54/25/1068545425.db2.gz LZNLGFILOLIKGX-NFBKMPQASA-N 1 1 474.625 3.198 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001305325407 1068546455 /nfs/dbraw/zinc/54/64/55/1068546455.db2.gz FBGBXHYDTDOUSL-VVZHRXSXSA-N 1 1 471.646 3.170 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305326815 1068549351 /nfs/dbraw/zinc/54/93/51/1068549351.db2.gz ZKIPLALKVCNNIP-WKGYELDXSA-N 1 1 457.619 3.432 20 0 JGADMO CC(C)[C@@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1ccc(F)cc1)[NH+]1CCOCC1 ZINC001303905693 1068550856 /nfs/dbraw/zinc/55/08/56/1068550856.db2.gz USONTYLMHAUSCA-LAUBAEHRSA-N 1 1 457.554 3.391 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(Nc2ccn(C)n2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303905725 1068551049 /nfs/dbraw/zinc/55/10/49/1068551049.db2.gz VDYISISLHRYUJQ-SFHVURJKSA-N 1 1 470.597 3.308 20 0 JGADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccon2)n1CCC[NH+]1CCOCC1 ZINC001303906323 1068552223 /nfs/dbraw/zinc/55/22/23/1068552223.db2.gz GSPYQQLPAQZZGU-QGZVFWFLSA-N 1 1 460.966 3.418 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305330018 1068555372 /nfs/dbraw/zinc/55/53/72/1068555372.db2.gz UHYVGNJBDFCKSI-CJFMBICVSA-N 1 1 451.619 3.188 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001305332024 1068560318 /nfs/dbraw/zinc/56/03/18/1068560318.db2.gz XVRDNLLJHUZKKK-CJAUYULYSA-N 1 1 474.650 3.360 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2COCCO2)CC1 ZINC001303913526 1068562465 /nfs/dbraw/zinc/56/24/65/1068562465.db2.gz VBWFJSJGLNJDRG-NQIIRXRSSA-N 1 1 464.010 3.407 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305333959 1068563705 /nfs/dbraw/zinc/56/37/05/1068563705.db2.gz KLIAQZLFRRWVTO-OREGWCPLSA-N 1 1 485.673 3.386 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CC[NH+]1CCCCC1 ZINC001303915119 1068565947 /nfs/dbraw/zinc/56/59/47/1068565947.db2.gz LWUSFCDIBUOWHP-FHWLQOOXSA-N 1 1 481.638 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001303915737 1068566662 /nfs/dbraw/zinc/56/66/62/1068566662.db2.gz VPOXGKPYVZFURO-OPYAIIAOSA-N 1 1 475.037 3.374 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303915838 1068567048 /nfs/dbraw/zinc/56/70/48/1068567048.db2.gz XFOZZUBGMMNHOR-YGKZAACZSA-N 1 1 464.010 3.142 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303917054 1068569350 /nfs/dbraw/zinc/56/93/50/1068569350.db2.gz PATMQENZOVCXHT-ULQDDVLXSA-N 1 1 455.538 3.031 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCO1 ZINC001303922142 1068573098 /nfs/dbraw/zinc/57/30/98/1068573098.db2.gz IJWZQHXVLDDHSA-MOPGFXCFSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCO1 ZINC001303922142 1068573107 /nfs/dbraw/zinc/57/31/07/1068573107.db2.gz IJWZQHXVLDDHSA-MOPGFXCFSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCO1 ZINC001303922143 1068573352 /nfs/dbraw/zinc/57/33/52/1068573352.db2.gz IJWZQHXVLDDHSA-OALUTQOASA-N 1 1 461.582 3.283 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCO1 ZINC001303922143 1068573368 /nfs/dbraw/zinc/57/33/68/1068573368.db2.gz IJWZQHXVLDDHSA-OALUTQOASA-N 1 1 461.582 3.283 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001303922277 1068573970 /nfs/dbraw/zinc/57/39/70/1068573970.db2.gz HMNRWYRZWZAPCK-NTKDMRAZSA-N 1 1 461.582 3.021 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303923894 1068578183 /nfs/dbraw/zinc/57/81/83/1068578183.db2.gz RNEWDAACDXJOLM-ROUUACIJSA-N 1 1 490.605 3.202 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305343928 1068581962 /nfs/dbraw/zinc/58/19/62/1068581962.db2.gz WTAMYCDPYPUXBI-MZLICYQSSA-N 1 1 459.660 3.197 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305343928 1068581965 /nfs/dbraw/zinc/58/19/65/1068581965.db2.gz WTAMYCDPYPUXBI-MZLICYQSSA-N 1 1 459.660 3.197 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303925964 1068582344 /nfs/dbraw/zinc/58/23/44/1068582344.db2.gz GIVDCULALLFZBF-SVFBPWRDSA-N 1 1 472.609 3.489 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001303925927 1068582600 /nfs/dbraw/zinc/58/26/00/1068582600.db2.gz FVQKLSGFNOUUJZ-SFHVURJKSA-N 1 1 498.607 3.021 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303925963 1068582768 /nfs/dbraw/zinc/58/27/68/1068582768.db2.gz GIVDCULALLFZBF-IRFCIJBXSA-N 1 1 472.609 3.489 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 ZINC001303926206 1068583091 /nfs/dbraw/zinc/58/30/91/1068583091.db2.gz IPMPDTNJEDQJEK-UPTQXZAWSA-N 1 1 463.623 3.389 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001303926355 1068584412 /nfs/dbraw/zinc/58/44/12/1068584412.db2.gz KMKVVTMBGUVESP-SFHVURJKSA-N 1 1 495.603 3.410 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC(=O)N(C)C ZINC001303926427 1068584502 /nfs/dbraw/zinc/58/45/02/1068584502.db2.gz LEQCJSRVULROGZ-SFHVURJKSA-N 1 1 458.582 3.100 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)OC ZINC001305345728 1068585071 /nfs/dbraw/zinc/58/50/71/1068585071.db2.gz DKGDEZRSSUXTCW-TWWGPRNNSA-N 1 1 475.659 3.083 20 0 JGADMO CC[C@@H](C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)OC ZINC001305348969 1068591602 /nfs/dbraw/zinc/59/16/02/1068591602.db2.gz FHGXNOOCGRTWPV-QPPBQGQZSA-N 1 1 497.688 3.172 20 0 JGADMO CC[C@@H](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)OC ZINC001305348976 1068592144 /nfs/dbraw/zinc/59/21/44/1068592144.db2.gz FHGXNOOCGRTWPV-ZJSXRUAMSA-N 1 1 497.688 3.172 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001305350267 1068593829 /nfs/dbraw/zinc/59/38/29/1068593829.db2.gz HFUAIDFRXHGTAI-DHNNRRLOSA-N 1 1 481.649 3.049 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303936869 1068595720 /nfs/dbraw/zinc/59/57/20/1068595720.db2.gz MWXJDYPCOPHORU-WOJBJXKFSA-N 1 1 493.649 3.447 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303936865 1068595795 /nfs/dbraw/zinc/59/57/95/1068595795.db2.gz MWXJDYPCOPHORU-PMACEKPBSA-N 1 1 493.649 3.447 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303950638 1068612644 /nfs/dbraw/zinc/61/26/44/1068612644.db2.gz OCRJMWHEISAGEJ-OAQYLSRUSA-N 1 1 468.646 3.125 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305378894 1068631860 /nfs/dbraw/zinc/63/18/60/1068631860.db2.gz YJGPJABYYKXQFI-INIZCTEOSA-N 1 1 464.561 3.256 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001305378894 1068631865 /nfs/dbraw/zinc/63/18/65/1068631865.db2.gz YJGPJABYYKXQFI-INIZCTEOSA-N 1 1 464.561 3.256 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305390982 1068636088 /nfs/dbraw/zinc/63/60/88/1068636088.db2.gz GMRVWSKIGMNAFV-PCCBWWKXSA-N 1 1 456.635 3.094 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC001305398443 1068640731 /nfs/dbraw/zinc/64/07/31/1068640731.db2.gz MANZGWQNGNQJEC-AGDMDRQQSA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC001305398443 1068640737 /nfs/dbraw/zinc/64/07/37/1068640737.db2.gz MANZGWQNGNQJEC-AGDMDRQQSA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC001305398234 1068640815 /nfs/dbraw/zinc/64/08/15/1068640815.db2.gz KVKMQNXHAUYUEU-IFMALSPDSA-N 1 1 488.677 3.314 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC001305398234 1068640819 /nfs/dbraw/zinc/64/08/19/1068640819.db2.gz KVKMQNXHAUYUEU-IFMALSPDSA-N 1 1 488.677 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001305399281 1068641525 /nfs/dbraw/zinc/64/15/25/1068641525.db2.gz QBSJYYNUQFGLIQ-PCCBWWKXSA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001305399281 1068641529 /nfs/dbraw/zinc/64/15/29/1068641529.db2.gz QBSJYYNUQFGLIQ-PCCBWWKXSA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305399815 1068642034 /nfs/dbraw/zinc/64/20/34/1068642034.db2.gz SWYLBNCFLWBHLJ-ATIYNZHBSA-N 1 1 485.746 3.487 20 0 JGADMO CC[C@@H](C)c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001305406735 1068646146 /nfs/dbraw/zinc/64/61/46/1068646146.db2.gz KGKYUKQBARCZKL-IEBWSBKVSA-N 1 1 455.632 3.455 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCc1ccccc1 ZINC001305410405 1068648672 /nfs/dbraw/zinc/64/86/72/1068648672.db2.gz HDLBYQLCSSALCR-IMSXRSKXSA-N 1 1 452.647 3.413 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305409989 1068648696 /nfs/dbraw/zinc/64/86/96/1068648696.db2.gz KVWJLNPAWGJZIG-CDJZJNNCSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001305410666 1068649303 /nfs/dbraw/zinc/64/93/03/1068649303.db2.gz BEXXUVBUKMEBBV-RRFJBIMHSA-N 1 1 489.974 3.403 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1Cl ZINC001305412690 1068651309 /nfs/dbraw/zinc/65/13/09/1068651309.db2.gz QVHCLLWRZFEIIK-NPPFBWRTSA-N 1 1 459.038 3.482 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)SC ZINC001305413004 1068651908 /nfs/dbraw/zinc/65/19/08/1068651908.db2.gz SKVNRKZKBWDSEE-NSHGMRRFSA-N 1 1 450.697 3.312 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1ccc(N(C)C)cc1 ZINC001305413836 1068652602 /nfs/dbraw/zinc/65/26/02/1068652602.db2.gz YWVAZJSELXSQCS-WATLYSKOSA-N 1 1 481.689 3.089 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001305423765 1068658878 /nfs/dbraw/zinc/65/88/78/1068658878.db2.gz APGNZDGRCSMNHZ-HOTGVXAUSA-N 1 1 456.557 3.171 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305424695 1068660106 /nfs/dbraw/zinc/66/01/06/1068660106.db2.gz GHIKVYMYYAIFFU-NRFANRHFSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305424695 1068660110 /nfs/dbraw/zinc/66/01/10/1068660110.db2.gz GHIKVYMYYAIFFU-NRFANRHFSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305424695 1068660112 /nfs/dbraw/zinc/66/01/12/1068660112.db2.gz GHIKVYMYYAIFFU-NRFANRHFSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305426053 1068662376 /nfs/dbraw/zinc/66/23/76/1068662376.db2.gz NEGURVNCXNFVHH-VXKWHMMOSA-N 1 1 474.694 3.379 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305427266 1068665310 /nfs/dbraw/zinc/66/53/10/1068665310.db2.gz UHCSSXKNFZIULO-SFTDATJTSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305427843 1068666047 /nfs/dbraw/zinc/66/60/47/1068666047.db2.gz YZLZZPGYTXWLAK-GGAORHGYSA-N 1 1 474.694 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305427844 1068666111 /nfs/dbraw/zinc/66/61/11/1068666111.db2.gz YZLZZPGYTXWLAK-GMAHTHKFSA-N 1 1 474.694 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001305429450 1068667909 /nfs/dbraw/zinc/66/79/09/1068667909.db2.gz MGXGLIIRHITIGC-HRAATJIYSA-N 1 1 467.540 3.144 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001305430385 1068668657 /nfs/dbraw/zinc/66/86/57/1068668657.db2.gz BMYXYYVPYWZGRY-VQTJNVASSA-N 1 1 459.660 3.470 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305432738 1068669802 /nfs/dbraw/zinc/66/98/02/1068669802.db2.gz ZGYKFGHKPOPDHJ-RBUKOAKNSA-N 1 1 458.655 3.067 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@@H]1CSCCS1 ZINC001305437755 1068673087 /nfs/dbraw/zinc/67/30/87/1068673087.db2.gz APRUAORYLPFEEX-PZJWPPBQSA-N 1 1 494.775 3.411 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)Oc1ccccc1OC ZINC001305443040 1068678273 /nfs/dbraw/zinc/67/82/73/1068678273.db2.gz HVJQAFOGEUNIKS-HBMCJLEFSA-N 1 1 457.619 3.426 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305446003 1068681009 /nfs/dbraw/zinc/68/10/09/1068681009.db2.gz TYNJIBKKDONENZ-RDPSFJRHSA-N 1 1 498.720 3.464 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305447914 1068681634 /nfs/dbraw/zinc/68/16/34/1068681634.db2.gz CIPCDBDVEHCVEZ-REWPJTCUSA-N 1 1 484.693 3.436 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305450029 1068684834 /nfs/dbraw/zinc/68/48/34/1068684834.db2.gz PPGCXJKWZDYPDY-RTBURBONSA-N 1 1 464.655 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305450028 1068684909 /nfs/dbraw/zinc/68/49/09/1068684909.db2.gz PPGCXJKWZDYPDY-RBUKOAKNSA-N 1 1 464.655 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305453476 1068690756 /nfs/dbraw/zinc/69/07/56/1068690756.db2.gz AYWPGZRGGYKXMT-XLIONFOSSA-N 1 1 457.623 3.361 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001305459241 1068701075 /nfs/dbraw/zinc/70/10/75/1068701075.db2.gz OHDUKMGURFTCFJ-FQEVSTJZSA-N 1 1 469.634 3.304 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305459926 1068702076 /nfs/dbraw/zinc/70/20/76/1068702076.db2.gz PGDJFECLLSUPEN-JTJYXVOQSA-N 1 1 459.610 3.266 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305459998 1068702800 /nfs/dbraw/zinc/70/28/00/1068702800.db2.gz REMPIWUJNTVFCM-ZCNNSNEGSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001305460986 1068703718 /nfs/dbraw/zinc/70/37/18/1068703718.db2.gz YRJSOFBGJAFBBL-ZCVJKFOLSA-N 1 1 494.606 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CCC[NH+]1CCOCC1 ZINC001305464340 1068707694 /nfs/dbraw/zinc/70/76/94/1068707694.db2.gz VEWPPDQJGDJRNP-KRWDZBQOSA-N 1 1 464.014 3.005 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305492633 1068730899 /nfs/dbraw/zinc/73/08/99/1068730899.db2.gz OGPFQJJPWKYBDE-ACRUOGEOSA-N 1 1 470.666 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305492783 1068731282 /nfs/dbraw/zinc/73/12/82/1068731282.db2.gz UUAIARNVSAVOSB-FKBYEOEOSA-N 1 1 462.683 3.137 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](OCCOC)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305493438 1068731805 /nfs/dbraw/zinc/73/18/05/1068731805.db2.gz ZSICUGBTLVTVFA-WIYYLYMNSA-N 1 1 453.591 3.361 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305496194 1068732974 /nfs/dbraw/zinc/73/29/74/1068732974.db2.gz WUJISXAYXQUFGT-WIYYLYMNSA-N 1 1 458.655 3.141 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305496191 1068733014 /nfs/dbraw/zinc/73/30/14/1068733014.db2.gz WUJISXAYXQUFGT-GHTZIAJQSA-N 1 1 458.655 3.141 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCn1cnc2ccccc21 ZINC001305505957 1068741962 /nfs/dbraw/zinc/74/19/62/1068741962.db2.gz PZIOLQNIYZWQDG-OAQYLSRUSA-N 1 1 480.661 3.222 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCn1cnc2ccccc21 ZINC001305505957 1068741973 /nfs/dbraw/zinc/74/19/73/1068741973.db2.gz PZIOLQNIYZWQDG-OAQYLSRUSA-N 1 1 480.661 3.222 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305508369 1068746510 /nfs/dbraw/zinc/74/65/10/1068746510.db2.gz CLWZFMRJIUNSQA-ISKFKSNPSA-N 1 1 482.673 3.299 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC(=O)NCC(F)F ZINC001305508556 1068747039 /nfs/dbraw/zinc/74/70/39/1068747039.db2.gz IGYPOXZGYGJZPZ-MRXNPFEDSA-N 1 1 452.525 3.024 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCOCc1ccccc1 ZINC001305508883 1068747490 /nfs/dbraw/zinc/74/74/90/1068747490.db2.gz JXFKLCKKVUORGH-OAQYLSRUSA-N 1 1 451.619 3.454 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CCC[NH+]1CCOCC1 ZINC001305509742 1068749152 /nfs/dbraw/zinc/74/91/52/1068749152.db2.gz MEEFCRGWHJJILG-GOSISDBHSA-N 1 1 493.027 3.269 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(Cc3noc(C)n3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305510228 1068750321 /nfs/dbraw/zinc/75/03/21/1068750321.db2.gz OOJXWIUNGVUSGL-QUCCMNQESA-N 1 1 458.655 3.316 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001305510734 1068750724 /nfs/dbraw/zinc/75/07/24/1068750724.db2.gz QYGNOBVDPQZBLE-XUVXKRRUSA-N 1 1 474.654 3.079 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305511566 1068752784 /nfs/dbraw/zinc/75/27/84/1068752784.db2.gz CSHJZTYRABSUGZ-FCHUYYIVSA-N 1 1 482.673 3.423 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305512492 1068754466 /nfs/dbraw/zinc/75/44/66/1068754466.db2.gz XVOUTTIGSLHOBV-GOTSBHOMSA-N 1 1 473.710 3.191 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305513550 1068757867 /nfs/dbraw/zinc/75/78/67/1068757867.db2.gz KSJRDROSNRVEDK-ACRUOGEOSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305517427 1068766116 /nfs/dbraw/zinc/76/61/16/1068766116.db2.gz FYBWONADGQPXNO-PKTZIBPZSA-N 1 1 497.688 3.276 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305517421 1068766159 /nfs/dbraw/zinc/76/61/59/1068766159.db2.gz FYBWONADGQPXNO-DHIUTWEWSA-N 1 1 497.688 3.276 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(C)ccc2Br)CC1 ZINC001305518044 1068767110 /nfs/dbraw/zinc/76/71/10/1068767110.db2.gz WDOGRPKGEABOMR-OAQYLSRUSA-N 1 1 458.400 3.263 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305528131 1068781843 /nfs/dbraw/zinc/78/18/43/1068781843.db2.gz JBFRGXRIHQLOBE-FXAWDEMLSA-N 1 1 461.680 3.038 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305528006 1068782036 /nfs/dbraw/zinc/78/20/36/1068782036.db2.gz ROTZKFCVHDCKNJ-HXUWFJFHSA-N 1 1 489.112 3.440 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001305532129 1068788884 /nfs/dbraw/zinc/78/88/84/1068788884.db2.gz ZERQYDHLBFNJCR-UKILVPOCSA-N 1 1 489.753 3.143 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305532769 1068791175 /nfs/dbraw/zinc/79/11/75/1068791175.db2.gz AEOQLESGZYAZOM-RBUKOAKNSA-N 1 1 471.625 3.174 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCCc1c[nH]nc1C ZINC001305535736 1068796553 /nfs/dbraw/zinc/79/65/53/1068796553.db2.gz BCBIGYIGSFZRJV-QGZVFWFLSA-N 1 1 453.639 3.128 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305537284 1068800613 /nfs/dbraw/zinc/80/06/13/1068800613.db2.gz SAWCLJBXVAXJOD-VXNXHJTFSA-N 1 1 487.737 3.294 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1cccn(CC)c1=O ZINC001305538660 1068804513 /nfs/dbraw/zinc/80/45/13/1068804513.db2.gz BLBASTBLDXAHOM-IBGZPJMESA-N 1 1 452.578 3.483 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305539251 1068806651 /nfs/dbraw/zinc/80/66/51/1068806651.db2.gz DFCSPQBYPJDYTG-XUZZJYLKSA-N 1 1 454.663 3.269 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305539251 1068806671 /nfs/dbraw/zinc/80/66/71/1068806671.db2.gz DFCSPQBYPJDYTG-XUZZJYLKSA-N 1 1 454.663 3.269 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1CCCn1cc[nH+]c1C ZINC001305539174 1068806898 /nfs/dbraw/zinc/80/68/98/1068806898.db2.gz XNESLWMCFRIVSK-LJQANCHMSA-N 1 1 482.608 3.287 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305539255 1068807055 /nfs/dbraw/zinc/80/70/55/1068807055.db2.gz DFCSPQBYPJDYTG-ZJSXRUAMSA-N 1 1 454.663 3.269 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305539255 1068807070 /nfs/dbraw/zinc/80/70/70/1068807070.db2.gz DFCSPQBYPJDYTG-ZJSXRUAMSA-N 1 1 454.663 3.269 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001305539967 1068808928 /nfs/dbraw/zinc/80/89/28/1068808928.db2.gz SMSDTEZFDJXHIH-CJAUYULYSA-N 1 1 457.667 3.405 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC(=O)NCc1ccco1 ZINC001305540637 1068810046 /nfs/dbraw/zinc/81/00/46/1068810046.db2.gz LARWPRPLRCSIGU-WOJBJXKFSA-N 1 1 450.587 3.412 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1nccn1C(F)F ZINC001305542588 1068815850 /nfs/dbraw/zinc/81/58/50/1068815850.db2.gz DWZCBXWJIFUOHJ-GBESFXJTSA-N 1 1 464.609 3.426 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)s1 ZINC001305543164 1068817145 /nfs/dbraw/zinc/81/71/45/1068817145.db2.gz HRAQEWGCGOTAGL-TZIWHRDSSA-N 1 1 460.692 3.441 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC001305543630 1068818480 /nfs/dbraw/zinc/81/84/80/1068818480.db2.gz BQTJMKPCYVBJES-XJUOHMSHSA-N 1 1 471.646 3.473 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CCOC)[C@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544445 1068821042 /nfs/dbraw/zinc/82/10/42/1068821042.db2.gz HZMGURYNKADKCB-XUZZJYLKSA-N 1 1 468.690 3.438 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1cccs1 ZINC001305544799 1068821505 /nfs/dbraw/zinc/82/15/05/1068821505.db2.gz RGIMGBBNFLKRQV-PCCBWWKXSA-N 1 1 487.718 3.278 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546019 1068824180 /nfs/dbraw/zinc/82/41/80/1068824180.db2.gz QEPWAFZSTMUSPV-DHIUTWEWSA-N 1 1 476.710 3.231 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546022 1068824486 /nfs/dbraw/zinc/82/44/86/1068824486.db2.gz QEPWAFZSTMUSPV-XZOQPEGZSA-N 1 1 476.710 3.231 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001305547369 1068826994 /nfs/dbraw/zinc/82/69/94/1068826994.db2.gz YYYOVTUYNNUHNV-RTWAWAEBSA-N 1 1 468.646 3.119 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001305549109 1068828212 /nfs/dbraw/zinc/82/82/12/1068828212.db2.gz WJGLYFQZLJOPPN-ZWOKBUDYSA-N 1 1 460.026 3.304 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001305553666 1068832065 /nfs/dbraw/zinc/83/20/65/1068832065.db2.gz ROYPWYFTTAKMEJ-FHWLQOOXSA-N 1 1 458.573 3.119 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305558978 1068836424 /nfs/dbraw/zinc/83/64/24/1068836424.db2.gz DPCCPSSUYYFRHG-QPTUXGOLSA-N 1 1 471.646 3.433 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305570083 1068844324 /nfs/dbraw/zinc/84/43/24/1068844324.db2.gz DIYUTVQEBMHOBG-KJJMTIBFSA-N 1 1 490.693 3.474 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305570081 1068844350 /nfs/dbraw/zinc/84/43/50/1068844350.db2.gz DIYUTVQEBMHOBG-CMOCDZPBSA-N 1 1 490.693 3.474 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CC=CCC1 ZINC001305574513 1068847828 /nfs/dbraw/zinc/84/78/28/1068847828.db2.gz AQPSLPWMLGIHEP-SFHVURJKSA-N 1 1 459.664 3.291 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305584076 1068853507 /nfs/dbraw/zinc/85/35/07/1068853507.db2.gz YSTGDLOHKDQEFP-HXUWFJFHSA-N 1 1 470.662 3.472 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305584601 1068854484 /nfs/dbraw/zinc/85/44/84/1068854484.db2.gz IQBOKXBGZRMMDN-SIKLNZKXSA-N 1 1 481.645 3.031 20 0 JGADMO CC[C@H](C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305598443 1068862475 /nfs/dbraw/zinc/86/24/75/1068862475.db2.gz KSWLNNSTUCSPRI-IBGZPJMESA-N 1 1 491.706 3.221 20 0 JGADMO CC[C@H](C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305598443 1068862495 /nfs/dbraw/zinc/86/24/95/1068862495.db2.gz KSWLNNSTUCSPRI-IBGZPJMESA-N 1 1 491.706 3.221 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001305603162 1068866987 /nfs/dbraw/zinc/86/69/87/1068866987.db2.gz IMVRIDZHQPKEIS-ARFHVFGLSA-N 1 1 484.617 3.021 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001305603165 1068867054 /nfs/dbraw/zinc/86/70/54/1068867054.db2.gz IMVRIDZHQPKEIS-XHSDSOJGSA-N 1 1 484.617 3.021 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001305603669 1068867899 /nfs/dbraw/zinc/86/78/99/1068867899.db2.gz AJKLTDZMLMWSGT-NQIIRXRSSA-N 1 1 495.093 3.333 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001305604031 1068868480 /nfs/dbraw/zinc/86/84/80/1068868480.db2.gz AFKJNDRYIIQIAT-IBGZPJMESA-N 1 1 454.619 3.133 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001305604289 1068869878 /nfs/dbraw/zinc/86/98/78/1068869878.db2.gz CNJQIARDYUWKPA-XOBRGWDASA-N 1 1 481.464 3.358 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001305605039 1068871169 /nfs/dbraw/zinc/87/11/69/1068871169.db2.gz DAZCVXJVDLHMPE-UFYCRDLUSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001305606169 1068873051 /nfs/dbraw/zinc/87/30/51/1068873051.db2.gz LFYFBDSVLSQRGJ-IRXDYDNUSA-N 1 1 498.491 3.451 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001305605854 1068873208 /nfs/dbraw/zinc/87/32/08/1068873208.db2.gz RHPPWPCUBNBSCS-ABSDTBQOSA-N 1 1 466.627 3.099 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305606839 1068874449 /nfs/dbraw/zinc/87/44/49/1068874449.db2.gz IMUGIGQOIKEYJF-RTBURBONSA-N 1 1 470.643 3.155 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCS(C)(=O)=O ZINC001305607066 1068875279 /nfs/dbraw/zinc/87/52/79/1068875279.db2.gz LIMYNVIKOFAQPG-AWEZNQCLSA-N 1 1 462.447 3.463 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC001305607015 1068875355 /nfs/dbraw/zinc/87/53/55/1068875355.db2.gz OUQUTURTQKMQHF-QJOWDPPASA-N 1 1 495.716 3.492 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001305608099 1068878085 /nfs/dbraw/zinc/87/80/85/1068878085.db2.gz OPTIHLRPCUJNIM-KSFYIVLOSA-N 1 1 475.435 3.154 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001305608096 1068878287 /nfs/dbraw/zinc/87/82/87/1068878287.db2.gz OPTIHLRPCUJNIM-AOMKIAJQSA-N 1 1 475.435 3.154 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001305609025 1068880160 /nfs/dbraw/zinc/88/01/60/1068880160.db2.gz UNTFQVZLNLGWAV-GOSISDBHSA-N 1 1 487.052 3.398 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001305609441 1068880861 /nfs/dbraw/zinc/88/08/61/1068880861.db2.gz DGNJHOUNGRNIHD-RTBURBONSA-N 1 1 451.619 3.130 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC001305609281 1068881074 /nfs/dbraw/zinc/88/10/74/1068881074.db2.gz SGZMWLSEBGPFPY-OALUTQOASA-N 1 1 482.633 3.259 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001305609845 1068883116 /nfs/dbraw/zinc/88/31/16/1068883116.db2.gz UZYNFZBBBIFVOL-GJZGRUSLSA-N 1 1 482.427 3.043 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001305610053 1068884056 /nfs/dbraw/zinc/88/40/56/1068884056.db2.gz YETMDXNMNZPKTO-AZUAARDMSA-N 1 1 459.591 3.034 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001305610421 1068884562 /nfs/dbraw/zinc/88/45/62/1068884562.db2.gz HPPUMPNSCFRAHX-OAQYLSRUSA-N 1 1 469.678 3.489 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001305610843 1068885244 /nfs/dbraw/zinc/88/52/44/1068885244.db2.gz IJSQFZCZTFXFAA-HXUWFJFHSA-N 1 1 459.639 3.319 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001305610932 1068885634 /nfs/dbraw/zinc/88/56/34/1068885634.db2.gz XEIOVVACRBAKBL-NZQKXSOJSA-N 1 1 467.618 3.094 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001305611871 1068886974 /nfs/dbraw/zinc/88/69/74/1068886974.db2.gz OCKPSFVTLJUXKF-NRSPTQNISA-N 1 1 469.634 3.374 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001305612409 1068887478 /nfs/dbraw/zinc/88/74/78/1068887478.db2.gz DBADGCSIKQDFKQ-GOSISDBHSA-N 1 1 465.602 3.214 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001305612246 1068887606 /nfs/dbraw/zinc/88/76/06/1068887606.db2.gz QILJLNYNJRMGRG-FQEVSTJZSA-N 1 1 455.651 3.243 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cscn1 ZINC001305612551 1068887752 /nfs/dbraw/zinc/88/77/52/1068887752.db2.gz BQZYXDYZAZYFAS-SFHVURJKSA-N 1 1 469.663 3.275 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001305613318 1068888783 /nfs/dbraw/zinc/88/87/83/1068888783.db2.gz FNPOVAGECGZSGC-IBGZPJMESA-N 1 1 456.610 3.306 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 ZINC001305613558 1068889065 /nfs/dbraw/zinc/88/90/65/1068889065.db2.gz WHXLGMUQJDJVLW-IBGZPJMESA-N 1 1 451.619 3.226 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC001305613831 1068889779 /nfs/dbraw/zinc/88/97/79/1068889779.db2.gz KKLXCNGZEKEPIC-CTNGQTDRSA-N 1 1 466.634 3.133 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCn1cccn1 ZINC001305613630 1068889894 /nfs/dbraw/zinc/88/98/94/1068889894.db2.gz GRGMLUBEXYSRRH-HXUWFJFHSA-N 1 1 488.681 3.456 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001305614167 1068890536 /nfs/dbraw/zinc/89/05/36/1068890536.db2.gz LYCKOKBCOXOXJL-KKSFZXQISA-N 1 1 459.545 3.265 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001305614246 1068891178 /nfs/dbraw/zinc/89/11/78/1068891178.db2.gz NHFYYISNQUZXIE-CEXWTWQISA-N 1 1 451.619 3.497 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC ZINC001305614431 1068891257 /nfs/dbraw/zinc/89/12/57/1068891257.db2.gz KTTUWEOYTHDTKP-OALUTQOASA-N 1 1 452.644 3.206 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC ZINC001305614432 1068891447 /nfs/dbraw/zinc/89/14/47/1068891447.db2.gz KTTUWEOYTHDTKP-RBUKOAKNSA-N 1 1 452.644 3.206 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305615164 1068892585 /nfs/dbraw/zinc/89/25/85/1068892585.db2.gz OYQRDIVEMOCXFB-HZPDHXFCSA-N 1 1 459.620 3.249 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)NC)CC1 ZINC001305615477 1068893303 /nfs/dbraw/zinc/89/33/03/1068893303.db2.gz WOVDMCKISBOZSV-SFHVURJKSA-N 1 1 465.602 3.293 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001305615924 1068894221 /nfs/dbraw/zinc/89/42/21/1068894221.db2.gz RSRMPPUOKVSXLH-WOJBJXKFSA-N 1 1 493.697 3.084 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 ZINC001305616785 1068896685 /nfs/dbraw/zinc/89/66/85/1068896685.db2.gz IGPVDZPUFIJWRG-OALUTQOASA-N 1 1 469.721 3.167 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305616815 1068896833 /nfs/dbraw/zinc/89/68/33/1068896833.db2.gz IMBKYZIZPLCVFW-ZWKOTPCHSA-N 1 1 450.628 3.006 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001305617013 1068897252 /nfs/dbraw/zinc/89/72/52/1068897252.db2.gz FVABLUNADDTNPH-PZJWPPBQSA-N 1 1 453.635 3.498 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001305616914 1068897299 /nfs/dbraw/zinc/89/72/99/1068897299.db2.gz YDLHVTTZOOWDIR-RTWAWAEBSA-N 1 1 486.636 3.394 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001305616949 1068897318 /nfs/dbraw/zinc/89/73/18/1068897318.db2.gz JKPDWUOIUKYCPR-HKUYNNGSSA-N 1 1 463.623 3.219 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001305616951 1068897389 /nfs/dbraw/zinc/89/73/89/1068897389.db2.gz JKPDWUOIUKYCPR-MJGOQNOKSA-N 1 1 463.623 3.219 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001305617011 1068897429 /nfs/dbraw/zinc/89/74/29/1068897429.db2.gz FVABLUNADDTNPH-CTNGQTDRSA-N 1 1 453.635 3.498 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305617174 1068898320 /nfs/dbraw/zinc/89/83/20/1068898320.db2.gz YLPYELPFQJNHEA-GBESFXJTSA-N 1 1 450.628 3.353 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001305617590 1068898675 /nfs/dbraw/zinc/89/86/75/1068898675.db2.gz LYVYHCWBGNWVSH-PZJWPPBQSA-N 1 1 460.667 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@@H]1CCCO1 ZINC001305617711 1068899344 /nfs/dbraw/zinc/89/93/44/1068899344.db2.gz MNOIASVDFVFKSQ-PCCBWWKXSA-N 1 1 494.681 3.322 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001305617792 1068899643 /nfs/dbraw/zinc/89/96/43/1068899643.db2.gz ANZHQQXYSQLCKT-SFTDATJTSA-N 1 1 458.676 3.130 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001305618406 1068901178 /nfs/dbraw/zinc/90/11/78/1068901178.db2.gz DEFIOZLLRXPWSN-LJQANCHMSA-N 1 1 472.609 3.318 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001305618694 1068901830 /nfs/dbraw/zinc/90/18/30/1068901830.db2.gz MNYIDIMHKQJLKK-OAQYLSRUSA-N 1 1 496.660 3.162 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001305618712 1068902183 /nfs/dbraw/zinc/90/21/83/1068902183.db2.gz DGPADDZSDKYEJB-UYAOXDASSA-N 1 1 479.094 3.475 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305619248 1068902638 /nfs/dbraw/zinc/90/26/38/1068902638.db2.gz FWTLBJSYXKBXBX-XRXFAXGQSA-N 1 1 483.723 3.331 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001305619167 1068903007 /nfs/dbraw/zinc/90/30/07/1068903007.db2.gz FIDQWDWCPLIJSR-FCHUYYIVSA-N 1 1 468.646 3.405 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cccnn2)CC1 ZINC001305619290 1068903501 /nfs/dbraw/zinc/90/35/01/1068903501.db2.gz GQQHWFBDCKUNIZ-OAQYLSRUSA-N 1 1 464.618 3.012 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cccnn2)CC1 ZINC001305619289 1068903560 /nfs/dbraw/zinc/90/35/60/1068903560.db2.gz GQQHWFBDCKUNIZ-NRFANRHFSA-N 1 1 464.618 3.012 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001305619957 1068904307 /nfs/dbraw/zinc/90/43/07/1068904307.db2.gz UJKWJUBFQOQSNC-UGKGYDQZSA-N 1 1 486.636 3.184 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001305620315 1068904900 /nfs/dbraw/zinc/90/49/00/1068904900.db2.gz JBPWHRPRIPKSRU-JBACZVJFSA-N 1 1 491.681 3.185 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001305620507 1068905426 /nfs/dbraw/zinc/90/54/26/1068905426.db2.gz LONOPXSVBKPUCH-UXHICEINSA-N 1 1 473.691 3.076 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001305620364 1068905497 /nfs/dbraw/zinc/90/54/97/1068905497.db2.gz VJOWRHWDCYKAMA-HOOSLVGPSA-N 1 1 463.573 3.262 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](COC)C1 ZINC001305621822 1068909001 /nfs/dbraw/zinc/90/90/01/1068909001.db2.gz WYXBYKPKMUJRCN-RTWAWAEBSA-N 1 1 453.635 3.500 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC001305622235 1068910285 /nfs/dbraw/zinc/91/02/85/1068910285.db2.gz ZBKMNMANPXFZGD-LAUBAEHRSA-N 1 1 472.663 3.158 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001305622247 1068911306 /nfs/dbraw/zinc/91/13/06/1068911306.db2.gz OUTKHUQBNPYXHC-WBADGQHESA-N 1 1 476.710 3.086 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305622898 1068911972 /nfs/dbraw/zinc/91/19/72/1068911972.db2.gz QZOKSMCIEJQTSW-LJQANCHMSA-N 1 1 489.640 3.357 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@@H](c3nc(C)no3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305623187 1068912969 /nfs/dbraw/zinc/91/29/69/1068912969.db2.gz SMVDVNPCSGESHD-MFSJNOQSSA-N 1 1 475.638 3.124 20 0 JGADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001305623517 1068913791 /nfs/dbraw/zinc/91/37/91/1068913791.db2.gz LMRCITSNTGHAHQ-NFBKMPQASA-N 1 1 468.646 3.279 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001305623422 1068914525 /nfs/dbraw/zinc/91/45/25/1068914525.db2.gz UDZKXOMPBMXQKJ-OHUGHZGNSA-N 1 1 492.665 3.076 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001305623721 1068915570 /nfs/dbraw/zinc/91/55/70/1068915570.db2.gz VRWPRSBIRDNDRY-UGKGYDQZSA-N 1 1 483.617 3.474 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001305623742 1068915959 /nfs/dbraw/zinc/91/59/59/1068915959.db2.gz VXURYUOMJVMFSU-CPJSRVTESA-N 1 1 470.618 3.235 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305624400 1068917784 /nfs/dbraw/zinc/91/77/84/1068917784.db2.gz QWFKDYAWWGRTMX-PKOBYXMFSA-N 1 1 450.628 3.353 20 0 JGADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC001305624726 1068918112 /nfs/dbraw/zinc/91/81/12/1068918112.db2.gz TZKVGOVFMLPVSO-IFMALSPDSA-N 1 1 468.646 3.137 20 0 JGADMO CC[C@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001305624732 1068918137 /nfs/dbraw/zinc/91/81/37/1068918137.db2.gz TZKVGOVFMLPVSO-UNMCSNQZSA-N 1 1 468.646 3.137 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001305625223 1068919374 /nfs/dbraw/zinc/91/93/74/1068919374.db2.gz WSJPYEQQUCTZPE-FIXSFTCYSA-N 1 1 470.662 3.367 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001305628766 1068929825 /nfs/dbraw/zinc/92/98/25/1068929825.db2.gz PLMGYLLHWSOTJJ-RBUKOAKNSA-N 1 1 468.602 3.153 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001305628884 1068930358 /nfs/dbraw/zinc/93/03/58/1068930358.db2.gz KWCPGKFQSAVIJZ-NNMXDRDESA-N 1 1 489.064 3.450 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305629806 1068933416 /nfs/dbraw/zinc/93/34/16/1068933416.db2.gz CYWCZWQYVWQAAP-GOSISDBHSA-N 1 1 496.635 3.062 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305630445 1068935056 /nfs/dbraw/zinc/93/50/56/1068935056.db2.gz FGFDEIYXMIZJEP-FQEVSTJZSA-N 1 1 456.635 3.105 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305630445 1068935066 /nfs/dbraw/zinc/93/50/66/1068935066.db2.gz FGFDEIYXMIZJEP-FQEVSTJZSA-N 1 1 456.635 3.105 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305635833 1068946176 /nfs/dbraw/zinc/94/61/76/1068946176.db2.gz TYQDGVSHCHYXOA-RBBKRZOGSA-N 1 1 476.629 3.141 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001305639935 1068954732 /nfs/dbraw/zinc/95/47/32/1068954732.db2.gz CDERLLCSHVSKCN-NHCUHLMSSA-N 1 1 456.635 3.309 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001305641050 1068958140 /nfs/dbraw/zinc/95/81/40/1068958140.db2.gz BVZBUSIXZHPHFU-TXTKFYIRSA-N 1 1 484.645 3.326 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001305643714 1068967012 /nfs/dbraw/zinc/96/70/12/1068967012.db2.gz NYKJJHNSKIRCIB-PMACEKPBSA-N 1 1 451.619 3.116 20 0 JGADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305644437 1068969123 /nfs/dbraw/zinc/96/91/23/1068969123.db2.gz HQDQJIHFDSBJMG-FYYLOGMGSA-N 1 1 481.689 3.022 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001305644841 1068971009 /nfs/dbraw/zinc/97/10/09/1068971009.db2.gz PMPFTXHZIZKZEP-CEMLEFRQSA-N 1 1 454.619 3.145 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001305655216 1068993881 /nfs/dbraw/zinc/99/38/81/1068993881.db2.gz RMBUPOKDUCQJAW-DMDYGQEQSA-N 1 1 496.700 3.481 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305662265 1069002384 /nfs/dbraw/zinc/00/23/84/1069002384.db2.gz UAZYDOHRBHGLMS-QTJGBDASSA-N 1 1 482.673 3.282 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305666761 1069009837 /nfs/dbraw/zinc/00/98/37/1069009837.db2.gz UXKLVZMXTFZHNW-ATIYNZHBSA-N 1 1 468.646 3.036 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001305669369 1069013330 /nfs/dbraw/zinc/01/33/30/1069013330.db2.gz DKFNSDFFCAKENB-CUBQBAPOSA-N 1 1 496.700 3.362 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001305669369 1069013341 /nfs/dbraw/zinc/01/33/41/1069013341.db2.gz DKFNSDFFCAKENB-CUBQBAPOSA-N 1 1 496.700 3.362 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001305673134 1069022858 /nfs/dbraw/zinc/02/28/58/1069022858.db2.gz QEYAOTNLZNRKMS-PKTZIBPZSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001305675229 1069027689 /nfs/dbraw/zinc/02/76/89/1069027689.db2.gz AZZYVAITMBYRGJ-LOSJGSFVSA-N 1 1 498.716 3.212 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677067 1069031702 /nfs/dbraw/zinc/03/17/02/1069031702.db2.gz WEAZZNOMIVDKGZ-JWQCQUIFSA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677067 1069031711 /nfs/dbraw/zinc/03/17/11/1069031711.db2.gz WEAZZNOMIVDKGZ-JWQCQUIFSA-N 1 1 495.716 3.293 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305679311 1069036547 /nfs/dbraw/zinc/03/65/47/1069036547.db2.gz HTDUHMPSQPNZRH-YADHBBJMSA-N 1 1 484.645 3.256 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305679311 1069036553 /nfs/dbraw/zinc/03/65/53/1069036553.db2.gz HTDUHMPSQPNZRH-YADHBBJMSA-N 1 1 484.645 3.256 20 0 JGADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001305679368 1069037577 /nfs/dbraw/zinc/03/75/77/1069037577.db2.gz XUIPUHYTFWIAFZ-HSZRJFAPSA-N 1 1 463.630 3.098 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001305686904 1069048629 /nfs/dbraw/zinc/04/86/29/1069048629.db2.gz LHOXMBSPJDEZOX-SIKLNZKXSA-N 1 1 487.645 3.324 20 0 JGADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305690789 1069057862 /nfs/dbraw/zinc/05/78/62/1069057862.db2.gz QVUBSWKZNRJIOT-UHFFFAOYSA-N 1 1 468.650 3.161 20 0 JGADMO CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001305692634 1069061295 /nfs/dbraw/zinc/06/12/95/1069061295.db2.gz IPQURZFGIWDSTR-SIKLNZKXSA-N 1 1 460.667 3.130 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001305703526 1069087141 /nfs/dbraw/zinc/08/71/41/1069087141.db2.gz BBACDNVHKTZUNW-CTNGQTDRSA-N 1 1 499.660 3.066 20 0 JGADMO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001305704967 1069092227 /nfs/dbraw/zinc/09/22/27/1069092227.db2.gz HGIMYOHAUSBLQK-XMMPIXPASA-N 1 1 479.677 3.152 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001305706396 1069095437 /nfs/dbraw/zinc/09/54/37/1069095437.db2.gz NQBNVEXMFLNOFH-PZJWPPBQSA-N 1 1 469.634 3.299 20 0 JGADMO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([NH2+]C(C)C)CC1)N1CCOCC1 ZINC001305713272 1069114715 /nfs/dbraw/zinc/11/47/15/1069114715.db2.gz FJZNKRZUXDXSLM-DHIUTWEWSA-N 1 1 462.683 3.233 20 0 JGADMO CCC(CC)[C@H](Cn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001305713830 1069116502 /nfs/dbraw/zinc/11/65/02/1069116502.db2.gz HHXOJBTZNANBLL-QHCPKHFHSA-N 1 1 476.710 3.014 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001305722202 1069133233 /nfs/dbraw/zinc/13/32/33/1069133233.db2.gz HWHWZXXKBJEYAM-LJQANCHMSA-N 1 1 465.602 3.301 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001305723321 1069136043 /nfs/dbraw/zinc/13/60/43/1069136043.db2.gz NVSKHSNXESLOCI-QGZVFWFLSA-N 1 1 496.578 3.464 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001305723321 1069136057 /nfs/dbraw/zinc/13/60/57/1069136057.db2.gz NVSKHSNXESLOCI-QGZVFWFLSA-N 1 1 496.578 3.464 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001305724225 1069138658 /nfs/dbraw/zinc/13/86/58/1069138658.db2.gz SMTADLFAQRVFHK-IAGOWNOFSA-N 1 1 470.647 3.352 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305725111 1069140543 /nfs/dbraw/zinc/14/05/43/1069140543.db2.gz VYJFUONHDMNIBV-SJORKVTESA-N 1 1 470.647 3.352 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CC[N@H+]1CCC[C@@H]1C ZINC001305726354 1069143501 /nfs/dbraw/zinc/14/35/01/1069143501.db2.gz YZUSFMZWUYKRLN-SFHVURJKSA-N 1 1 470.618 3.088 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCc2ccccc21 ZINC001305731192 1069151231 /nfs/dbraw/zinc/15/12/31/1069151231.db2.gz NCCRRAVAQAXTIW-RZUBCFFCSA-N 1 1 482.673 3.472 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCc2ccccc21 ZINC001305731192 1069151237 /nfs/dbraw/zinc/15/12/37/1069151237.db2.gz NCCRRAVAQAXTIW-RZUBCFFCSA-N 1 1 482.673 3.472 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCc1ccccc1F ZINC001305735724 1069156627 /nfs/dbraw/zinc/15/66/27/1069156627.db2.gz KJZJZEZHXNNRJG-AUSIDOKSSA-N 1 1 486.636 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305736047 1069157183 /nfs/dbraw/zinc/15/71/83/1069157183.db2.gz MOARKQQNWCLWJM-FNZWTVRRSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001305736444 1069158244 /nfs/dbraw/zinc/15/82/44/1069158244.db2.gz PXCXMWNCYHRJPZ-TUACAJSNSA-N 1 1 497.688 3.188 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001305737045 1069159766 /nfs/dbraw/zinc/15/97/66/1069159766.db2.gz DDIQPBBOHQDJQT-FQEVSTJZSA-N 1 1 490.693 3.235 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccccc1-n1cccn1 ZINC001305737201 1069160390 /nfs/dbraw/zinc/16/03/90/1069160390.db2.gz GLOSIGKPNZSMEI-PMACEKPBSA-N 1 1 478.645 3.349 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCOc1ncccc1Cl ZINC001305738194 1069163117 /nfs/dbraw/zinc/16/31/17/1069163117.db2.gz LVCYFWAMBABUEC-IRXDYDNUSA-N 1 1 478.041 3.243 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@H](OC)c1ccccc1 ZINC001305740533 1069170912 /nfs/dbraw/zinc/17/09/12/1069170912.db2.gz OZQJJRJSOQIOBP-YUXAGFNASA-N 1 1 454.619 3.257 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741528 1069173621 /nfs/dbraw/zinc/17/36/21/1069173621.db2.gz STXVOQOHZVKSQB-HBMCJLEFSA-N 1 1 495.672 3.169 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCc1sc(C)nc1C ZINC001305742584 1069177360 /nfs/dbraw/zinc/17/73/60/1069177360.db2.gz WABBHYSNYQQGMN-HOTGVXAUSA-N 1 1 461.680 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCc1sc(C)nc1C ZINC001305742581 1069177497 /nfs/dbraw/zinc/17/74/97/1069177497.db2.gz WABBHYSNYQQGMN-CVEARBPZSA-N 1 1 461.680 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1Cc1cc(C(C)(C)C)no1 ZINC001305743055 1069178673 /nfs/dbraw/zinc/17/86/73/1069178673.db2.gz ZLWRNDJGELYGRA-AEFFLSMTSA-N 1 1 457.623 3.203 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305743145 1069178712 /nfs/dbraw/zinc/17/87/12/1069178712.db2.gz QVYYZDJZHMVVJR-ACRUOGEOSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1cc(C(C)(C)C)no1 ZINC001305743058 1069178763 /nfs/dbraw/zinc/17/87/63/1069178763.db2.gz ZLWRNDJGELYGRA-WMZOPIPTSA-N 1 1 457.623 3.203 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCCn1nc(C)cc1C ZINC001305743753 1069181183 /nfs/dbraw/zinc/18/11/83/1069181183.db2.gz YLXOSLXHHITVDJ-WOJBJXKFSA-N 1 1 458.655 3.019 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305744732 1069184398 /nfs/dbraw/zinc/18/43/98/1069184398.db2.gz XRDNUTFZUVYVJJ-VSCPTIONSA-N 1 1 490.693 3.234 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305744745 1069184895 /nfs/dbraw/zinc/18/48/95/1069184895.db2.gz XSJAJFJPKMHUPT-TUNNFDKTSA-N 1 1 474.694 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305750759 1069196895 /nfs/dbraw/zinc/19/68/95/1069196895.db2.gz LTKZNMGBJVEGOW-UHFFFAOYSA-N 1 1 484.693 3.436 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)c1cccc(C)c1 ZINC001305755988 1069209005 /nfs/dbraw/zinc/20/90/05/1069209005.db2.gz QLBFAQQEWMZTPU-FCHUYYIVSA-N 1 1 482.673 3.467 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305758122 1069216469 /nfs/dbraw/zinc/21/64/69/1069216469.db2.gz BPHHMQDROYXQJC-LJQANCHMSA-N 1 1 483.661 3.372 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305759457 1069221490 /nfs/dbraw/zinc/22/14/90/1069221490.db2.gz RMPIDLQEKKFLNX-NRFANRHFSA-N 1 1 482.673 3.416 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305760477 1069224504 /nfs/dbraw/zinc/22/45/04/1069224504.db2.gz JJVOBPGOYNCBIH-JPYJTQIMSA-N 1 1 460.648 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001305761238 1069227169 /nfs/dbraw/zinc/22/71/69/1069227169.db2.gz JGPFNAHWOZVIAO-NRFANRHFSA-N 1 1 481.689 3.473 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305761753 1069229125 /nfs/dbraw/zinc/22/91/25/1069229125.db2.gz SLMQAFWOXBJZLS-NTKDMRAZSA-N 1 1 458.607 3.099 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305764127 1069233502 /nfs/dbraw/zinc/23/35/02/1069233502.db2.gz JOEWMRPTKNFQAR-KNQAVFIVSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@]1(O)CCSC1 ZINC001305766903 1069238301 /nfs/dbraw/zinc/23/83/01/1069238301.db2.gz AXWKZWBOHUCTOY-DFIYOIEZSA-N 1 1 492.734 3.155 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305767363 1069238733 /nfs/dbraw/zinc/23/87/33/1069238733.db2.gz OYJRTDHYUBIPMR-HSZRJFAPSA-N 1 1 482.673 3.438 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001305767875 1069239688 /nfs/dbraw/zinc/23/96/88/1069239688.db2.gz SLZJXNREDOIMEH-KOSHJBKYSA-N 1 1 457.623 3.366 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305768578 1069242151 /nfs/dbraw/zinc/24/21/51/1069242151.db2.gz CYLOEVNYXQPIOK-OAQYLSRUSA-N 1 1 485.677 3.465 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001305769421 1069244647 /nfs/dbraw/zinc/24/46/47/1069244647.db2.gz CJBXKUIRRHOEDC-GHTZIAJQSA-N 1 1 460.667 3.465 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1CC=CCO1 ZINC001305777169 1069261768 /nfs/dbraw/zinc/26/17/68/1069261768.db2.gz UUCBAJGMZIDCQF-HSZRJFAPSA-N 1 1 466.630 3.254 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccn(Cc2ccccc2)n1 ZINC001305777183 1069262292 /nfs/dbraw/zinc/26/22/92/1069262292.db2.gz VDEVJZCJXCILMV-UHFFFAOYSA-N 1 1 492.672 3.410 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305777530 1069263311 /nfs/dbraw/zinc/26/33/11/1069263311.db2.gz KQPCAQYPBIXVCQ-SJBKTWHCSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1CC[N@@H+](CC)C(C)C ZINC001305778285 1069265687 /nfs/dbraw/zinc/26/56/87/1069265687.db2.gz APCCIQUDVKMETN-UHFFFAOYSA-N 1 1 489.709 3.298 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305784700 1069281973 /nfs/dbraw/zinc/28/19/73/1069281973.db2.gz SGUXKCMUUZIARP-JOCHJYFZSA-N 1 1 482.677 3.183 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC1(c2ccccc2OC)CC1 ZINC001305785300 1069285213 /nfs/dbraw/zinc/28/52/13/1069285213.db2.gz CPWBKBYZEDEVGF-LJQANCHMSA-N 1 1 468.646 3.467 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCNC(=O)OC(C)(C)C ZINC001305785635 1069286378 /nfs/dbraw/zinc/28/63/78/1069286378.db2.gz NTQJTCFSGOYTSU-GOSISDBHSA-N 1 1 491.681 3.032 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(C)s1 ZINC001305786480 1069290778 /nfs/dbraw/zinc/29/07/78/1069290778.db2.gz VSRVOQFVRIBRRR-QGZVFWFLSA-N 1 1 474.675 3.304 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@]1(O)CCCC1(C)C ZINC001305786598 1069291237 /nfs/dbraw/zinc/29/12/37/1069291237.db2.gz WROSUFHQYQLABY-NIYFSFCBSA-N 1 1 474.694 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001305786797 1069291490 /nfs/dbraw/zinc/29/14/90/1069291490.db2.gz AJWUIVRYTHZNPQ-XMMPIXPASA-N 1 1 486.642 3.081 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1Cc1ccc(C)nc1 ZINC001305787327 1069293429 /nfs/dbraw/zinc/29/34/29/1069293429.db2.gz JWIIAFZWGZPBDG-UHFFFAOYSA-N 1 1 467.643 3.332 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1cc(F)cc(OC)c1 ZINC001305788398 1069296822 /nfs/dbraw/zinc/29/68/22/1069296822.db2.gz KPRFACHLNNKGHX-FQEVSTJZSA-N 1 1 458.582 3.067 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001305790227 1069301205 /nfs/dbraw/zinc/30/12/05/1069301205.db2.gz UGTXVFWWIAVABG-OFNKIYASSA-N 1 1 467.662 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCC3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001305791083 1069302763 /nfs/dbraw/zinc/30/27/63/1069302763.db2.gz IKMJAQQRMACIGT-FQEVSTJZSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001305791154 1069303473 /nfs/dbraw/zinc/30/34/73/1069303473.db2.gz LUJCZTVMYDTZFQ-HKUYNNGSSA-N 1 1 488.599 3.332 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305792092 1069305151 /nfs/dbraw/zinc/30/51/51/1069305151.db2.gz QMKURJYPENQNNZ-VXKWHMMOSA-N 1 1 472.609 3.398 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305792177 1069305457 /nfs/dbraw/zinc/30/54/57/1069305457.db2.gz RUVPWLSVFNSWCP-IBVKSMDESA-N 1 1 468.646 3.290 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305792711 1069307163 /nfs/dbraw/zinc/30/71/63/1069307163.db2.gz VDRYUFOSUGMPFO-HXUWFJFHSA-N 1 1 496.578 3.464 20 0 JGADMO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000009127788 562955562 /nfs/dbraw/zinc/95/55/62/562955562.db2.gz LMCPBIGLLAGUJO-LJQANCHMSA-N 1 1 491.997 3.453 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1CN1CC[C@@H](CO)C1 ZINC001164417984 718892661 /nfs/dbraw/zinc/89/26/61/718892661.db2.gz MJVHEYIMVOPXBD-AUSIDOKSSA-N 1 1 457.663 3.239 20 0 JGADMO C[NH+]1CCN(Cc2cc3nc(N4CCC5(CCCC5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421376 718894211 /nfs/dbraw/zinc/89/42/11/718894211.db2.gz PWPYPBHCFQVIQD-UHFFFAOYSA-N 1 1 470.687 3.436 20 0 JGADMO Cc1cccc(CN2C(=O)COC3(CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC3)[C@H]2C)n1 ZINC001164430449 718951835 /nfs/dbraw/zinc/95/18/35/718951835.db2.gz VLSVJYATXOFIDW-OAQYLSRUSA-N 1 1 479.625 3.045 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)CC2)C1=O ZINC001164642090 719277239 /nfs/dbraw/zinc/27/72/39/719277239.db2.gz WPISATPHTNHRIP-UHFFFAOYSA-N 1 1 467.397 3.310 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)CC2)C1=O ZINC001164642090 719277243 /nfs/dbraw/zinc/27/72/43/719277243.db2.gz WPISATPHTNHRIP-UHFFFAOYSA-N 1 1 467.397 3.310 20 0 JGADMO CC[C@H]1C(=O)Nc2cnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc2N1C1CCCC1 ZINC001164648187 719310856 /nfs/dbraw/zinc/31/08/56/719310856.db2.gz GBXJBWIKFVPWQR-NRFANRHFSA-N 1 1 466.634 3.358 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCCn4nnc(COc5cccnc5)c4C3)C2)cc1 ZINC001164655610 719327640 /nfs/dbraw/zinc/32/76/40/719327640.db2.gz RCSWBNPVHJEWJO-UHFFFAOYSA-N 1 1 468.565 3.011 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCCn4nnc(COc5cccnc5)c4C3)C2)cc1 ZINC001164655610 719327644 /nfs/dbraw/zinc/32/76/44/719327644.db2.gz RCSWBNPVHJEWJO-UHFFFAOYSA-N 1 1 468.565 3.011 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccnc(Cl)c4F)C3)C2)cc[nH+]1 ZINC001164664132 719356633 /nfs/dbraw/zinc/35/66/33/719356633.db2.gz KWCKRTJBBWCQJZ-HXUWFJFHSA-N 1 1 470.927 3.398 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc(F)c(Cl)n4)C3)C2)cc[nH+]1 ZINC001164664968 719356650 /nfs/dbraw/zinc/35/66/50/719356650.db2.gz SXUIJDXQOGOPPT-HXUWFJFHSA-N 1 1 470.927 3.398 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)C2)cc[nH+]1 ZINC001164665435 719357887 /nfs/dbraw/zinc/35/78/87/719357887.db2.gz XFKFCXYKOYZVKB-QFIPXVFZSA-N 1 1 493.990 3.143 20 0 JGADMO CNC(=O)CO[C@H]1COC2(C1)CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164678225 719554470 /nfs/dbraw/zinc/55/44/70/719554470.db2.gz WBYJREUHOUDMMF-GOSISDBHSA-N 1 1 499.681 3.056 20 0 JGADMO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc[nH]c4nc(=S)sc3-4)CC2)c2ccccc21 ZINC001164686824 719676377 /nfs/dbraw/zinc/67/63/77/719676377.db2.gz XEPWERMCYMLZPX-INIZCTEOSA-N 1 1 482.679 3.468 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)CC2 ZINC001164683659 719727568 /nfs/dbraw/zinc/72/75/68/719727568.db2.gz BQCGQZQGFBSRGG-UHFFFAOYSA-N 1 1 480.009 3.046 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)CC2 ZINC001164689377 719743133 /nfs/dbraw/zinc/74/31/33/719743133.db2.gz DEJKVNZZSYFSLY-UHFFFAOYSA-N 1 1 462.623 3.423 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3OCCN(c4ncccn4)[C@H]3C2)n1 ZINC001164693967 719801049 /nfs/dbraw/zinc/80/10/49/719801049.db2.gz WDUAGHRVQXPYGE-ROUUACIJSA-N 1 1 453.616 3.034 20 0 JGADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(S(=O)(=O)N4CCCC4)cn2)CC3)cs1 ZINC001164692714 719813734 /nfs/dbraw/zinc/81/37/34/719813734.db2.gz RENWTMIBVGAVAU-UHFFFAOYSA-N 1 1 461.657 3.266 20 0 JGADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC001164707674 719869031 /nfs/dbraw/zinc/86/90/31/719869031.db2.gz VFPNKQRYYODSNU-WXTAPIANSA-N 1 1 493.633 3.475 20 0 JGADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(F)F)nc2ccc(Cl)cc21 ZINC001164699249 719876196 /nfs/dbraw/zinc/87/61/96/719876196.db2.gz BEBKKLRCYQZYQA-SPLOXXLWSA-N 1 1 454.905 3.454 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)n1 ZINC001164704371 719884165 /nfs/dbraw/zinc/88/41/65/719884165.db2.gz VYUQRXQFDGOZRV-QYZOEREBSA-N 1 1 495.653 3.277 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@H]4C3)c2c1C ZINC001164701854 719920477 /nfs/dbraw/zinc/92/04/77/719920477.db2.gz DHFZLVLBFDYHNC-AABGKKOBSA-N 1 1 485.654 3.157 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@@H]4C3)c2c1C ZINC001164701855 719921416 /nfs/dbraw/zinc/92/14/16/719921416.db2.gz DHFZLVLBFDYHNC-AQNXPRMDSA-N 1 1 485.654 3.157 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cnccn3)C2)nc1 ZINC001164716326 720055907 /nfs/dbraw/zinc/05/59/07/720055907.db2.gz VLFWAOBONXQMBX-ITAIVJFTSA-N 1 1 464.614 3.222 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H]3CC(=O)N4c3cnn(C)c3)c2c1C ZINC001164709851 720074564 /nfs/dbraw/zinc/07/45/64/720074564.db2.gz GOSGTVJRCRKTBH-MSOLQXFVSA-N 1 1 451.600 3.022 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1cc(C)n3S(=O)(=O)c1ccccc1)C2 ZINC001164815812 720088332 /nfs/dbraw/zinc/08/83/32/720088332.db2.gz ZUWLBTFBTYEMDT-RLWLMLJZSA-N 1 1 495.649 3.161 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1cc(C)n3S(=O)(=O)c1ccccc1)C2 ZINC001164815809 720088719 /nfs/dbraw/zinc/08/87/19/720088719.db2.gz ZUWLBTFBTYEMDT-HFZDXXHNSA-N 1 1 495.649 3.161 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164710771 720095495 /nfs/dbraw/zinc/09/54/95/720095495.db2.gz MIOLZOGCQHGGTK-GOSISDBHSA-N 1 1 459.978 3.209 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164816443 720115354 /nfs/dbraw/zinc/11/53/54/720115354.db2.gz YTWCCGTXNCRHGD-YCRPNKLZSA-N 1 1 455.024 3.213 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)C2 ZINC001164814955 720118090 /nfs/dbraw/zinc/11/80/90/720118090.db2.gz USNSBCZLXIUNKA-KBMIEXCESA-N 1 1 455.603 3.163 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164715008 720156759 /nfs/dbraw/zinc/15/67/59/720156759.db2.gz RZVBVCPCUXFOGI-IEBWSBKVSA-N 1 1 474.005 3.309 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164815703 720168309 /nfs/dbraw/zinc/16/83/09/720168309.db2.gz IWTCCUCYMSJZPD-HRFSGMKKSA-N 1 1 497.709 3.197 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)C2 ZINC001164813745 720182105 /nfs/dbraw/zinc/18/21/05/720182105.db2.gz DWOWUVPJFXWXPE-HOYKHHGWSA-N 1 1 492.592 3.345 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(OC)c(OC)c3OC)nn1)C2 ZINC001164819179 720188397 /nfs/dbraw/zinc/18/83/97/720188397.db2.gz WJVVZSBXCYLCIL-NIYFSFCBSA-N 1 1 468.598 3.354 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CCC2 ZINC001164814908 720217896 /nfs/dbraw/zinc/21/78/96/720217896.db2.gz ZVJGVUCWKJBPFJ-UHFFFAOYSA-N 1 1 494.043 3.453 20 0 JGADMO COc1cc2nc(Cl)c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc2cc1OC ZINC001164812865 720223846 /nfs/dbraw/zinc/22/38/46/720223846.db2.gz JUBQUGXWKMMVGS-UHFFFAOYSA-N 1 1 472.977 3.108 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001164814108 720227131 /nfs/dbraw/zinc/22/71/31/720227131.db2.gz UILXVGOXFRSLSV-UHFFFAOYSA-N 1 1 461.010 3.024 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CCC2 ZINC001164817472 720241606 /nfs/dbraw/zinc/24/16/06/720241606.db2.gz RLCQHXRXTSDYGC-UHFFFAOYSA-N 1 1 479.919 3.137 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CCC2 ZINC001164818291 720243692 /nfs/dbraw/zinc/24/36/92/720243692.db2.gz YIQFWLFLCVPNMD-UHFFFAOYSA-N 1 1 461.994 3.498 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3Cc4ccnn4C[C@@H](C(=O)N4CCCC4)C3)c2c1C ZINC001164819122 720267143 /nfs/dbraw/zinc/26/71/43/720267143.db2.gz PQRUQQFOAVWJPT-IBGZPJMESA-N 1 1 479.654 3.359 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)C2)C1 ZINC001164721304 720285535 /nfs/dbraw/zinc/28/55/35/720285535.db2.gz JJHDOAJXPSGLSQ-AREMUKBSSA-N 1 1 481.547 3.240 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)C2)C1 ZINC001164721304 720285543 /nfs/dbraw/zinc/28/55/43/720285543.db2.gz JJHDOAJXPSGLSQ-AREMUKBSSA-N 1 1 481.547 3.240 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C2)C1 ZINC001164720750 720295760 /nfs/dbraw/zinc/29/57/60/720295760.db2.gz CWGOBNROYGUFAA-MUUNZHRXSA-N 1 1 471.605 3.475 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C2)C1 ZINC001164720750 720295765 /nfs/dbraw/zinc/29/57/65/720295765.db2.gz CWGOBNROYGUFAA-MUUNZHRXSA-N 1 1 471.605 3.475 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C2)C1 ZINC001164720949 720300036 /nfs/dbraw/zinc/30/00/36/720300036.db2.gz FWLLEBUPRKSFOZ-SANMLTNESA-N 1 1 484.044 3.341 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C2)C1 ZINC001164720949 720300038 /nfs/dbraw/zinc/30/00/38/720300038.db2.gz FWLLEBUPRKSFOZ-SANMLTNESA-N 1 1 484.044 3.341 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730992 720370332 /nfs/dbraw/zinc/37/03/32/720370332.db2.gz XRCGOHDPIRTUFQ-QZTJIDSGSA-N 1 1 463.916 3.490 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730992 720370340 /nfs/dbraw/zinc/37/03/40/720370340.db2.gz XRCGOHDPIRTUFQ-QZTJIDSGSA-N 1 1 463.916 3.490 20 0 JGADMO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc2F)C1 ZINC001164732484 720528428 /nfs/dbraw/zinc/52/84/28/720528428.db2.gz DADDFZSAWUBWPX-OAHLLOKOSA-N 1 1 478.981 3.069 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)CC[C@@H]21 ZINC001164835251 720606554 /nfs/dbraw/zinc/60/65/54/720606554.db2.gz ATZXMTYFLSNHTA-RNXOBYDBSA-N 1 1 486.668 3.378 20 0 JGADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746243 720643926 /nfs/dbraw/zinc/64/39/26/720643926.db2.gz WJUNUQIXJQJCGM-LEWJYISDSA-N 1 1 484.560 3.349 20 0 JGADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842532 720645168 /nfs/dbraw/zinc/64/51/68/720645168.db2.gz RVJHBOLQWKAHTL-RRFJBIMHSA-N 1 1 453.374 3.144 20 0 JGADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842539 720645897 /nfs/dbraw/zinc/64/58/97/720645897.db2.gz RVJHBOLQWKAHTL-SOUVJXGZSA-N 1 1 453.374 3.144 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C(=O)OCC ZINC001164843737 720649505 /nfs/dbraw/zinc/64/95/05/720649505.db2.gz XIMSFFALUUGGMX-XQBPLPMBSA-N 1 1 469.586 3.009 20 0 JGADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843351 720685919 /nfs/dbraw/zinc/68/59/19/720685919.db2.gz OJCGBJZAWMNRJE-LJQANCHMSA-N 1 1 458.990 3.496 20 0 JGADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736911 720689848 /nfs/dbraw/zinc/68/98/48/720689848.db2.gz CFPGEZRCCULAMY-TZMCWYRMSA-N 1 1 483.306 3.493 20 0 JGADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736911 720689859 /nfs/dbraw/zinc/68/98/59/720689859.db2.gz CFPGEZRCCULAMY-TZMCWYRMSA-N 1 1 483.306 3.493 20 0 JGADMO Fc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164736857 720690313 /nfs/dbraw/zinc/69/03/13/720690313.db2.gz BRKDKWRONQQEPN-KBPBESRZSA-N 1 1 450.852 3.099 20 0 JGADMO Fc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164736857 720690318 /nfs/dbraw/zinc/69/03/18/720690318.db2.gz BRKDKWRONQQEPN-KBPBESRZSA-N 1 1 450.852 3.099 20 0 JGADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843866 720691864 /nfs/dbraw/zinc/69/18/64/720691864.db2.gz RMLFAQKHMBSYGN-LJQANCHMSA-N 1 1 458.990 3.496 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840551 720700042 /nfs/dbraw/zinc/70/00/42/720700042.db2.gz GMGWAGGFADHGMP-IBGZPJMESA-N 1 1 499.015 3.303 20 0 JGADMO COC(=O)C1CCN(c2nccnc2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001164845230 720701466 /nfs/dbraw/zinc/70/14/66/720701466.db2.gz XAFQOGPECWGLPV-HSZRJFAPSA-N 1 1 479.625 3.126 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164843359 720702103 /nfs/dbraw/zinc/70/21/03/720702103.db2.gz OLKPBDBWXHTZBS-QFIPXVFZSA-N 1 1 470.639 3.126 20 0 JGADMO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1S(C)(=O)=O)CC2 ZINC001164841758 720708190 /nfs/dbraw/zinc/70/81/90/720708190.db2.gz WPZIDEOOZVNGLI-SFHVURJKSA-N 1 1 450.004 3.398 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1S(C)(=O)=O)CC2 ZINC001164841758 720708201 /nfs/dbraw/zinc/70/82/01/720708201.db2.gz WPZIDEOOZVNGLI-SFHVURJKSA-N 1 1 450.004 3.398 20 0 JGADMO COc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164744805 720759052 /nfs/dbraw/zinc/75/90/52/720759052.db2.gz SSRFTOWOAFIGDU-PKOBYXMFSA-N 1 1 460.563 3.499 20 0 JGADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164741053 720765946 /nfs/dbraw/zinc/76/59/46/720765946.db2.gz LYNHOGSCMXHTOB-UXHICEINSA-N 1 1 450.930 3.119 20 0 JGADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744216 720782916 /nfs/dbraw/zinc/78/29/16/720782916.db2.gz RPERBOFTPSCWJM-QZTJIDSGSA-N 1 1 458.900 3.474 20 0 JGADMO COc1cccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164740457 720784251 /nfs/dbraw/zinc/78/42/51/720784251.db2.gz LFZPXYJUZHMDCD-FPOVZHCZSA-N 1 1 454.534 3.437 20 0 JGADMO c1cc(N2CCCCC2)ccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164748209 720794915 /nfs/dbraw/zinc/79/49/15/720794915.db2.gz QBSDHMXZJZEDJE-GOTSBHOMSA-N 1 1 457.582 3.266 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@H]2COC[C@H]21)C1CCC1 ZINC001164851829 720803167 /nfs/dbraw/zinc/80/31/67/720803167.db2.gz ZWNQNILIGCAEAA-ZCNNSNEGSA-N 1 1 481.666 3.286 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)n1 ZINC001164844058 720803407 /nfs/dbraw/zinc/80/34/07/720803407.db2.gz ALHKIYUOBNYJHH-CEXWTWQISA-N 1 1 457.644 3.270 20 0 JGADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164751946 720803535 /nfs/dbraw/zinc/80/35/35/720803535.db2.gz YHSCPGYXRDICBX-MAUKXSAKSA-N 1 1 454.918 3.063 20 0 JGADMO COc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164752016 720806101 /nfs/dbraw/zinc/80/61/01/720806101.db2.gz YKNGISXGMRSEEH-JKSUJKDBSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164752016 720806105 /nfs/dbraw/zinc/80/61/05/720806105.db2.gz YKNGISXGMRSEEH-JKSUJKDBSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164746113 720809139 /nfs/dbraw/zinc/80/91/39/720809139.db2.gz LUQWBGYJMFQGIP-CSODHUTKSA-N 1 1 453.978 3.263 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4C(=O)N(Cc5ccncc5)C[C@@H]4C3)c2c1C ZINC001164848611 720813090 /nfs/dbraw/zinc/81/30/90/720813090.db2.gz DFMJZKUWBDJYHR-PMACEKPBSA-N 1 1 462.623 3.394 20 0 JGADMO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745473 720813184 /nfs/dbraw/zinc/81/31/84/720813184.db2.gz KPEOFWRTQXXSRB-ARFHVFGLSA-N 1 1 469.993 3.368 20 0 JGADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749251 720814054 /nfs/dbraw/zinc/81/40/54/720814054.db2.gz SOBMLDBQESAOFY-RRFJBIMHSA-N 1 1 458.344 3.299 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164742308 720814156 /nfs/dbraw/zinc/81/41/56/720814156.db2.gz CUBJWBBMWRITPP-BBTUJRGHSA-N 1 1 481.988 3.041 20 0 JGADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743285 720815456 /nfs/dbraw/zinc/81/54/56/720815456.db2.gz RUQZDHFNCUOIEK-ONBPZOJHSA-N 1 1 484.652 3.006 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745967 720816896 /nfs/dbraw/zinc/81/68/96/720816896.db2.gz XPOQXOWYJJGBAG-CEXWTWQISA-N 1 1 493.006 3.246 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1)N1CCCCC1 ZINC001164742165 720817384 /nfs/dbraw/zinc/81/73/84/720817384.db2.gz QBFVOFJEYFNMCY-BHDDXSALSA-N 1 1 484.048 3.332 20 0 JGADMO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737717 720818505 /nfs/dbraw/zinc/81/85/05/720818505.db2.gz CGOCWWZDRGOPOP-SQWLQELKSA-N 1 1 458.344 3.299 20 0 JGADMO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737716 720818805 /nfs/dbraw/zinc/81/88/05/720818805.db2.gz CGOCWWZDRGOPOP-OFQRWUPVSA-N 1 1 458.344 3.299 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742623 720826116 /nfs/dbraw/zinc/82/61/16/720826116.db2.gz QEVAJWJMIFURIE-JFIYKMOQSA-N 1 1 480.947 3.037 20 0 JGADMO FC(F)(COc1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742160 720826500 /nfs/dbraw/zinc/82/65/00/720826500.db2.gz QAQMZFPZMFDXIW-ZHALLVOQSA-N 1 1 452.937 3.173 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746114 720829368 /nfs/dbraw/zinc/82/93/68/720829368.db2.gz XZAZHWYCPZXYQB-BBTUJRGHSA-N 1 1 481.988 3.041 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2cc1OC ZINC001164739649 720830000 /nfs/dbraw/zinc/83/00/00/720830000.db2.gz HZVQOKBQGXCRBS-ABSDTBQOSA-N 1 1 484.004 3.271 20 0 JGADMO FC(F)(COc1cccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751793 720835964 /nfs/dbraw/zinc/83/59/64/720835964.db2.gz YRDFGFIISSQLMA-FGTMMUONSA-N 1 1 452.937 3.173 20 0 JGADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164744545 720837398 /nfs/dbraw/zinc/83/73/98/720837398.db2.gz KNZYVXYTJIPUJY-IMFGXOCKSA-N 1 1 484.967 3.427 20 0 JGADMO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164747372 720839564 /nfs/dbraw/zinc/83/95/64/720839564.db2.gz QJAZIVFNGINXPF-TXTKFYIRSA-N 1 1 461.570 3.248 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164741743 720843809 /nfs/dbraw/zinc/84/38/09/720843809.db2.gz FOMNOWIHZMUCOZ-ABSDTBQOSA-N 1 1 494.974 3.428 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2[nH]cnc21 ZINC001164741576 720844492 /nfs/dbraw/zinc/84/44/92/720844492.db2.gz FJDNIJBRBACKSS-NLWGTHIKSA-N 1 1 493.616 3.276 20 0 JGADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164741328 720844572 /nfs/dbraw/zinc/84/45/72/720844572.db2.gz FAUSPHZIMXHICC-HMXCVIKNSA-N 1 1 453.591 3.400 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1)C1CC1 ZINC001164746602 720844706 /nfs/dbraw/zinc/84/47/06/720844706.db2.gz PEAAOEZRUVQPPM-JLLPCOHGSA-N 1 1 464.614 3.109 20 0 JGADMO Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164747603 720852241 /nfs/dbraw/zinc/85/22/41/720852241.db2.gz IFGIFCUDSBJUQB-KGVIQGDOSA-N 1 1 451.525 3.393 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)CC[C@@H]2C1 ZINC001164858238 720855132 /nfs/dbraw/zinc/85/51/32/720855132.db2.gz RSARXYNGWHRZEY-UTKZUKDTSA-N 1 1 462.953 3.300 20 0 JGADMO CCN(C)c1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747233 720867671 /nfs/dbraw/zinc/86/76/71/720867671.db2.gz ATIPPAMBYQUZHV-ZEQKJWHPSA-N 1 1 450.631 3.391 20 0 JGADMO CCN(C)c1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747233 720867672 /nfs/dbraw/zinc/86/76/72/720867672.db2.gz ATIPPAMBYQUZHV-ZEQKJWHPSA-N 1 1 450.631 3.391 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC[C@@H]2C1 ZINC001164855483 720869212 /nfs/dbraw/zinc/86/92/12/720869212.db2.gz MYIYTLVQUQRDLQ-DNQXCXABSA-N 1 1 453.583 3.358 20 0 JGADMO Clc1nc2nc[nH]c2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753967 720870396 /nfs/dbraw/zinc/87/03/96/720870396.db2.gz QOETXMIRSWBRBC-WZONZLPQSA-N 1 1 453.978 3.156 20 0 JGADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(CN4CCOCC4)cn2)C3)c1 ZINC001164754886 720873636 /nfs/dbraw/zinc/87/36/36/720873636.db2.gz UKFPGWBZBYDGOM-IXCJQBJRSA-N 1 1 477.653 3.064 20 0 JGADMO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752902 720873726 /nfs/dbraw/zinc/87/37/26/720873726.db2.gz NJNFMFHJHJWNHS-BVAGGSTKSA-N 1 1 450.583 3.408 20 0 JGADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1 ZINC001164859339 720876295 /nfs/dbraw/zinc/87/62/95/720876295.db2.gz MTILSOOOFMICNJ-WOJBJXKFSA-N 1 1 461.676 3.323 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164859349 720876397 /nfs/dbraw/zinc/87/63/97/720876397.db2.gz MTRVIFDWTGYJAK-QUCCMNQESA-N 1 1 465.623 3.416 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(OC)ccc4n3)CC[C@@H]2C1 ZINC001164861192 720878997 /nfs/dbraw/zinc/87/89/97/720878997.db2.gz PFZDFOJTHBSMKN-RDTXWAMCSA-N 1 1 456.921 3.010 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]2C1 ZINC001164857510 720881768 /nfs/dbraw/zinc/88/17/68/720881768.db2.gz JUKRFQMDVSXTCS-NQSCKRDGSA-N 1 1 450.942 3.098 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164863061 720883110 /nfs/dbraw/zinc/88/31/10/720883110.db2.gz SMVAHCHKZPIDBI-FXAWDEMLSA-N 1 1 480.638 3.201 20 0 JGADMO Cn1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757887 720884108 /nfs/dbraw/zinc/88/41/08/720884108.db2.gz WCFRNKRUKLFJNL-CYFREDJKSA-N 1 1 468.005 3.167 20 0 JGADMO CCOC(=O)Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755341 720891111 /nfs/dbraw/zinc/89/11/11/720891111.db2.gz LAVKXARFIVUALQ-SHQCIBLASA-N 1 1 464.610 3.337 20 0 JGADMO Clc1ncc(N2CCOCC2)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758162 720891142 /nfs/dbraw/zinc/89/11/42/720891142.db2.gz XHMRSOTUHXTYTL-NVQXNPDNSA-N 1 1 499.059 3.117 20 0 JGADMO CCOC(=O)c1c(C)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755376 720891568 /nfs/dbraw/zinc/89/15/68/720891568.db2.gz LNQLUORYKYCMKL-BKMJKUGQSA-N 1 1 465.598 3.112 20 0 JGADMO O=C(NC1CC1)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753491 720893429 /nfs/dbraw/zinc/89/34/29/720893429.db2.gz HCXIYBCOYLOCIL-WNCULLNHSA-N 1 1 461.610 3.124 20 0 JGADMO COCCn1ccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757904 720893513 /nfs/dbraw/zinc/89/35/13/720893513.db2.gz WHRZWWAURURJCK-KCWPFWIISA-N 1 1 476.625 3.228 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(OC)c1 ZINC001164758772 720896704 /nfs/dbraw/zinc/89/67/04/720896704.db2.gz ZDBAZIUGUSUCDK-KCWPFWIISA-N 1 1 480.609 3.417 20 0 JGADMO Clc1[n-][nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ncnc1-2 ZINC001164755115 720896842 /nfs/dbraw/zinc/89/68/42/720896842.db2.gz KVUZJRGCLSJSJO-MBSDFSHPSA-N 1 1 453.978 3.156 20 0 JGADMO CCN(CC)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753924 720898735 /nfs/dbraw/zinc/89/87/35/720898735.db2.gz HVMLNEQLQVPYJL-BVAGGSTKSA-N 1 1 450.631 3.473 20 0 JGADMO CCCNC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750815 720909837 /nfs/dbraw/zinc/90/98/37/720909837.db2.gz KNFYURGPIJHOBJ-HOFKKMOUSA-N 1 1 463.626 3.372 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@@H](CNC(=O)c4ccno4)[C@H]3C2)nc1 ZINC001164855190 720912795 /nfs/dbraw/zinc/91/27/95/720912795.db2.gz HRJSDNMAGLHFNY-SRUXOGRHSA-N 1 1 453.587 3.278 20 0 JGADMO O=c1ccccn1Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164749136 720914267 /nfs/dbraw/zinc/91/42/67/720914267.db2.gz HXDKDDOQNJGZBH-GGXMVOPNSA-N 1 1 485.632 3.442 20 0 JGADMO O=C(NC1CCCC1)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164754973 720922888 /nfs/dbraw/zinc/92/28/88/720922888.db2.gz XOXOWMZWUZWYMF-NEKDWFFYSA-N 1 1 490.652 3.299 20 0 JGADMO CN1CCc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2C1 ZINC001164753149 720932467 /nfs/dbraw/zinc/93/24/67/720932467.db2.gz QMZTYNWXRUNPLM-LVXARBLLSA-N 1 1 483.060 3.268 20 0 JGADMO COCCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754612 720933788 /nfs/dbraw/zinc/93/37/88/720933788.db2.gz WERXGTMMEWJWPR-SQHAQQRYSA-N 1 1 480.609 3.035 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)[C@@H]2C ZINC001164857624 720946940 /nfs/dbraw/zinc/94/69/40/720946940.db2.gz GSAZHLLBPXJQOQ-GOSISDBHSA-N 1 1 479.610 3.286 20 0 JGADMO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]12 ZINC001164756381 720996780 /nfs/dbraw/zinc/99/67/80/720996780.db2.gz HOCZZDKSJXOQKK-HOJAQTOUSA-N 1 1 498.697 3.278 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)n1 ZINC001164756093 720997776 /nfs/dbraw/zinc/99/77/76/720997776.db2.gz DYMRPNGHXTUJQU-CEXWTWQISA-N 1 1 474.675 3.262 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)[C@@H]2C ZINC001164862299 721012488 /nfs/dbraw/zinc/01/24/88/721012488.db2.gz PWMMHQXCDVUDIV-OAQYLSRUSA-N 1 1 460.630 3.421 20 0 JGADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001164761286 721015124 /nfs/dbraw/zinc/01/51/24/721015124.db2.gz SKWPDJUKPOLDQQ-BAGYTPMASA-N 1 1 470.017 3.368 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866904 721060733 /nfs/dbraw/zinc/06/07/33/721060733.db2.gz GXEQOGOQGAIFLA-ROUUACIJSA-N 1 1 464.948 3.150 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164774139 721066769 /nfs/dbraw/zinc/06/67/69/721066769.db2.gz YZCZEJHVKDGMLR-SFYKDHMMSA-N 1 1 494.665 3.409 20 0 JGADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866530 721068055 /nfs/dbraw/zinc/06/80/55/721068055.db2.gz FCMLZWKKADJRIH-LEWJYISDSA-N 1 1 475.984 3.403 20 0 JGADMO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864547 721085910 /nfs/dbraw/zinc/08/59/10/721085910.db2.gz GFGAWRQMTCISEB-IPMKNSEASA-N 1 1 469.977 3.054 20 0 JGADMO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864545 721086577 /nfs/dbraw/zinc/08/65/77/721086577.db2.gz GFGAWRQMTCISEB-GUDVDZBRSA-N 1 1 469.977 3.054 20 0 JGADMO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864552 721086680 /nfs/dbraw/zinc/08/66/80/721086680.db2.gz GFGAWRQMTCISEB-QRVBRYPASA-N 1 1 469.977 3.054 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C[C@@H]3C2)cn1 ZINC001164773769 721097051 /nfs/dbraw/zinc/09/70/51/721097051.db2.gz YEYQINMXYQXRBN-RYUDHWBXSA-N 1 1 453.765 3.072 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164765315 721101101 /nfs/dbraw/zinc/10/11/01/721101101.db2.gz IXJRKAOZXVTNIZ-NHCUHLMSSA-N 1 1 464.017 3.338 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164765320 721101374 /nfs/dbraw/zinc/10/13/74/721101374.db2.gz IXJRKAOZXVTNIZ-SFTDATJTSA-N 1 1 464.017 3.338 20 0 JGADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164866355 721112024 /nfs/dbraw/zinc/11/20/24/721112024.db2.gz SOJUNAUDRZQXHO-IEBWSBKVSA-N 1 1 456.909 3.331 20 0 JGADMO O=C(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164872224 721140233 /nfs/dbraw/zinc/14/02/33/721140233.db2.gz GZLHBPBNPNXCJC-DHIUTWEWSA-N 1 1 455.562 3.159 20 0 JGADMO O=C(NC1CCCC1)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164876996 721151789 /nfs/dbraw/zinc/15/17/89/721151789.db2.gz NMFVIKIDGAZKGI-SFTDATJTSA-N 1 1 455.990 3.282 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C[C@H]3C2)cn1 ZINC001164774409 721190848 /nfs/dbraw/zinc/19/08/48/721190848.db2.gz YZRUTWSOKAIPGQ-ZWKOTPCHSA-N 1 1 459.932 3.429 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868414 721197968 /nfs/dbraw/zinc/19/79/68/721197968.db2.gz MRICSYYYBITVMV-HUUCEWRRSA-N 1 1 466.945 3.245 20 0 JGADMO Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164867027 721199460 /nfs/dbraw/zinc/19/94/60/721199460.db2.gz DNIBGPRODKOBMF-UHFFFAOYSA-N 1 1 481.604 3.125 20 0 JGADMO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164872353 721225375 /nfs/dbraw/zinc/22/53/75/721225375.db2.gz NNMZYZDNYSPBCI-NRFANRHFSA-N 1 1 481.641 3.041 20 0 JGADMO Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3C2)cn1 ZINC001164765501 721246573 /nfs/dbraw/zinc/24/65/73/721246573.db2.gz RPUNKQYSTRRVQJ-OALUTQOASA-N 1 1 462.976 3.348 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCCN(c5cnccn5)[C@H]4C3)c2c1C ZINC001164768222 721264644 /nfs/dbraw/zinc/26/46/44/721264644.db2.gz TWLZDFASELCMHA-RBUKOAKNSA-N 1 1 465.627 3.178 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC2)C1 ZINC001164869362 721270513 /nfs/dbraw/zinc/27/05/13/721270513.db2.gz LQYWJXPXRGVZTJ-UHFFFAOYSA-N 1 1 486.620 3.213 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(Cc4ccccc4)c4ccccc43)CC2)C1 ZINC001164875611 721284342 /nfs/dbraw/zinc/28/43/42/721284342.db2.gz XTMJEZSRWDZNLM-UHFFFAOYSA-N 1 1 473.621 3.228 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC2)C1 ZINC001164879197 721288475 /nfs/dbraw/zinc/28/84/75/721288475.db2.gz WXDOBHHYWMGOEL-UHFFFAOYSA-N 1 1 493.986 3.349 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC2)C1 ZINC001164879616 721288539 /nfs/dbraw/zinc/28/85/39/721288539.db2.gz XJOKASSBFVPHPN-UHFFFAOYSA-N 1 1 466.960 3.440 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC2)C1 ZINC001164874812 721289430 /nfs/dbraw/zinc/28/94/30/721289430.db2.gz CWHWHYZSEPEAGU-UHFFFAOYSA-N 1 1 467.948 3.228 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4cc(OCc5ccccc5)ccc43)CC2)C1 ZINC001164875810 721291657 /nfs/dbraw/zinc/29/16/57/721291657.db2.gz GXQBAIAKLILOOG-UHFFFAOYSA-N 1 1 489.620 3.216 20 0 JGADMO CC[C@H]1C(=O)N(C)c2cnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164771295 721295373 /nfs/dbraw/zinc/29/53/73/721295373.db2.gz ZGJRUWUGGCOZRT-MSOLQXFVSA-N 1 1 460.573 3.148 20 0 JGADMO Cc1ccc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]32)nn1 ZINC001164775713 721312360 /nfs/dbraw/zinc/31/23/60/721312360.db2.gz IQHVHBVTYKTPPF-VQTJNVASSA-N 1 1 491.665 3.358 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)nc1 ZINC001164877081 721323774 /nfs/dbraw/zinc/32/37/74/721323774.db2.gz JBFPYNYKDUGHKD-FEVSWUGISA-N 1 1 464.614 3.222 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCCC3)C2)C1 ZINC001164776226 721331965 /nfs/dbraw/zinc/33/19/65/721331965.db2.gz DGPQHPNJJHUEFT-VWLOTQADSA-N 1 1 453.587 3.041 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCCC3)C2)C1 ZINC001164776226 721331971 /nfs/dbraw/zinc/33/19/71/721331971.db2.gz DGPQHPNJJHUEFT-VWLOTQADSA-N 1 1 453.587 3.041 20 0 JGADMO COc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c(OC)c1 ZINC001164776466 721353790 /nfs/dbraw/zinc/35/37/90/721353790.db2.gz BXJPKABLPISXFT-RUZDIDTESA-N 1 1 467.570 3.371 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)N4CCCC4)ccn3)C2)C1 ZINC001164786130 721359260 /nfs/dbraw/zinc/35/92/60/721359260.db2.gz WLKQYRNRSDGWBE-VWLOTQADSA-N 1 1 453.587 3.041 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)N4CCCC4)ccn3)C2)C1 ZINC001164786130 721359265 /nfs/dbraw/zinc/35/92/65/721359265.db2.gz WLKQYRNRSDGWBE-VWLOTQADSA-N 1 1 453.587 3.041 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C2)C1 ZINC001164780717 721360508 /nfs/dbraw/zinc/36/05/08/721360508.db2.gz GRSLJUQAXYUJQS-SANMLTNESA-N 1 1 485.629 3.282 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C2)C1 ZINC001164780717 721360513 /nfs/dbraw/zinc/36/05/13/721360513.db2.gz GRSLJUQAXYUJQS-SANMLTNESA-N 1 1 485.629 3.282 20 0 JGADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780252 721361279 /nfs/dbraw/zinc/36/12/79/721361279.db2.gz DUCIKYLJMSOLNX-FGVDJBDDSA-N 1 1 479.581 3.473 20 0 JGADMO COC(=O)c1cc2c[nH]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc-2n1 ZINC001164780261 721362233 /nfs/dbraw/zinc/36/22/33/721362233.db2.gz FBTCDTWAKZZLHF-DEOSSOPVSA-N 1 1 453.543 3.073 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C2)C1 ZINC001164780631 721376657 /nfs/dbraw/zinc/37/66/57/721376657.db2.gz HMNGORMXVGINMK-FQEVSTJZSA-N 1 1 456.921 3.242 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C2)C1 ZINC001164780631 721376661 /nfs/dbraw/zinc/37/66/61/721376661.db2.gz HMNGORMXVGINMK-FQEVSTJZSA-N 1 1 456.921 3.242 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cnc(Cl)cn3)C2)C1 ZINC001164786989 721376997 /nfs/dbraw/zinc/37/69/97/721376997.db2.gz WMFRTUHKGKESDE-LJQANCHMSA-N 1 1 457.909 3.279 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cnc(Cl)cn3)C2)C1 ZINC001164786989 721377000 /nfs/dbraw/zinc/37/70/00/721377000.db2.gz WMFRTUHKGKESDE-LJQANCHMSA-N 1 1 457.909 3.279 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C3)O2)CC1 ZINC001164884354 721384248 /nfs/dbraw/zinc/38/42/48/721384248.db2.gz AJRJYRLSFDHSSD-KSSFIOAISA-N 1 1 450.361 3.094 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164883967 721407564 /nfs/dbraw/zinc/40/75/64/721407564.db2.gz CTUQUBBNPNAXDZ-AVRWGWEMSA-N 1 1 488.032 3.225 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883977 721407832 /nfs/dbraw/zinc/40/78/32/721407832.db2.gz CTUQUBBNPNAXDZ-IQGLISFBSA-N 1 1 488.032 3.225 20 0 JGADMO O=C(c1cccnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164780593 721417716 /nfs/dbraw/zinc/41/77/16/721417716.db2.gz BMEJXTCKDFFGLO-DHIUTWEWSA-N 1 1 488.661 3.064 20 0 JGADMO O=C(c1cccnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164780594 721417720 /nfs/dbraw/zinc/41/77/20/721417720.db2.gz BMEJXTCKDFFGLO-GOTSBHOMSA-N 1 1 488.661 3.064 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781772 721420123 /nfs/dbraw/zinc/42/01/23/721420123.db2.gz DZUXBWJSTZWKKZ-HZPDHXFCSA-N 1 1 459.616 3.382 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)[nH]c(C)c(C)c-2n1 ZINC001164888325 721420590 /nfs/dbraw/zinc/42/05/90/721420590.db2.gz OESQVLBDHCYARH-RXFWQSSRSA-N 1 1 469.630 3.122 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164887250 721422936 /nfs/dbraw/zinc/42/29/36/721422936.db2.gz LQGZKBLEDDSEAN-CVDCTZTESA-N 1 1 476.984 3.222 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164899500 721426065 /nfs/dbraw/zinc/42/60/65/721426065.db2.gz YSGCOGJCJMDBKE-DHLKQENFSA-N 1 1 456.034 3.486 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164891775 721428501 /nfs/dbraw/zinc/42/85/01/721428501.db2.gz HJFUKKPTUOUZFE-HNAYVOBHSA-N 1 1 464.388 3.180 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164892190 721430159 /nfs/dbraw/zinc/43/01/59/721430159.db2.gz HRJPYIFUOWBPQJ-VGOFRKELSA-N 1 1 486.991 3.222 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C3)O2)CC1 ZINC001164898206 721430861 /nfs/dbraw/zinc/43/08/61/721430861.db2.gz VMQJTRFXAOLKEB-AVRWGWEMSA-N 1 1 485.633 3.070 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C3)O2)CC1 ZINC001164898215 721430898 /nfs/dbraw/zinc/43/08/98/721430898.db2.gz VMQJTRFXAOLKEB-BVZFJXPGSA-N 1 1 485.633 3.070 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(Cl)nccc54)C3)O2)CC1 ZINC001164893760 721431624 /nfs/dbraw/zinc/43/16/24/721431624.db2.gz KISDQPMATQSXFB-VFNWGFHPSA-N 1 1 451.402 3.097 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164783412 721433494 /nfs/dbraw/zinc/43/34/94/721433494.db2.gz INGLMXFVLSKLHR-HZPDHXFCSA-N 1 1 453.568 3.194 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5cccnc5)nc5ccccc54)C3)O2)CC1 ZINC001164898648 721433521 /nfs/dbraw/zinc/43/35/21/721433521.db2.gz WILCMVGVDRUJEO-AMGIVPHBSA-N 1 1 458.610 3.457 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5cccnc5)nc5ccccc54)C3)O2)CC1 ZINC001164898651 721433551 /nfs/dbraw/zinc/43/35/51/721433551.db2.gz WILCMVGVDRUJEO-CUNXSJBXSA-N 1 1 458.610 3.457 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)O2)CC1 ZINC001164898316 721436631 /nfs/dbraw/zinc/43/66/31/721436631.db2.gz VQOFZPKNOKWORI-DYESRHJHSA-N 1 1 455.981 3.318 20 0 JGADMO CCN(c1ccccc1)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncn1 ZINC001164897869 721443493 /nfs/dbraw/zinc/44/34/93/721443493.db2.gz VBEJJEZJMIBUSA-OZXSUGGESA-N 1 1 450.631 3.400 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)C3)O2)CC1 ZINC001164894915 721444300 /nfs/dbraw/zinc/44/43/00/721444300.db2.gz NFJOXUCFBKGRKI-UWJYYQICSA-N 1 1 482.963 3.095 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1Cl)CC2 ZINC001164788589 721448335 /nfs/dbraw/zinc/44/83/35/721448335.db2.gz RPNZWTFQHVLYTK-IBGZPJMESA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164788671 721450162 /nfs/dbraw/zinc/45/01/62/721450162.db2.gz SJYPVEBQXWPBQX-GOSISDBHSA-N 1 1 451.995 3.256 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164790556 721450404 /nfs/dbraw/zinc/45/04/04/721450404.db2.gz ZEBHULYCXGRLDV-GOSISDBHSA-N 1 1 467.010 3.041 20 0 JGADMO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788731 721451273 /nfs/dbraw/zinc/45/12/73/721451273.db2.gz TVOONRLGJJATCJ-YVSHKSEASA-N 1 1 457.615 3.392 20 0 JGADMO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788729 721451464 /nfs/dbraw/zinc/45/14/64/721451464.db2.gz TVOONRLGJJATCJ-UFTUAFODSA-N 1 1 457.615 3.392 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(Cl)(Cl)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164888982 721452868 /nfs/dbraw/zinc/45/28/68/721452868.db2.gz MWLUVHHTAKIBKP-HKUYNNGSSA-N 1 1 463.837 3.464 20 0 JGADMO CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885514 721453114 /nfs/dbraw/zinc/45/31/14/721453114.db2.gz FBPXRUJSAHAWQQ-QPPBQGQZSA-N 1 1 496.046 3.422 20 0 JGADMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1 ZINC001164889040 721458547 /nfs/dbraw/zinc/45/85/47/721458547.db2.gz NEDGOXRQGYEYGA-AQNXPRMDSA-N 1 1 481.666 3.428 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164790044 721460009 /nfs/dbraw/zinc/46/00/09/721460009.db2.gz ZFULCHFDGXRZEF-JOCHJYFZSA-N 1 1 458.647 3.344 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164782836 721463380 /nfs/dbraw/zinc/46/33/80/721463380.db2.gz CUWHIEROIOQPDW-QFIPXVFZSA-N 1 1 458.647 3.344 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1/C=C/C(=O)OC)CC2 ZINC001164784666 721463978 /nfs/dbraw/zinc/46/39/78/721463978.db2.gz JHCYRWFJMHMCBX-YQTDCCHMSA-N 1 1 457.615 3.310 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)nc1 ZINC001164894630 721471312 /nfs/dbraw/zinc/47/13/12/721471312.db2.gz PKUFRONAXWFSIX-NRFANRHFSA-N 1 1 476.581 3.119 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(OC)nc(Cl)n1)CC2 ZINC001164787145 721474160 /nfs/dbraw/zinc/47/41/60/721474160.db2.gz CQFRRPNLKANAHC-QGZVFWFLSA-N 1 1 474.980 3.417 20 0 JGADMO O=C([C@@H]1CCO[C@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]12)N1CCCO1 ZINC001164792701 721480168 /nfs/dbraw/zinc/48/01/68/721480168.db2.gz OSPNOYBQJUNBIG-OYRHQHFDSA-N 1 1 462.594 3.035 20 0 JGADMO Fc1cccnc1OC[C@]12COC[C@@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164791048 721486406 /nfs/dbraw/zinc/48/64/06/721486406.db2.gz AKZKMRVGQXWOAU-FNZWTVRRSA-N 1 1 461.541 3.101 20 0 JGADMO Fc1cccnc1OC[C@]12COC[C@@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164791048 721486409 /nfs/dbraw/zinc/48/64/09/721486409.db2.gz AKZKMRVGQXWOAU-FNZWTVRRSA-N 1 1 461.541 3.101 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cc2C1 ZINC001164795726 721500959 /nfs/dbraw/zinc/50/09/59/721500959.db2.gz KYTCHEVULNPWGB-UHFFFAOYSA-N 1 1 450.587 3.267 20 0 JGADMO O=C1NC2(C[C@H]1c1ccncc1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164897464 721503672 /nfs/dbraw/zinc/50/36/72/721503672.db2.gz MAHXTGFNCJWOQI-QHCPKHFHSA-N 1 1 454.578 3.073 20 0 JGADMO O=C1NC2(C[C@H]1c1ccncc1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164897464 721503683 /nfs/dbraw/zinc/50/36/83/721503683.db2.gz MAHXTGFNCJWOQI-QHCPKHFHSA-N 1 1 454.578 3.073 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164900265 721512923 /nfs/dbraw/zinc/51/29/23/721512923.db2.gz PGIWVLNQZIJBOU-HOCLYGCPSA-N 1 1 470.879 3.333 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c21 ZINC001164795345 721526570 /nfs/dbraw/zinc/52/65/70/721526570.db2.gz NGJAIFMYHNTUIS-DPLHUUCSSA-N 1 1 486.576 3.322 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c21 ZINC001164795345 721526571 /nfs/dbraw/zinc/52/65/71/721526571.db2.gz NGJAIFMYHNTUIS-DPLHUUCSSA-N 1 1 486.576 3.322 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1Cl ZINC001164800665 721529226 /nfs/dbraw/zinc/52/92/26/721529226.db2.gz DAUFSHBPVWIEDB-OKZBNKHCSA-N 1 1 481.931 3.115 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1Cl ZINC001164800665 721529230 /nfs/dbraw/zinc/52/92/30/721529230.db2.gz DAUFSHBPVWIEDB-OKZBNKHCSA-N 1 1 481.931 3.115 20 0 JGADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912318 721534831 /nfs/dbraw/zinc/53/48/31/721534831.db2.gz YVOMXZGUFHKOSL-QUCCMNQESA-N 1 1 467.545 3.459 20 0 JGADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912319 721535392 /nfs/dbraw/zinc/53/53/92/721535392.db2.gz YVOMXZGUFHKOSL-UYAOXDASSA-N 1 1 467.545 3.459 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CC[N@H+]3C2)c1 ZINC001164903072 721541311 /nfs/dbraw/zinc/54/13/11/721541311.db2.gz BZTAQFABVHXUOR-TZIWHRDSSA-N 1 1 462.504 3.495 20 0 JGADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164911556 721551306 /nfs/dbraw/zinc/55/13/06/721551306.db2.gz XJPOSWYGVKNYJH-IFMALSPDSA-N 1 1 493.564 3.149 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164904185 721555959 /nfs/dbraw/zinc/55/59/59/721555959.db2.gz DGHCATDFOXCCCD-DSKINZAPSA-N 1 1 462.591 3.030 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164803953 721560736 /nfs/dbraw/zinc/56/07/36/721560736.db2.gz JZIBOLNRDKYNLE-FUHIMQAGSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164803953 721560738 /nfs/dbraw/zinc/56/07/38/721560738.db2.gz JZIBOLNRDKYNLE-FUHIMQAGSA-N 1 1 466.916 3.330 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807260 721561040 /nfs/dbraw/zinc/56/10/40/721561040.db2.gz SAMIQAYITQMSRO-VKJFTORMSA-N 1 1 466.369 3.223 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807260 721561045 /nfs/dbraw/zinc/56/10/45/721561045.db2.gz SAMIQAYITQMSRO-VKJFTORMSA-N 1 1 466.369 3.223 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808877 721569067 /nfs/dbraw/zinc/56/90/67/721569067.db2.gz WBOSBNSSGMEWCW-SDHOMARFSA-N 1 1 474.609 3.279 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808877 721569069 /nfs/dbraw/zinc/56/90/69/721569069.db2.gz WBOSBNSSGMEWCW-SDHOMARFSA-N 1 1 474.609 3.279 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1)C1CC1 ZINC001164807301 721574709 /nfs/dbraw/zinc/57/47/09/721574709.db2.gz SOBCNJPEGVTGFZ-LNEBKTTKSA-N 1 1 450.583 3.402 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164803404 721579051 /nfs/dbraw/zinc/57/90/51/721579051.db2.gz HZAQTQCLKVDOGK-OARDWFSCSA-N 1 1 485.636 3.066 20 0 JGADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@]5(CCCN(c6cnccn6)C5)C4)ccc3C2)cc1 ZINC001164902248 721579624 /nfs/dbraw/zinc/57/96/24/721579624.db2.gz DSIIWRQHAIBRDI-HHHXNRCGSA-N 1 1 456.594 3.306 20 0 JGADMO COC(=O)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c2ccccc2c1OC ZINC001164807676 721585166 /nfs/dbraw/zinc/58/51/66/721585166.db2.gz PHFBJPSHMDIELV-ZFGGDYGUSA-N 1 1 462.550 3.293 20 0 JGADMO COC(=O)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c2ccccc2c1OC ZINC001164807672 721585428 /nfs/dbraw/zinc/58/54/28/721585428.db2.gz PHFBJPSHMDIELV-AWRGLXIESA-N 1 1 462.550 3.293 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)c(OC)c1OC ZINC001164805089 721586464 /nfs/dbraw/zinc/58/64/64/721586464.db2.gz KOVHRRGUCLKTIH-UFPGJGBJSA-N 1 1 491.592 3.433 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)c(OC)c1OC ZINC001164805089 721586466 /nfs/dbraw/zinc/58/64/66/721586466.db2.gz KOVHRRGUCLKTIH-UFPGJGBJSA-N 1 1 491.592 3.433 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)cc1 ZINC001164809459 721587972 /nfs/dbraw/zinc/58/79/72/721587972.db2.gz SEEILWZRWUUBAZ-USZFVNFHSA-N 1 1 474.609 3.385 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)cc1 ZINC001164809459 721587975 /nfs/dbraw/zinc/58/79/75/721587975.db2.gz SEEILWZRWUUBAZ-USZFVNFHSA-N 1 1 474.609 3.385 20 0 JGADMO COc1cccc(CN2C[C@H]3CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164801492 721592872 /nfs/dbraw/zinc/59/28/72/721592872.db2.gz FBKWATBWRVHJHI-ZJSXRUAMSA-N 1 1 470.639 3.115 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)n1 ZINC001164803549 721596488 /nfs/dbraw/zinc/59/64/88/721596488.db2.gz WUHRNXCZDDMMBR-ACRUOGEOSA-N 1 1 493.633 3.015 20 0 JGADMO Cc1cccc(CN2CCO[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[C@@H]3C2=O)n1 ZINC001164798285 721602601 /nfs/dbraw/zinc/60/26/01/721602601.db2.gz FKSWVQTYLREWHJ-VXKWHMMOSA-N 1 1 470.017 3.288 20 0 JGADMO FC1(F)CCN(c2nc(Cl)cc(O[C@@H]3CCOC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911738 721737470 /nfs/dbraw/zinc/73/74/70/721737470.db2.gz KAQWQRBKTHVOMW-UTKZUKDTSA-N 1 1 465.932 3.430 20 0 JGADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2C1 ZINC001164913159 721738759 /nfs/dbraw/zinc/73/87/59/721738759.db2.gz UQKRCGPJRLXJSI-KOSHJBKYSA-N 1 1 471.552 3.277 20 0 JGADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001165010533 721744123 /nfs/dbraw/zinc/74/41/23/721744123.db2.gz OFRYWHPPIIHCEA-UHFFFAOYSA-N 1 1 464.948 3.260 20 0 JGADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(-c3ccco3)nnc2Cl)CC1 ZINC001165009582 721746378 /nfs/dbraw/zinc/74/63/78/721746378.db2.gz GIHCPOOKFZCKPP-UHFFFAOYSA-N 1 1 453.921 3.458 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)nc1 ZINC001165013759 721760125 /nfs/dbraw/zinc/76/01/25/721760125.db2.gz RZWOXSOHYADLPQ-HSZRJFAPSA-N 1 1 464.614 3.320 20 0 JGADMO Clc1ccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164911987 721768643 /nfs/dbraw/zinc/76/86/43/721768643.db2.gz JAHLQNXAUZBSAR-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164911987 721768645 /nfs/dbraw/zinc/76/86/45/721768645.db2.gz JAHLQNXAUZBSAR-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO CC(C)(C)c1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2s1 ZINC001164912921 721775224 /nfs/dbraw/zinc/77/52/24/721775224.db2.gz RWDBGLNPRZQLJW-DEOSSOPVSA-N 1 1 453.612 3.492 20 0 JGADMO CC(C)(C)c1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2s1 ZINC001164912921 721775225 /nfs/dbraw/zinc/77/52/25/721775225.db2.gz RWDBGLNPRZQLJW-DEOSSOPVSA-N 1 1 453.612 3.492 20 0 JGADMO Clc1cccc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912620 721779794 /nfs/dbraw/zinc/77/97/94/721779794.db2.gz NEXUYXGPSDIQST-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cccc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912620 721779799 /nfs/dbraw/zinc/77/97/99/721779799.db2.gz NEXUYXGPSDIQST-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO C[C@@H]1CCc2c(sc3ncnc(N4CCO[C@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c23)C1 ZINC001164916989 721781620 /nfs/dbraw/zinc/78/16/20/721781620.db2.gz UTGDDELGDORNDZ-IQGLISFBSA-N 1 1 465.623 3.319 20 0 JGADMO C[C@@H]1CCc2c(sc3ncnc(N4CCO[C@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c23)C1 ZINC001164916989 721781621 /nfs/dbraw/zinc/78/16/21/721781621.db2.gz UTGDDELGDORNDZ-IQGLISFBSA-N 1 1 465.623 3.319 20 0 JGADMO COc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2cc(Cl)ccc12 ZINC001164916700 721783493 /nfs/dbraw/zinc/78/34/93/721783493.db2.gz SPAFSPQAQLGYFC-DEOSSOPVSA-N 1 1 454.958 3.400 20 0 JGADMO COc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2cc(Cl)ccc12 ZINC001164916700 721783495 /nfs/dbraw/zinc/78/34/95/721783495.db2.gz SPAFSPQAQLGYFC-DEOSSOPVSA-N 1 1 454.958 3.400 20 0 JGADMO Clc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1Cl ZINC001164916590 721790277 /nfs/dbraw/zinc/79/02/77/721790277.db2.gz QZBBKMUALXQZCX-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1Cl ZINC001164916590 721790279 /nfs/dbraw/zinc/79/02/79/721790279.db2.gz QZBBKMUALXQZCX-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@H]3C2)nc1 ZINC001165027246 721796856 /nfs/dbraw/zinc/79/68/56/721796856.db2.gz UVRTXDXZEOLVLZ-TZRRMPRUSA-N 1 1 450.583 3.253 20 0 JGADMO Clc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(-c2ccccc2)n1 ZINC001164915750 721797026 /nfs/dbraw/zinc/79/70/26/721797026.db2.gz ZFQUZLVTQGIVHL-DEOSSOPVSA-N 1 1 451.958 3.300 20 0 JGADMO Clc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(-c2ccccc2)n1 ZINC001164915750 721797028 /nfs/dbraw/zinc/79/70/28/721797028.db2.gz ZFQUZLVTQGIVHL-DEOSSOPVSA-N 1 1 451.958 3.300 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@H]3C2)nc1 ZINC001165027244 721797094 /nfs/dbraw/zinc/79/70/94/721797094.db2.gz UVRTXDXZEOLVLZ-SGNDLWITSA-N 1 1 450.583 3.253 20 0 JGADMO Clc1ccc2c(Cl)nnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164915303 721798213 /nfs/dbraw/zinc/79/82/13/721798213.db2.gz VZECGDRYHZWBBO-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2c(Cl)nnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164915303 721798216 /nfs/dbraw/zinc/79/82/16/721798216.db2.gz VZECGDRYHZWBBO-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Fc1ccc2nc(C(F)F)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164913759 721798914 /nfs/dbraw/zinc/79/89/14/721798914.db2.gz GWKVPLXARVEGJR-QHCPKHFHSA-N 1 1 459.472 3.209 20 0 JGADMO Fc1ccc2nc(C(F)F)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164913759 721798916 /nfs/dbraw/zinc/79/89/16/721798916.db2.gz GWKVPLXARVEGJR-QHCPKHFHSA-N 1 1 459.472 3.209 20 0 JGADMO c1cc2c(nc(-c3ccncc3)nc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001164913417 721799499 /nfs/dbraw/zinc/79/94/99/721799499.db2.gz CVPJGVYFCAERPX-VWLOTQADSA-N 1 1 474.590 3.256 20 0 JGADMO c1cc2c(nc(-c3ccncc3)nc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)s1 ZINC001164913417 721799500 /nfs/dbraw/zinc/79/95/00/721799500.db2.gz CVPJGVYFCAERPX-VWLOTQADSA-N 1 1 474.590 3.256 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)C[C@@H]21 ZINC001165020363 721806844 /nfs/dbraw/zinc/80/68/44/721806844.db2.gz FGOVSPYODYERDD-YZGWKJHDSA-N 1 1 465.627 3.055 20 0 JGADMO COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001165020785 721823027 /nfs/dbraw/zinc/82/30/27/721823027.db2.gz DUFVIYRRWGMEOU-BVSLBCMMSA-N 1 1 451.619 3.393 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@H]21 ZINC001165021481 721823045 /nfs/dbraw/zinc/82/30/45/721823045.db2.gz FUFXNEWKZDYECF-MDNUFGMLSA-N 1 1 462.646 3.204 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@H]21 ZINC001165030158 721823912 /nfs/dbraw/zinc/82/39/12/721823912.db2.gz YBQVNARXBURQSO-TUACAJSNSA-N 1 1 469.655 3.388 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@H]21 ZINC001165030155 721823977 /nfs/dbraw/zinc/82/39/77/721823977.db2.gz YBQVNARXBURQSO-AGILITTLSA-N 1 1 469.655 3.388 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc2C1 ZINC001165027698 721824262 /nfs/dbraw/zinc/82/42/62/721824262.db2.gz TUCFGORMIOGACD-ZEYPLWLESA-N 1 1 450.587 3.123 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC001165029571 721827221 /nfs/dbraw/zinc/82/72/21/721827221.db2.gz XFQPYWPUZKMGQC-AKIFATBCSA-N 1 1 469.655 3.388 20 0 JGADMO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)CCO3)C2)cs1 ZINC001164924549 721829043 /nfs/dbraw/zinc/82/90/43/721829043.db2.gz WYEVKBFRFMUXBU-AREMUKBSSA-N 1 1 490.633 3.352 20 0 JGADMO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164926258 721835881 /nfs/dbraw/zinc/83/58/81/721835881.db2.gz RGVLEJTWFIAXRP-AJTFRIOCSA-N 1 1 471.609 3.089 20 0 JGADMO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164926258 721835882 /nfs/dbraw/zinc/83/58/82/721835882.db2.gz RGVLEJTWFIAXRP-AJTFRIOCSA-N 1 1 471.609 3.089 20 0 JGADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923422 721852183 /nfs/dbraw/zinc/85/21/83/721852183.db2.gz AKQVSYPSPHPSKC-JWQCQUIFSA-N 1 1 486.599 3.242 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923422 721852184 /nfs/dbraw/zinc/85/21/84/721852184.db2.gz AKQVSYPSPHPSKC-JWQCQUIFSA-N 1 1 486.599 3.242 20 0 JGADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923668 721870226 /nfs/dbraw/zinc/87/02/26/721870226.db2.gz JVWAEHIQSPVVOA-ROUUACIJSA-N 1 1 451.999 3.080 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923668 721870228 /nfs/dbraw/zinc/87/02/28/721870228.db2.gz JVWAEHIQSPVVOA-ROUUACIJSA-N 1 1 451.999 3.080 20 0 JGADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923669 721870450 /nfs/dbraw/zinc/87/04/50/721870450.db2.gz JVWAEHIQSPVVOA-ZWKOTPCHSA-N 1 1 451.999 3.080 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923669 721870452 /nfs/dbraw/zinc/87/04/52/721870452.db2.gz JVWAEHIQSPVVOA-ZWKOTPCHSA-N 1 1 451.999 3.080 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164934625 721878815 /nfs/dbraw/zinc/87/88/15/721878815.db2.gz STIOTMNRXAKANL-PMACEKPBSA-N 1 1 454.688 3.381 20 0 JGADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164934625 721878816 /nfs/dbraw/zinc/87/88/16/721878816.db2.gz STIOTMNRXAKANL-PMACEKPBSA-N 1 1 454.688 3.381 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164930878 721878916 /nfs/dbraw/zinc/87/89/16/721878916.db2.gz DGJXLXSJDAXKNK-GOTSBHOMSA-N 1 1 492.693 3.405 20 0 JGADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164930878 721878917 /nfs/dbraw/zinc/87/89/17/721878917.db2.gz DGJXLXSJDAXKNK-GOTSBHOMSA-N 1 1 492.693 3.405 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)c2c1C ZINC001164937651 721918566 /nfs/dbraw/zinc/91/85/66/721918566.db2.gz FWHJGWRLORLCFN-FNZWTVRRSA-N 1 1 499.681 3.281 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)c2c1C ZINC001164937652 721918672 /nfs/dbraw/zinc/91/86/72/721918672.db2.gz FWHJGWRLORLCFN-FQRUVTKNSA-N 1 1 499.681 3.281 20 0 JGADMO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165042694 721924300 /nfs/dbraw/zinc/92/43/00/721924300.db2.gz FTZCXJYLIPMOSY-SFHVURJKSA-N 1 1 454.905 3.435 20 0 JGADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nn2)C1 ZINC001164940737 721930994 /nfs/dbraw/zinc/93/09/94/721930994.db2.gz ZMPFYCMEKZPIOC-DEOSSOPVSA-N 1 1 493.652 3.436 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940094 721931121 /nfs/dbraw/zinc/93/11/21/721931121.db2.gz QFBDJALPYPIRNT-UHFFFAOYSA-N 1 1 472.655 3.292 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](CCOc4ccccc4)CC3)nc2N1C1CCCC1 ZINC001165043900 721956400 /nfs/dbraw/zinc/95/64/00/721956400.db2.gz GQGQTRZNFBVSTR-JOCHJYFZSA-N 1 1 464.614 3.182 20 0 JGADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC001165045578 721960976 /nfs/dbraw/zinc/96/09/76/721960976.db2.gz ZPIYOJAPHBTENH-UHFFFAOYSA-N 1 1 474.533 3.362 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c21 ZINC001164942516 721968753 /nfs/dbraw/zinc/96/87/53/721968753.db2.gz COJWYDBSBTUCPG-UHFFFAOYSA-N 1 1 498.587 3.030 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c21 ZINC001164942516 721968754 /nfs/dbraw/zinc/96/87/54/721968754.db2.gz COJWYDBSBTUCPG-UHFFFAOYSA-N 1 1 498.587 3.030 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943798 721973265 /nfs/dbraw/zinc/97/32/65/721973265.db2.gz FMKHEGPCRYNRHI-UHFFFAOYSA-N 1 1 493.995 3.431 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943798 721973266 /nfs/dbraw/zinc/97/32/66/721973266.db2.gz FMKHEGPCRYNRHI-UHFFFAOYSA-N 1 1 493.995 3.431 20 0 JGADMO O=C1COC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)CN1Cc1cccnc1 ZINC001164952723 722002401 /nfs/dbraw/zinc/00/24/01/722002401.db2.gz UDLVONAWNKVAJR-UHFFFAOYSA-N 1 1 483.616 3.433 20 0 JGADMO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)CC1 ZINC001164956236 722019312 /nfs/dbraw/zinc/01/93/12/722019312.db2.gz ZOSYKTILTGEJCI-UHFFFAOYSA-N 1 1 464.614 3.144 20 0 JGADMO CC(=O)Oc1cc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2cc1OC(C)=O ZINC001164955625 722019732 /nfs/dbraw/zinc/01/97/32/722019732.db2.gz KUQUZVIEPVMSHN-UHFFFAOYSA-N 1 1 475.549 3.368 20 0 JGADMO O=S(=O)(c1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)N1CCCCC1 ZINC001164965081 722023593 /nfs/dbraw/zinc/02/35/93/722023593.db2.gz ZRTHOXQGPXRMJW-UHFFFAOYSA-N 1 1 455.628 3.144 20 0 JGADMO CC(C)(C)OC(=O)Nc1nccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964199 722054866 /nfs/dbraw/zinc/05/48/66/722054866.db2.gz SZDRFEOESRGJTL-UHFFFAOYSA-N 1 1 454.575 3.338 20 0 JGADMO COC(=O)c1c(Cl)cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1OC ZINC001164960725 722058800 /nfs/dbraw/zinc/05/88/00/722058800.db2.gz JJGNZKMWMYJYEC-UHFFFAOYSA-N 1 1 460.962 3.044 20 0 JGADMO Fc1ccccc1-c1nc2ccn(Cc3ccc(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)nn3)cc-2n1 ZINC001164965240 722068671 /nfs/dbraw/zinc/06/86/71/722068671.db2.gz GOLJRXPOOOXLFD-OYRHEFFESA-N 1 1 485.567 3.327 20 0 JGADMO CC(=O)N1CCC[C@@]2(C1)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CCO2 ZINC001164969271 722083800 /nfs/dbraw/zinc/08/38/00/722083800.db2.gz LXNKLEVZOYUOCR-RUZDIDTESA-N 1 1 469.655 3.384 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4c(Cn5cccn5)nnc4C3)c2c1C ZINC001164977615 722089136 /nfs/dbraw/zinc/08/91/36/722089136.db2.gz VALJWJVAKOUWGV-UHFFFAOYSA-N 1 1 463.615 3.151 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C(=O)N(c6cnn(C)c6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164983516 722095440 /nfs/dbraw/zinc/09/54/40/722095440.db2.gz TVKKMUDTGUAKQN-PXNSSMCTSA-N 1 1 491.665 3.245 20 0 JGADMO Cn1cc(N2C[C@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]3C2=O)cn1 ZINC001164984441 722096083 /nfs/dbraw/zinc/09/60/83/722096083.db2.gz WDRTWZQTNSTYIO-IEBWSBKVSA-N 1 1 473.606 3.253 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164972609 722109245 /nfs/dbraw/zinc/10/92/45/722109245.db2.gz GDBHROVLSOBUPF-VQIMIIECSA-N 1 1 466.916 3.189 20 0 JGADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971891 722124910 /nfs/dbraw/zinc/12/49/10/722124910.db2.gz DCDPEDQXYPPSCR-ICSRJNTNSA-N 1 1 458.006 3.386 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983667 722125029 /nfs/dbraw/zinc/12/50/29/722125029.db2.gz YXLPLNORPHHPEQ-WMZOPIPTSA-N 1 1 466.916 3.189 20 0 JGADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971890 722125353 /nfs/dbraw/zinc/12/53/53/722125353.db2.gz DCDPEDQXYPPSCR-AZUAARDMSA-N 1 1 458.006 3.386 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974397 722132336 /nfs/dbraw/zinc/13/23/36/722132336.db2.gz DQJRLEVLJUHMLU-RDGATRHJSA-N 1 1 474.609 3.138 20 0 JGADMO COC(=O)c1cc2c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164980305 722132843 /nfs/dbraw/zinc/13/28/43/722132843.db2.gz MQSAXXMBHMPXHG-OXJNMPFZSA-N 1 1 455.946 3.125 20 0 JGADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984217 722135907 /nfs/dbraw/zinc/13/59/07/722135907.db2.gz WMFYOQBAWSHPRY-QFBILLFUSA-N 1 1 460.916 3.345 20 0 JGADMO O=C(c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCc2ccccc21 ZINC001164978077 722139931 /nfs/dbraw/zinc/13/99/31/722139931.db2.gz JOVVSQOXFCFODX-JYFHCDHNSA-N 1 1 469.589 3.407 20 0 JGADMO O=C(c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164975102 722143774 /nfs/dbraw/zinc/14/37/74/722143774.db2.gz DVQHDCKLTIEBQS-NFBKMPQASA-N 1 1 470.017 3.483 20 0 JGADMO COC(=O)c1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc2c1OC ZINC001164976008 722148969 /nfs/dbraw/zinc/14/89/69/722148969.db2.gz GFSMCYXVHUAWQX-SIKLNZKXSA-N 1 1 462.550 3.152 20 0 JGADMO Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164981587 722151101 /nfs/dbraw/zinc/15/11/01/722151101.db2.gz PJSQPKDUDRQXRV-GOTSBHOMSA-N 1 1 458.566 3.160 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972458 722153899 /nfs/dbraw/zinc/15/38/99/722153899.db2.gz HVPGDTJXFDXWOA-PKOBYXMFSA-N 1 1 481.931 3.494 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971288 722158899 /nfs/dbraw/zinc/15/88/99/722158899.db2.gz BOXVVNDBWRHWCU-HOTGVXAUSA-N 1 1 480.972 3.493 20 0 JGADMO CN1c2ccccc2[C@@]2(CCN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@H](CO)C3)C2)C1=O ZINC001164977638 722162518 /nfs/dbraw/zinc/16/25/18/722162518.db2.gz GJBFGJRJUCRMCK-VKGTZQKMSA-N 1 1 491.636 3.005 20 0 JGADMO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC[C@@H]32)cs1 ZINC001164991739 722186272 /nfs/dbraw/zinc/18/62/72/722186272.db2.gz UPAHVSWPZLVOBG-XZOQPEGZSA-N 1 1 457.644 3.189 20 0 JGADMO COC(=O)C1CCN(c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164997226 722203672 /nfs/dbraw/zinc/20/36/72/722203672.db2.gz XILBWIJFPZFXIP-VWLOTQADSA-N 1 1 453.562 3.250 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(F)ccc2Oc2ccc(Cl)nn2)CC3)CC1 ZINC001165001097 722237277 /nfs/dbraw/zinc/23/72/77/722237277.db2.gz CDQRKBHNUZTHMO-UHFFFAOYSA-N 1 1 469.952 3.208 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)n1 ZINC001165003024 722244121 /nfs/dbraw/zinc/24/41/21/722244121.db2.gz HDDTYFPMJCJMBS-TZIWHRDSSA-N 1 1 496.681 3.466 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC001165001379 722247315 /nfs/dbraw/zinc/24/73/15/722247315.db2.gz PKFMEAOVTVAXBJ-VWLOTQADSA-N 1 1 497.669 3.052 20 0 JGADMO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CCC2 ZINC001164999959 722252093 /nfs/dbraw/zinc/25/20/93/722252093.db2.gz KAGKDEVAPNBDSQ-UHFFFAOYSA-N 1 1 460.626 3.325 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305793903 1069310834 /nfs/dbraw/zinc/31/08/34/1069310834.db2.gz GZCYZURHMGNTET-GBXCKJPGSA-N 1 1 498.672 3.051 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305794161 1069311312 /nfs/dbraw/zinc/31/13/12/1069311312.db2.gz INYNCJPEWMYCNA-NZQKXSOJSA-N 1 1 468.646 3.425 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001305794460 1069312243 /nfs/dbraw/zinc/31/22/43/1069312243.db2.gz KMEXHQLQBKHISQ-YADHBBJMSA-N 1 1 454.619 3.259 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305797466 1069318312 /nfs/dbraw/zinc/31/83/12/1069318312.db2.gz FAEPNKYVEJIQTM-UHFFFAOYSA-N 1 1 471.606 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CCn1cc[nH+]c1C ZINC001305801713 1069324451 /nfs/dbraw/zinc/32/44/51/1069324451.db2.gz GNXKPWQSGXHLCC-NHCUHLMSSA-N 1 1 453.566 3.344 20 0 JGADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)Oc1ccccc1F ZINC001305802337 1069325589 /nfs/dbraw/zinc/32/55/89/1069325589.db2.gz CYZLIIWIZMVFPL-GBESFXJTSA-N 1 1 458.582 3.086 20 0 JGADMO CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)Oc1ccccc1F ZINC001305806446 1069334214 /nfs/dbraw/zinc/33/42/14/1069334214.db2.gz PKYTYQJGVDDAAV-RBUKOAKNSA-N 1 1 481.576 3.453 20 0 JGADMO CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)Oc1ccccc1F ZINC001305806443 1069334294 /nfs/dbraw/zinc/33/42/94/1069334294.db2.gz PKYTYQJGVDDAAV-OALUTQOASA-N 1 1 481.576 3.453 20 0 JGADMO CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCCO[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001305810672 1069340700 /nfs/dbraw/zinc/34/07/00/1069340700.db2.gz PWQPNMXMRUZTOT-YZUZCNPQSA-N 1 1 471.646 3.454 20 0 JGADMO CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCCO[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001305810668 1069340791 /nfs/dbraw/zinc/34/07/91/1069340791.db2.gz PWQPNMXMRUZTOT-AWRGLXIESA-N 1 1 471.646 3.454 20 0 JGADMO CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305810007 1069340044 /nfs/dbraw/zinc/34/00/44/1069340044.db2.gz OAIKDRMZCJWVOV-QKNQBKEWSA-N 1 1 461.582 3.141 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001305816740 1069350771 /nfs/dbraw/zinc/35/07/71/1069350771.db2.gz VGSQNPCQMLKBNU-PKOBYXMFSA-N 1 1 464.010 3.191 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CCOC)CC1)OC ZINC001305814731 1069347114 /nfs/dbraw/zinc/34/71/14/1069347114.db2.gz PRHAVGIBFQWPRV-GOSISDBHSA-N 1 1 466.424 3.209 20 0 JGADMO CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305818511 1069353743 /nfs/dbraw/zinc/35/37/43/1069353743.db2.gz PMWPDFSHRMQKCP-JOCHJYFZSA-N 1 1 493.656 3.299 20 0 JGADMO CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305818511 1069353762 /nfs/dbraw/zinc/35/37/62/1069353762.db2.gz PMWPDFSHRMQKCP-JOCHJYFZSA-N 1 1 493.656 3.299 20 0 JGADMO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001305824008 1069360879 /nfs/dbraw/zinc/36/08/79/1069360879.db2.gz IWAZSCFNCZEUGT-OAQYLSRUSA-N 1 1 485.608 3.222 20 0 JGADMO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001305824008 1069360895 /nfs/dbraw/zinc/36/08/95/1069360895.db2.gz IWAZSCFNCZEUGT-OAQYLSRUSA-N 1 1 485.608 3.222 20 0 JGADMO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001305826344 1069365564 /nfs/dbraw/zinc/36/55/64/1069365564.db2.gz GNINMRLAWPIATN-XKCSPQBFSA-N 1 1 466.634 3.326 20 0 JGADMO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001305824745 1069362460 /nfs/dbraw/zinc/36/24/60/1069362460.db2.gz MRAQPMJUSUHQDT-JQVVWYNYSA-N 1 1 485.608 3.221 20 0 JGADMO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001305824745 1069362472 /nfs/dbraw/zinc/36/24/72/1069362472.db2.gz MRAQPMJUSUHQDT-JQVVWYNYSA-N 1 1 485.608 3.221 20 0 JGADMO CC[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC ZINC001305826375 1069365713 /nfs/dbraw/zinc/36/57/13/1069365713.db2.gz GYYPJCTWBVWOIS-IBGZPJMESA-N 1 1 481.645 3.411 20 0 JGADMO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1ccccc1F ZINC001305828417 1069368366 /nfs/dbraw/zinc/36/83/66/1069368366.db2.gz JOTKYOKAVKOMFV-AZUAARDMSA-N 1 1 458.582 3.146 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305831896 1069372903 /nfs/dbraw/zinc/37/29/03/1069372903.db2.gz GMSPQKOGJUAOSA-INDMIFKZSA-N 1 1 450.628 3.004 20 0 JGADMO CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305834661 1069376137 /nfs/dbraw/zinc/37/61/37/1069376137.db2.gz PZKDBMXUKIEKOY-FHAGJXEFSA-N 1 1 492.665 3.124 20 0 JGADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001305835828 1069377594 /nfs/dbraw/zinc/37/75/94/1069377594.db2.gz MNCLYSFWQXOQDF-FCHUYYIVSA-N 1 1 452.647 3.405 20 0 JGADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837299 1069380341 /nfs/dbraw/zinc/38/03/41/1069380341.db2.gz SEOWJVROPUMOKT-JSXRDJHFSA-N 1 1 494.681 3.021 20 0 JGADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837299 1069380349 /nfs/dbraw/zinc/38/03/49/1069380349.db2.gz SEOWJVROPUMOKT-JSXRDJHFSA-N 1 1 494.681 3.021 20 0 JGADMO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305837284 1069380389 /nfs/dbraw/zinc/38/03/89/1069380389.db2.gz MUMODBQTSNUJTK-QFIPXVFZSA-N 1 1 469.609 3.106 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC001305837842 1069381602 /nfs/dbraw/zinc/38/16/02/1069381602.db2.gz PLARLYJEWUQQOG-JMJGKCIBSA-N 1 1 489.686 3.095 20 0 JGADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305839299 1069384742 /nfs/dbraw/zinc/38/47/42/1069384742.db2.gz UOMYEYGCGBMIGV-VXKWHMMOSA-N 1 1 473.687 3.327 20 0 JGADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001305839299 1069384745 /nfs/dbraw/zinc/38/47/45/1069384745.db2.gz UOMYEYGCGBMIGV-VXKWHMMOSA-N 1 1 473.687 3.327 20 0 JGADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305842293 1069391645 /nfs/dbraw/zinc/39/16/45/1069391645.db2.gz OSLCCVXSLYCXGU-IRFCIJBXSA-N 1 1 471.650 3.486 20 0 JGADMO CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001305848283 1069398492 /nfs/dbraw/zinc/39/84/92/1069398492.db2.gz XTXJFTPSMWSXBI-XZOQPEGZSA-N 1 1 498.672 3.278 20 0 JGADMO CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001305848283 1069398505 /nfs/dbraw/zinc/39/85/05/1069398505.db2.gz XTXJFTPSMWSXBI-XZOQPEGZSA-N 1 1 498.672 3.278 20 0 JGADMO CCC(O)(CC)Cn1c(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001305856891 1069411001 /nfs/dbraw/zinc/41/10/01/1069411001.db2.gz HEHDQZWDLXDHFT-UHFFFAOYSA-N 1 1 456.679 3.381 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305864643 1069421255 /nfs/dbraw/zinc/42/12/55/1069421255.db2.gz NMGAXNFEMFGZTC-SDUSCBPUSA-N 1 1 463.667 3.302 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001305879856 1069432677 /nfs/dbraw/zinc/43/26/77/1069432677.db2.gz BDKHGFJOCVRUFU-RUZDIDTESA-N 1 1 489.686 3.476 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001305880484 1069433251 /nfs/dbraw/zinc/43/32/51/1069433251.db2.gz FZGPIHKDFUBFEL-MHZLTWQESA-N 1 1 497.688 3.179 20 0 JGADMO CC[C@@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC001305890041 1069446822 /nfs/dbraw/zinc/44/68/22/1069446822.db2.gz CNDRTHFXKDMJCN-RDGATRHJSA-N 1 1 489.686 3.074 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001305887443 1069444185 /nfs/dbraw/zinc/44/41/85/1069444185.db2.gz PTHWDQCBWYFKAP-ATIYNZHBSA-N 1 1 468.646 3.202 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001305887450 1069444234 /nfs/dbraw/zinc/44/42/34/1069444234.db2.gz PTHWDQCBWYFKAP-BKMJKUGQSA-N 1 1 468.646 3.202 20 0 JGADMO CC[C@]1(C)CN(c2nnc(Cc3ccccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001305892553 1069449908 /nfs/dbraw/zinc/44/99/08/1069449908.db2.gz YIAHJGRWRSOKAV-PXDATVDWSA-N 1 1 459.610 3.250 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001305893864 1069451053 /nfs/dbraw/zinc/45/10/53/1069451053.db2.gz WXWZEFFODMYCHE-UUOWRZLLSA-N 1 1 463.573 3.121 20 0 JGADMO CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001305893860 1069451151 /nfs/dbraw/zinc/45/11/51/1069451151.db2.gz WXWZEFFODMYCHE-HOYKHHGWSA-N 1 1 463.573 3.121 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC001305916270 1069470891 /nfs/dbraw/zinc/47/08/91/1069470891.db2.gz DCDMUETTXXSVKA-VNHKHXMHSA-N 1 1 491.702 3.295 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccccc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001298208017 1064125325 /nfs/dbraw/zinc/12/53/25/1064125325.db2.gz DFBGCTUFPONKFK-UHFFFAOYSA-N 1 1 452.628 3.416 20 0 JGADMO CN(CC(C)(C)C)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001298229805 1064138706 /nfs/dbraw/zinc/13/87/06/1064138706.db2.gz IFOGIIOGJLOHIH-NRFANRHFSA-N 1 1 455.651 3.262 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CCc1nccc(C(F)(F)F)n1 ZINC001298236214 1064141942 /nfs/dbraw/zinc/14/19/42/1064141942.db2.gz PPPUXAOKSYUYIV-UHFFFAOYSA-N 1 1 483.583 3.422 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCC(=O)Nc1ccccc1 ZINC001298238947 1064142845 /nfs/dbraw/zinc/14/28/45/1064142845.db2.gz CETNDKOHGQBQNQ-JOCHJYFZSA-N 1 1 484.645 3.343 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1 ZINC001298236640 1064142856 /nfs/dbraw/zinc/14/28/56/1064142856.db2.gz ZPVDZSWLIXPTMA-LJQANCHMSA-N 1 1 487.674 3.006 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(O)c1ccsc1 ZINC001298238951 1064143441 /nfs/dbraw/zinc/14/34/41/1064143441.db2.gz CGEBLGNTARAXGI-HYBUGGRVSA-N 1 1 477.675 3.284 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCc1c(F)cccc1F ZINC001298239280 1064143530 /nfs/dbraw/zinc/14/35/30/1064143530.db2.gz GVGHRSBXDPBMDM-GOSISDBHSA-N 1 1 463.573 3.098 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001298239855 1064144536 /nfs/dbraw/zinc/14/45/36/1064144536.db2.gz KUHFYMSAPVPMKN-RLWLMLJZSA-N 1 1 477.694 3.390 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1ncn(-c2ccccc2)n1 ZINC001298239924 1064144563 /nfs/dbraw/zinc/14/45/63/1064144563.db2.gz LRZZJZMZPUWRER-UHFFFAOYSA-N 1 1 480.661 3.290 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCSC1 ZINC001298240431 1064145427 /nfs/dbraw/zinc/14/54/27/1064145427.db2.gz QBVKIPMSARQMOO-HXUWFJFHSA-N 1 1 458.676 3.202 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C2CCC2)n1CC(=O)N(C)C1CCCCC1 ZINC001298240234 1064145455 /nfs/dbraw/zinc/14/54/55/1064145455.db2.gz ONTXIPQZCSIXRH-UHFFFAOYSA-N 1 1 460.667 3.131 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC=CCO1 ZINC001298240479 1064146127 /nfs/dbraw/zinc/14/61/27/1064146127.db2.gz RJOHMHDPVYZHRP-JOCHJYFZSA-N 1 1 457.594 3.148 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CCOc1ccc(Cl)cc1 ZINC001298240994 1064146605 /nfs/dbraw/zinc/14/66/05/1064146605.db2.gz XIBNPZKBGFYOOU-IBGZPJMESA-N 1 1 478.037 3.309 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 ZINC001298241080 1064147282 /nfs/dbraw/zinc/14/72/82/1064147282.db2.gz ZMGNKMSRDQSZQV-FQEVSTJZSA-N 1 1 457.667 3.435 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298243124 1064147625 /nfs/dbraw/zinc/14/76/25/1064147625.db2.gz KZBXIKJJGUVDIK-QGZVFWFLSA-N 1 1 463.512 3.040 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298244269 1064148373 /nfs/dbraw/zinc/14/83/73/1064148373.db2.gz COXDXHKWFWSUNT-MRXNPFEDSA-N 1 1 487.596 3.357 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cccn2C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298244547 1064148447 /nfs/dbraw/zinc/14/84/47/1064148447.db2.gz HAUSIYWSHPCJGB-UHFFFAOYSA-N 1 1 461.536 3.100 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001298250504 1064150219 /nfs/dbraw/zinc/15/02/19/1064150219.db2.gz YCCKVECNRKPBQJ-GRDNDAEWSA-N 1 1 456.538 3.372 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCOC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298281975 1064168802 /nfs/dbraw/zinc/16/88/02/1064168802.db2.gz PXYKOYZMAVIFGE-IAGOWNOFSA-N 1 1 482.423 3.011 20 0 JGADMO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCC[NH+]1CCOCC1 ZINC001298286235 1064173867 /nfs/dbraw/zinc/17/38/67/1064173867.db2.gz RPXHYMASNMKALI-UHFFFAOYSA-N 1 1 494.562 3.282 20 0 JGADMO CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCOC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298295645 1064179929 /nfs/dbraw/zinc/17/99/29/1064179929.db2.gz PMIITCWLQFPIEG-DLBZAZTESA-N 1 1 454.040 3.370 20 0 JGADMO CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298304070 1064184494 /nfs/dbraw/zinc/18/44/94/1064184494.db2.gz ULCMSYSPDGKBDL-KRWDZBQOSA-N 1 1 459.957 3.011 20 0 JGADMO CN(Cc1ccc(F)c(F)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298305514 1064185567 /nfs/dbraw/zinc/18/55/67/1064185567.db2.gz SQRAFXLZRARSME-FQEVSTJZSA-N 1 1 456.541 3.025 20 0 JGADMO CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001298309926 1064187027 /nfs/dbraw/zinc/18/70/27/1064187027.db2.gz OCTAZCYRUKBNCE-ICSRJNTNSA-N 1 1 463.623 3.076 20 0 JGADMO CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298309926 1064187031 /nfs/dbraw/zinc/18/70/31/1064187031.db2.gz OCTAZCYRUKBNCE-ICSRJNTNSA-N 1 1 463.623 3.076 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001298338313 1064208214 /nfs/dbraw/zinc/20/82/14/1064208214.db2.gz UFIZINQFFMRWRX-GOSISDBHSA-N 1 1 466.051 3.344 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298338106 1064208333 /nfs/dbraw/zinc/20/83/33/1064208333.db2.gz RYUXGLADKMOCNA-JOCHJYFZSA-N 1 1 455.006 3.401 20 0 JGADMO CN(Cc1ccccn1)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298374155 1064223175 /nfs/dbraw/zinc/22/31/75/1064223175.db2.gz OZFYYZBUJGSOLU-UHFFFAOYSA-N 1 1 456.541 3.289 20 0 JGADMO CN(Cc1ccccn1)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298374155 1064223184 /nfs/dbraw/zinc/22/31/84/1064223184.db2.gz OZFYYZBUJGSOLU-UHFFFAOYSA-N 1 1 456.541 3.289 20 0 JGADMO CN(Cc1ccccn1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298375734 1064224069 /nfs/dbraw/zinc/22/40/69/1064224069.db2.gz DGIVRMIDWNBIJE-NHCUHLMSSA-N 1 1 456.635 3.339 20 0 JGADMO CN(Cc1ccccn1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298375734 1064224073 /nfs/dbraw/zinc/22/40/73/1064224073.db2.gz DGIVRMIDWNBIJE-NHCUHLMSSA-N 1 1 456.635 3.339 20 0 JGADMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)[C@H]2C1 ZINC001298377115 1064225426 /nfs/dbraw/zinc/22/54/26/1064225426.db2.gz KBUABYYYVIUPIS-BEFAXECRSA-N 1 1 458.356 3.243 20 0 JGADMO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298391577 1064229901 /nfs/dbraw/zinc/22/99/01/1064229901.db2.gz LURLKSCVWDFCOJ-UHFFFAOYSA-N 1 1 461.973 3.218 20 0 JGADMO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298391577 1064229908 /nfs/dbraw/zinc/22/99/08/1064229908.db2.gz LURLKSCVWDFCOJ-UHFFFAOYSA-N 1 1 461.973 3.218 20 0 JGADMO NC(=O)c1ccccc1NCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298397471 1064232578 /nfs/dbraw/zinc/23/25/78/1064232578.db2.gz YDYSEESSFDYBDD-HSZRJFAPSA-N 1 1 457.578 3.286 20 0 JGADMO CN(Cc1ccoc1)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298417560 1064243569 /nfs/dbraw/zinc/24/35/69/1064243569.db2.gz ZWTKYCUZGSZDNC-UHFFFAOYSA-N 1 1 477.407 3.386 20 0 JGADMO CN(Cc1ccoc1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001298418384 1064243630 /nfs/dbraw/zinc/24/36/30/1064243630.db2.gz IDAMPAIYSKOIKD-DHUJRADRSA-N 1 1 498.697 3.419 20 0 JGADMO CN(Cc1csc(Br)c1)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CC=CCC1 ZINC001298421530 1064245788 /nfs/dbraw/zinc/24/57/88/1064245788.db2.gz WQCMNAOFASAQME-UHFFFAOYSA-N 1 1 479.448 3.236 20 0 JGADMO C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1=O ZINC001298424150 1064246244 /nfs/dbraw/zinc/24/62/44/1064246244.db2.gz DWKYDIPRWAWQDS-NTKDMRAZSA-N 1 1 452.574 3.055 20 0 JGADMO CN(Cc1nccs1)c1nnc(CCc2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298460510 1064261318 /nfs/dbraw/zinc/26/13/18/1064261318.db2.gz IJXSAIYNCNKIOB-UHFFFAOYSA-N 1 1 453.660 3.182 20 0 JGADMO CN(Cc1nccs1)c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298460510 1064261325 /nfs/dbraw/zinc/26/13/25/1064261325.db2.gz IJXSAIYNCNKIOB-UHFFFAOYSA-N 1 1 453.660 3.182 20 0 JGADMO CN(Cc1nccs1)c1nnc(CCc2ccccc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298460510 1064261334 /nfs/dbraw/zinc/26/13/34/1064261334.db2.gz IJXSAIYNCNKIOB-UHFFFAOYSA-N 1 1 453.660 3.182 20 0 JGADMO CN(Cc1cnn(-c2ccccc2)n1)c1nnc(C(C)(C)C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298465876 1064266752 /nfs/dbraw/zinc/26/67/52/1064266752.db2.gz PETXVUZYXAUAQI-QFIPXVFZSA-N 1 1 466.634 3.030 20 0 JGADMO CN(CC1CC(F)C1)c1nnc(COc2ccccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298488674 1064277136 /nfs/dbraw/zinc/27/71/36/1064277136.db2.gz CNSCRUHKQUIUCY-UHFFFAOYSA-N 1 1 462.589 3.207 20 0 JGADMO CN(C[C@@H]1CCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)C1)C(=O)OC(C)(C)C ZINC001298563927 1064331075 /nfs/dbraw/zinc/33/10/75/1064331075.db2.gz CGGCZXBAMYESSL-IBGZPJMESA-N 1 1 476.666 3.350 20 0 JGADMO CN(C[C@@H]1CCN(c2nnc(C3CCC3)n2CC[N@H+]2CCOCC2(C)C)C1)C(=O)OC(C)(C)C ZINC001298563927 1064331089 /nfs/dbraw/zinc/33/10/89/1064331089.db2.gz CGGCZXBAMYESSL-IBGZPJMESA-N 1 1 476.666 3.350 20 0 JGADMO CN(CC1CCN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001298565761 1064335121 /nfs/dbraw/zinc/33/51/21/1064335121.db2.gz BVGLBQKZLHXSRP-UHFFFAOYSA-N 1 1 490.693 3.425 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(CC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 ZINC001298568288 1064341036 /nfs/dbraw/zinc/34/10/36/1064341036.db2.gz SUIMYYYSJKQNAK-JOCHJYFZSA-N 1 1 475.641 3.367 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(-c2cccnc2)n1CCNC(=O)C(C)(C)C ZINC001298568367 1064341716 /nfs/dbraw/zinc/34/17/16/1064341716.db2.gz UTKKXYPVJBGMKQ-JOCHJYFZSA-N 1 1 475.641 3.461 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298570322 1064343952 /nfs/dbraw/zinc/34/39/52/1064343952.db2.gz HFONULCRWJCHEB-INIZCTEOSA-N 1 1 496.425 3.430 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(F)cc2Br)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298570322 1064343967 /nfs/dbraw/zinc/34/39/67/1064343967.db2.gz HFONULCRWJCHEB-INIZCTEOSA-N 1 1 496.425 3.430 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298572225 1064347061 /nfs/dbraw/zinc/34/70/61/1064347061.db2.gz XEENWUDNUIGQOV-IEBWSBKVSA-N 1 1 466.001 3.447 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298572223 1064347149 /nfs/dbraw/zinc/34/71/49/1064347149.db2.gz XEENWUDNUIGQOV-HKUYNNGSSA-N 1 1 466.001 3.447 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCSCC1 ZINC001298593206 1064367417 /nfs/dbraw/zinc/36/74/17/1064367417.db2.gz XLESHKVMOKNBPC-UHFFFAOYSA-N 1 1 490.983 3.299 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001298595206 1064371016 /nfs/dbraw/zinc/37/10/16/1064371016.db2.gz DUVYULMTBZWPLC-HOTGVXAUSA-N 1 1 491.605 3.467 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298601252 1064375868 /nfs/dbraw/zinc/37/58/68/1064375868.db2.gz DWIMHSLYYDAHMZ-UHFFFAOYSA-N 1 1 472.588 3.453 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298601252 1064375878 /nfs/dbraw/zinc/37/58/78/1064375878.db2.gz DWIMHSLYYDAHMZ-UHFFFAOYSA-N 1 1 472.588 3.453 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298601252 1064375890 /nfs/dbraw/zinc/37/58/90/1064375890.db2.gz DWIMHSLYYDAHMZ-UHFFFAOYSA-N 1 1 472.588 3.453 20 0 JGADMO CN(CCC(F)F)c1nnc(C(=O)Nc2ccccn2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001298601494 1064376066 /nfs/dbraw/zinc/37/60/66/1064376066.db2.gz IXBMXMOSUJRWRG-UHFFFAOYSA-N 1 1 469.540 3.465 20 0 JGADMO C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CC[N@H+](C2CC2)C1 ZINC001298642088 1064416446 /nfs/dbraw/zinc/41/64/46/1064416446.db2.gz WAYHDHQLTFNMOY-CQSZACIVSA-N 1 1 450.324 3.033 20 0 JGADMO CN(CCC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298647286 1064420405 /nfs/dbraw/zinc/42/04/05/1064420405.db2.gz YKZBZIYPUAGGAK-BGYRXZFFSA-N 1 1 476.666 3.396 20 0 JGADMO CN(CCC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001298647286 1064420414 /nfs/dbraw/zinc/42/04/14/1064420414.db2.gz YKZBZIYPUAGGAK-BGYRXZFFSA-N 1 1 476.666 3.396 20 0 JGADMO CN(CCCCCO)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298658562 1064433320 /nfs/dbraw/zinc/43/33/20/1064433320.db2.gz AHPSURCIBFNGFE-UHFFFAOYSA-N 1 1 457.619 3.437 20 0 JGADMO CC[C@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001298661602 1064438538 /nfs/dbraw/zinc/43/85/38/1064438538.db2.gz WJKIDDXKEMJWKH-UEQSERJNSA-N 1 1 457.615 3.429 20 0 JGADMO CC[C@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001298661602 1064438543 /nfs/dbraw/zinc/43/85/43/1064438543.db2.gz WJKIDDXKEMJWKH-UEQSERJNSA-N 1 1 457.615 3.429 20 0 JGADMO CN(CCCn1c(C2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298672254 1064456165 /nfs/dbraw/zinc/45/61/65/1064456165.db2.gz RUPDBMRPJVWNQM-FQEVSTJZSA-N 1 1 476.666 3.351 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001298673729 1064458148 /nfs/dbraw/zinc/45/81/48/1064458148.db2.gz BCSBGXKHKSGJDU-GOSISDBHSA-N 1 1 473.565 3.091 20 0 JGADMO CN(CCCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001298680236 1064470053 /nfs/dbraw/zinc/47/00/53/1064470053.db2.gz SDSDTBLKGQTDIF-UHFFFAOYSA-N 1 1 467.662 3.238 20 0 JGADMO CN(CCCOc1ccccc1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298683515 1064477696 /nfs/dbraw/zinc/47/76/96/1064477696.db2.gz JZVAHZYLZJHIPD-UHFFFAOYSA-N 1 1 450.587 3.356 20 0 JGADMO CN(CCCOc1ccccc1)c1nnc(-c2cccnc2)n1CC[N@H+]1CCOCC1(C)C ZINC001298683515 1064477706 /nfs/dbraw/zinc/47/77/06/1064477706.db2.gz JZVAHZYLZJHIPD-UHFFFAOYSA-N 1 1 450.587 3.356 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001298690002 1064486805 /nfs/dbraw/zinc/48/68/05/1064486805.db2.gz ITFSIGNKRJHQFO-HXUWFJFHSA-N 1 1 457.600 3.246 20 0 JGADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)CC2)cc1 ZINC001298695399 1064493842 /nfs/dbraw/zinc/49/38/42/1064493842.db2.gz ACPJTALPEVKRCX-JOCHJYFZSA-N 1 1 457.615 3.035 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001298696021 1064495647 /nfs/dbraw/zinc/49/56/47/1064495647.db2.gz JERCMFHQPOYMJQ-NSHGMRRFSA-N 1 1 481.688 3.145 20 0 JGADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)CC2)cc1 ZINC001298696122 1064495669 /nfs/dbraw/zinc/49/56/69/1064495669.db2.gz RPVZOYJKQMAKIA-UHFFFAOYSA-N 1 1 453.583 3.271 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298697081 1064498300 /nfs/dbraw/zinc/49/83/00/1064498300.db2.gz HYHIGTWKEWFPSE-FQEVSTJZSA-N 1 1 466.051 3.486 20 0 JGADMO C[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(F)F)C1)Cc1ccc(F)cc1 ZINC001298697824 1064500281 /nfs/dbraw/zinc/50/02/81/1064500281.db2.gz JRSHJWAKZNNWBJ-GOSISDBHSA-N 1 1 464.536 3.267 20 0 JGADMO CN(C)C(=O)CC1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001298703875 1064505063 /nfs/dbraw/zinc/50/50/63/1064505063.db2.gz BRFFPTQYQKUYAU-UHFFFAOYSA-N 1 1 467.593 3.239 20 0 JGADMO C[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298703961 1064506069 /nfs/dbraw/zinc/50/60/69/1064506069.db2.gz GBUFDOJHFRRPQV-UHFFFAOYSA-N 1 1 494.619 3.241 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001298705324 1064509673 /nfs/dbraw/zinc/50/96/73/1064509673.db2.gz DTLVECGBWVDDFN-LJQANCHMSA-N 1 1 468.650 3.131 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N(CCS(C)(=O)=O)C1CC1)C1CCCC1 ZINC001298705506 1064510175 /nfs/dbraw/zinc/51/01/75/1064510175.db2.gz WQXJTVAGJGLTSY-UHFFFAOYSA-N 1 1 466.051 3.486 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298705631 1064510677 /nfs/dbraw/zinc/51/06/77/1064510677.db2.gz IKFRJYDTQBGZRG-CPJSRVTESA-N 1 1 472.609 3.142 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC001298706207 1064511515 /nfs/dbraw/zinc/51/15/15/1064511515.db2.gz QHYHLBSEPAUSMA-ROUUACIJSA-N 1 1 450.509 3.140 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CCCC1 ZINC001298710068 1064515646 /nfs/dbraw/zinc/51/56/46/1064515646.db2.gz XCXFTDSJAQPJJS-NHCUHLMSSA-N 1 1 474.694 3.425 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CCCC1 ZINC001298711599 1064516908 /nfs/dbraw/zinc/51/69/08/1064516908.db2.gz ABRWCCNVJNYDSB-HXUWFJFHSA-N 1 1 466.051 3.020 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298712332 1064519609 /nfs/dbraw/zinc/51/96/09/1064519609.db2.gz BAZZMKBAMVYKCU-IFMALSPDSA-N 1 1 486.636 3.184 20 0 JGADMO CN(CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001298715067 1064524430 /nfs/dbraw/zinc/52/44/30/1064524430.db2.gz SFJLNVAVWCOZBP-FCHUYYIVSA-N 1 1 484.645 3.360 20 0 JGADMO C[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)C1)C1CCCCC1 ZINC001298717510 1064527517 /nfs/dbraw/zinc/52/75/17/1064527517.db2.gz NHYJYWZIHKIITJ-UHFFFAOYSA-N 1 1 460.648 3.149 20 0 JGADMO C[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC(C(F)(F)F)CC1)Cc1ccccc1 ZINC001298717748 1064528126 /nfs/dbraw/zinc/52/81/26/1064528126.db2.gz QXVNGQZKOYVVNO-UHFFFAOYSA-N 1 1 464.536 3.311 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001298719453 1064529513 /nfs/dbraw/zinc/52/95/13/1064529513.db2.gz AZHYIYXFMANMEK-UYAOXDASSA-N 1 1 462.639 3.498 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC001298719977 1064530755 /nfs/dbraw/zinc/53/07/55/1064530755.db2.gz KUIYVQQVQXXMSM-KSEOMHKRSA-N 1 1 486.636 3.170 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc([C@H]2CCCO2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298720208 1064531002 /nfs/dbraw/zinc/53/10/02/1064531002.db2.gz MVJXOHNZFQLNLA-OAQYLSRUSA-N 1 1 461.582 3.236 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCOCC1 ZINC001298727594 1064537166 /nfs/dbraw/zinc/53/71/66/1064537166.db2.gz HKJCEAUXGYKYCN-UHFFFAOYSA-N 1 1 484.689 3.003 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCOCC1 ZINC001298727594 1064537176 /nfs/dbraw/zinc/53/71/76/1064537176.db2.gz HKJCEAUXGYKYCN-UHFFFAOYSA-N 1 1 484.689 3.003 20 0 JGADMO C[N@@H+](CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1)Cc1ccccc1 ZINC001298728084 1064539477 /nfs/dbraw/zinc/53/94/77/1064539477.db2.gz MHQJUGHZXHZUSD-HSZRJFAPSA-N 1 1 495.716 3.035 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001298729694 1064543689 /nfs/dbraw/zinc/54/36/89/1064543689.db2.gz MAODHYJCHYJCJH-UHFFFAOYSA-N 1 1 486.627 3.442 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001298729694 1064543703 /nfs/dbraw/zinc/54/37/03/1064543703.db2.gz MAODHYJCHYJCJH-UHFFFAOYSA-N 1 1 486.627 3.442 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1CCCc1cccc(F)c1 ZINC001298729664 1064543780 /nfs/dbraw/zinc/54/37/80/1064543780.db2.gz KQIWBVGVKQVJPD-NRFANRHFSA-N 1 1 459.610 3.491 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1CCCc1cccc(F)c1 ZINC001298729664 1064543798 /nfs/dbraw/zinc/54/37/98/1064543798.db2.gz KQIWBVGVKQVJPD-NRFANRHFSA-N 1 1 459.610 3.491 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1CCC[C@H]1CCCCO1 ZINC001298729440 1064544256 /nfs/dbraw/zinc/54/42/56/1064544256.db2.gz JZCASTKZUDAJMC-JOCHJYFZSA-N 1 1 456.635 3.160 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1CCC[C@H]1CCCCO1 ZINC001298729440 1064544268 /nfs/dbraw/zinc/54/42/68/1064544268.db2.gz JZCASTKZUDAJMC-JOCHJYFZSA-N 1 1 456.635 3.160 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1C[C@](C)(O)C1CCCCC1 ZINC001298730021 1064544292 /nfs/dbraw/zinc/54/42/92/1064544292.db2.gz PIIRBBPXVJAVPV-SANMLTNESA-N 1 1 470.662 3.142 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1C[C@](C)(O)C1CCCCC1 ZINC001298730021 1064544303 /nfs/dbraw/zinc/54/43/03/1064544303.db2.gz PIIRBBPXVJAVPV-SANMLTNESA-N 1 1 470.662 3.142 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1CCCc1cccc(F)c1 ZINC001298729665 1064544354 /nfs/dbraw/zinc/54/43/54/1064544354.db2.gz KQIWBVGVKQVJPD-OAQYLSRUSA-N 1 1 459.610 3.491 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1CCCc1cccc(F)c1 ZINC001298729665 1064544364 /nfs/dbraw/zinc/54/43/64/1064544364.db2.gz KQIWBVGVKQVJPD-OAQYLSRUSA-N 1 1 459.610 3.491 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1Cc1cccc(C(F)(F)F)n1 ZINC001298730377 1064544700 /nfs/dbraw/zinc/54/47/00/1064544700.db2.gz XZJRBUVBMCRVIQ-UHFFFAOYSA-N 1 1 489.546 3.273 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1Cc1cccc(C(F)(F)F)n1 ZINC001298730377 1064544718 /nfs/dbraw/zinc/54/47/18/1064544718.db2.gz XZJRBUVBMCRVIQ-UHFFFAOYSA-N 1 1 489.546 3.273 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001298730339 1064545465 /nfs/dbraw/zinc/54/54/65/1064545465.db2.gz WZRRCGWKBNBDJC-UHFFFAOYSA-N 1 1 493.660 3.002 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001298730339 1064545482 /nfs/dbraw/zinc/54/54/82/1064545482.db2.gz WZRRCGWKBNBDJC-UHFFFAOYSA-N 1 1 493.660 3.002 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CNC(=O)c2cccs2)n1CCCC(F)(F)F ZINC001298733764 1064549297 /nfs/dbraw/zinc/54/92/97/1064549297.db2.gz SGCMPLWVZIGUJJ-UHFFFAOYSA-N 1 1 488.580 3.159 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CNC(=O)c2cccs2)n1CCCC(F)(F)F ZINC001298733764 1064549315 /nfs/dbraw/zinc/54/93/15/1064549315.db2.gz SGCMPLWVZIGUJJ-UHFFFAOYSA-N 1 1 488.580 3.159 20 0 JGADMO CN(CCN1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CC=CCC1 ZINC001298736104 1064550451 /nfs/dbraw/zinc/55/04/51/1064550451.db2.gz AMVFKWQXSAEOLB-UHFFFAOYSA-N 1 1 465.429 3.282 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(C(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001298747503 1064559153 /nfs/dbraw/zinc/55/91/53/1064559153.db2.gz COIXKVQCKNPOLM-UHFFFAOYSA-N 1 1 457.667 3.434 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298750256 1064561202 /nfs/dbraw/zinc/56/12/02/1064561202.db2.gz RSVHUCWZIGACEU-FCHUYYIVSA-N 1 1 468.646 3.045 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(COc2ccccc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001298754210 1064564549 /nfs/dbraw/zinc/56/45/49/1064564549.db2.gz DJYJFVBDVJOGAF-UHFFFAOYSA-N 1 1 463.598 3.358 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001298754210 1064564563 /nfs/dbraw/zinc/56/45/63/1064564563.db2.gz DJYJFVBDVJOGAF-UHFFFAOYSA-N 1 1 463.598 3.358 20 0 JGADMO CN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298784054 1064588467 /nfs/dbraw/zinc/58/84/67/1064588467.db2.gz KRSOTZKSVSZNMV-LJQANCHMSA-N 1 1 478.435 3.434 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(-c4ccccn4)n3CC(C)(C)C(F)(F)F)CC2)cn1 ZINC001298827769 1064631368 /nfs/dbraw/zinc/63/13/68/1064631368.db2.gz HGAOTNSCPIDIPM-UHFFFAOYSA-N 1 1 462.524 3.374 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3ccc(F)cc3)CC2)cn1 ZINC001298828822 1064634024 /nfs/dbraw/zinc/63/40/24/1064634024.db2.gz XKOMMZLPCBIGRV-AREMUKBSSA-N 1 1 483.636 3.359 20 0 JGADMO Cn1cc(Nc2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCC[N@H+]2CCCO)cn1 ZINC001298840021 1064642502 /nfs/dbraw/zinc/64/25/02/1064642502.db2.gz AAEZGAFUDSUGQD-QGZVFWFLSA-N 1 1 480.400 3.488 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCn1cc(Br)cn1 ZINC001298861671 1064664742 /nfs/dbraw/zinc/66/47/42/1064664742.db2.gz LORKCQJVHVFSJB-UHFFFAOYSA-N 1 1 475.439 3.253 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC(=O)N1CCCCCC1 ZINC001298862885 1064667109 /nfs/dbraw/zinc/66/71/09/1064667109.db2.gz YYEREGYXZXIYIB-UHFFFAOYSA-N 1 1 455.651 3.387 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298877445 1064682468 /nfs/dbraw/zinc/68/24/68/1064682468.db2.gz FLEAEXWLMSLXDM-FQEVSTJZSA-N 1 1 483.926 3.054 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298879230 1064684089 /nfs/dbraw/zinc/68/40/89/1064684089.db2.gz NQDNISXOLYVHBT-IIBYNOLFSA-N 1 1 454.402 3.324 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001298878746 1064684103 /nfs/dbraw/zinc/68/41/03/1064684103.db2.gz LXCNDQCBHXCLGY-BJKOFHAPSA-N 1 1 479.572 3.255 20 0 JGADMO CN(Cc1csc(Br)c1)c1nnc(-c2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298879725 1064685126 /nfs/dbraw/zinc/68/51/26/1064685126.db2.gz PVQLZQMRIQOEPA-HXUWFJFHSA-N 1 1 462.417 3.472 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298880937 1064686720 /nfs/dbraw/zinc/68/67/20/1064686720.db2.gz YEAFKVDPAMCNBD-NTKDMRAZSA-N 1 1 491.036 3.159 20 0 JGADMO CN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@@H](CF)c1ccc(Br)cc1 ZINC001298881070 1064686948 /nfs/dbraw/zinc/68/69/48/1064686948.db2.gz ZOCIQAKTWLVZDV-SIKLNZKXSA-N 1 1 489.393 3.316 20 0 JGADMO CN(CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001298882249 1064689434 /nfs/dbraw/zinc/68/94/34/1064689434.db2.gz SQNYZXHSXRXZPP-RUZDIDTESA-N 1 1 478.682 3.017 20 0 JGADMO CN(CC1CCCCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298884786 1064690412 /nfs/dbraw/zinc/69/04/12/1064690412.db2.gz CQJIJHWWHXUCAZ-OHUGHZGNSA-N 1 1 476.666 3.132 20 0 JGADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(OC)c1 ZINC001298885494 1064692256 /nfs/dbraw/zinc/69/22/56/1064692256.db2.gz GBUMZBLAMDYELQ-SXSPYAJSSA-N 1 1 451.567 3.088 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001298886175 1064693053 /nfs/dbraw/zinc/69/30/53/1064693053.db2.gz NOTMSUAMRYZMGD-LPHOPBHVSA-N 1 1 466.051 3.342 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccncc2)nnc1N(CCO)CCc1ccccc1 ZINC001298886153 1064693073 /nfs/dbraw/zinc/69/30/73/1064693073.db2.gz DJUDBUYPQBDFKZ-XMMPIXPASA-N 1 1 462.642 3.426 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001298886315 1064694125 /nfs/dbraw/zinc/69/41/25/1064694125.db2.gz FNJCQTWLSSAABF-FGZHOGPDSA-N 1 1 452.647 3.276 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001298886397 1064694162 /nfs/dbraw/zinc/69/41/62/1064694162.db2.gz GGFXCKWTCCEELA-BBRCJUOPSA-N 1 1 460.667 3.019 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001298886401 1064695082 /nfs/dbraw/zinc/69/50/82/1064695082.db2.gz GGFXCKWTCCEELA-QAAIKFCJSA-N 1 1 460.667 3.019 20 0 JGADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)CC2)cc1 ZINC001298887779 1064697386 /nfs/dbraw/zinc/69/73/86/1064697386.db2.gz NEDSQQNDJWSIPX-YKSBVNFPSA-N 1 1 455.624 3.175 20 0 JGADMO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCOC1 ZINC001298888697 1064698680 /nfs/dbraw/zinc/69/86/80/1064698680.db2.gz OIURIPVPPXEUOB-IYWMVGAKSA-N 1 1 476.666 3.394 20 0 JGADMO C[C@H]1[C@@H](NC(=O)COc2ccc(I)cc2)CC[N@H+]1Cc1ccccc1 ZINC001298890774 1064701024 /nfs/dbraw/zinc/70/10/24/1064701024.db2.gz YNKCOBSNGXSURN-KXBFYZLASA-N 1 1 450.320 3.449 20 0 JGADMO C[N@H+]1CCN(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1(C)C ZINC001298898911 1064704652 /nfs/dbraw/zinc/70/46/52/1064704652.db2.gz YGRLKDVGBMQCNA-SFHVURJKSA-N 1 1 486.970 3.392 20 0 JGADMO CN1CC[N@H+](CCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1(C)C ZINC001298898911 1064704666 /nfs/dbraw/zinc/70/46/66/1064704666.db2.gz YGRLKDVGBMQCNA-SFHVURJKSA-N 1 1 486.970 3.392 20 0 JGADMO CN1CC[N@@H+](CCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1(C)C ZINC001298898911 1064704676 /nfs/dbraw/zinc/70/46/76/1064704676.db2.gz YGRLKDVGBMQCNA-SFHVURJKSA-N 1 1 486.970 3.392 20 0 JGADMO C[NH+](C)[C@@H](C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 ZINC001298910771 1064711955 /nfs/dbraw/zinc/71/19/55/1064711955.db2.gz YJTDXJLDBWBZRZ-VQTJNVASSA-N 1 1 451.011 3.096 20 0 JGADMO CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)CC2)C1 ZINC001298910888 1064712540 /nfs/dbraw/zinc/71/25/40/1064712540.db2.gz ZPNQMAGXXIITCE-PKTZIBPZSA-N 1 1 456.631 3.195 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001298918011 1064720074 /nfs/dbraw/zinc/72/00/74/1064720074.db2.gz ZDHPQWQJVQLTJR-MSOLQXFVSA-N 1 1 458.582 3.004 20 0 JGADMO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)=NO2 ZINC001298926316 1064725489 /nfs/dbraw/zinc/72/54/89/1064725489.db2.gz QQSINTMMPZFYJA-FQEVSTJZSA-N 1 1 456.587 3.171 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001298942677 1064734801 /nfs/dbraw/zinc/73/48/01/1064734801.db2.gz TWKMUSJMYFQYGE-UHFFFAOYSA-N 1 1 489.668 3.385 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001298962647 1064749781 /nfs/dbraw/zinc/74/97/81/1064749781.db2.gz AWCCQDUMQMGGED-HUUCEWRRSA-N 1 1 483.480 3.319 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001298967500 1064757946 /nfs/dbraw/zinc/75/79/46/1064757946.db2.gz ZSQAZVKNWPESEE-HZPDHXFCSA-N 1 1 475.435 3.010 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298968768 1064759319 /nfs/dbraw/zinc/75/93/19/1064759319.db2.gz CPUYWLGGFZZZOS-IBGZPJMESA-N 1 1 463.630 3.434 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001298987398 1064771285 /nfs/dbraw/zinc/77/12/85/1064771285.db2.gz ACPMVEMXNPWEKK-XQFWAAQXSA-N 1 1 481.670 3.227 20 0 JGADMO CC[N@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)[C@H](C)C1 ZINC001299010449 1064794086 /nfs/dbraw/zinc/79/40/86/1064794086.db2.gz UQBYKSSFGXKHJY-QWFCFKBJSA-N 1 1 451.633 3.109 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001299028262 1064812447 /nfs/dbraw/zinc/81/24/47/1064812447.db2.gz JOCSTCYWJFXENJ-PXDATVDWSA-N 1 1 482.032 3.183 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299029846 1064815263 /nfs/dbraw/zinc/81/52/63/1064815263.db2.gz QPKHHXMHLXZXCH-BCHFMIIMSA-N 1 1 488.627 3.478 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299042172 1064834326 /nfs/dbraw/zinc/83/43/26/1064834326.db2.gz YSLIHLRAEHJIQF-UMEGOILYSA-N 1 1 460.667 3.034 20 0 JGADMO CNC(=O)c1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001299043889 1064836400 /nfs/dbraw/zinc/83/64/00/1064836400.db2.gz DAEYGULJPJDNSW-HSZRJFAPSA-N 1 1 496.681 3.283 20 0 JGADMO CNC(=O)c1cccc(CCn2c(CC(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001299052192 1064842923 /nfs/dbraw/zinc/84/29/23/1064842923.db2.gz FCDOIKMQYNVBOY-SZPZYZBQSA-N 1 1 496.700 3.405 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299063633 1064859411 /nfs/dbraw/zinc/85/94/11/1064859411.db2.gz ALQVPAHKAWOFJD-RTBURBONSA-N 1 1 472.609 3.394 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001299066832 1064862900 /nfs/dbraw/zinc/86/29/00/1064862900.db2.gz LZPYWFPJLDQBIY-PZJWPPBQSA-N 1 1 493.612 3.006 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001299101896 1064910111 /nfs/dbraw/zinc/91/01/11/1064910111.db2.gz ZBUSQMQRUBVCHP-MSOLQXFVSA-N 1 1 472.659 3.024 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001299110523 1064919036 /nfs/dbraw/zinc/91/90/36/1064919036.db2.gz QKZWQHJBBAZUEV-UHFFFAOYSA-N 1 1 495.455 3.325 20 0 JGADMO CNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001299119011 1064926894 /nfs/dbraw/zinc/92/68/94/1064926894.db2.gz KYOMIDKFXPPMAN-QFIPXVFZSA-N 1 1 452.647 3.004 20 0 JGADMO CNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001299119010 1064927096 /nfs/dbraw/zinc/92/70/96/1064927096.db2.gz KYOMIDKFXPPMAN-JOCHJYFZSA-N 1 1 452.647 3.004 20 0 JGADMO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001299130920 1064938739 /nfs/dbraw/zinc/93/87/39/1064938739.db2.gz MMRVIQCOOZRBJZ-QZTJIDSGSA-N 1 1 459.587 3.427 20 0 JGADMO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001299130909 1064938763 /nfs/dbraw/zinc/93/87/63/1064938763.db2.gz MMRVIQCOOZRBJZ-MSOLQXFVSA-N 1 1 459.587 3.427 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001299132805 1064940139 /nfs/dbraw/zinc/94/01/39/1064940139.db2.gz ADMPCPWMJLFGDH-QTEQDKRBSA-N 1 1 482.673 3.314 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001299749387 1064948764 /nfs/dbraw/zinc/94/87/64/1064948764.db2.gz AJKHHEAHTXNTRF-PMACEKPBSA-N 1 1 484.464 3.231 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001299749391 1064948947 /nfs/dbraw/zinc/94/89/47/1064948947.db2.gz AJKHHEAHTXNTRF-WOJBJXKFSA-N 1 1 484.464 3.231 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001299749739 1064949472 /nfs/dbraw/zinc/94/94/72/1064949472.db2.gz ULYNSDPLMNKSPK-DQEYMECFSA-N 1 1 463.667 3.446 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001299750881 1064950549 /nfs/dbraw/zinc/95/05/49/1064950549.db2.gz PMTUUNIDLXVYSY-UZUQRXQVSA-N 1 1 465.545 3.273 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001299750881 1064950561 /nfs/dbraw/zinc/95/05/61/1064950561.db2.gz PMTUUNIDLXVYSY-UZUQRXQVSA-N 1 1 465.545 3.273 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3ccccn3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001299756743 1064955057 /nfs/dbraw/zinc/95/50/57/1064955057.db2.gz OUBYZPWSUPHOTH-RUZDIDTESA-N 1 1 455.651 3.009 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299766106 1064962752 /nfs/dbraw/zinc/96/27/52/1064962752.db2.gz VOGUJAXLUYKBRM-NBGIEHNGSA-N 1 1 494.681 3.322 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299768189 1064965016 /nfs/dbraw/zinc/96/50/16/1064965016.db2.gz LISCBODJFXUOLA-MUUNZHRXSA-N 1 1 497.732 3.378 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299768189 1064965029 /nfs/dbraw/zinc/96/50/29/1064965029.db2.gz LISCBODJFXUOLA-MUUNZHRXSA-N 1 1 497.732 3.378 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001299772184 1064970742 /nfs/dbraw/zinc/97/07/42/1064970742.db2.gz DPBGLVSKHIZNJK-DEOSSOPVSA-N 1 1 461.582 3.112 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001299772184 1064970756 /nfs/dbraw/zinc/97/07/56/1064970756.db2.gz DPBGLVSKHIZNJK-DEOSSOPVSA-N 1 1 461.582 3.112 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(Br)s3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001299779252 1064978034 /nfs/dbraw/zinc/97/80/34/1064978034.db2.gz GIPHCSTZISZOCE-OAHLLOKOSA-N 1 1 484.464 3.495 20 0 JGADMO COC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001299780431 1064979106 /nfs/dbraw/zinc/97/91/06/1064979106.db2.gz SZMVQRZTEFAVSZ-IBGZPJMESA-N 1 1 478.435 3.170 20 0 JGADMO COC1(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299780890 1064979821 /nfs/dbraw/zinc/97/98/21/1064979821.db2.gz RUKPJPHLUVKVQM-IBGZPJMESA-N 1 1 464.655 3.348 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001299785435 1064983157 /nfs/dbraw/zinc/98/31/57/1064983157.db2.gz HYWDIDIURZRNSV-UHFFFAOYSA-N 1 1 484.428 3.500 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001299785435 1064983164 /nfs/dbraw/zinc/98/31/64/1064983164.db2.gz HYWDIDIURZRNSV-UHFFFAOYSA-N 1 1 484.428 3.500 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001299786466 1064983563 /nfs/dbraw/zinc/98/35/63/1064983563.db2.gz RSPVLLQBSLEKCR-UHFFFAOYSA-N 1 1 477.053 3.009 20 0 JGADMO COC1(Cn2c(C(C)C)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CCCCC1 ZINC001299794029 1064990645 /nfs/dbraw/zinc/99/06/45/1064990645.db2.gz AKLFJBFZIXPKJG-RBBKRZOGSA-N 1 1 460.667 3.130 20 0 JGADMO COC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC001299795439 1064991840 /nfs/dbraw/zinc/99/18/40/1064991840.db2.gz OFGLXVDOPBWGIE-OAQYLSRUSA-N 1 1 468.646 3.476 20 0 JGADMO COC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC(C)CC1 ZINC001299809512 1065004467 /nfs/dbraw/zinc/00/44/67/1065004467.db2.gz BUVYHYSHYIMQMM-VIHQBZHPSA-N 1 1 481.707 3.086 20 0 JGADMO COC1(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC001299816842 1065010771 /nfs/dbraw/zinc/01/07/71/1065010771.db2.gz DKTPQKVIOZYXAR-SZPZYZBQSA-N 1 1 473.666 3.034 20 0 JGADMO COC1(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC001299816842 1065010785 /nfs/dbraw/zinc/01/07/85/1065010785.db2.gz DKTPQKVIOZYXAR-SZPZYZBQSA-N 1 1 473.666 3.034 20 0 JGADMO COC1(OC)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C[C@@H]1O ZINC001299819266 1065012997 /nfs/dbraw/zinc/01/29/97/1065012997.db2.gz AMJPGYPAAJIFQT-ZRBLBEILSA-N 1 1 458.986 3.138 20 0 JGADMO COc1cc(C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001299835623 1065027357 /nfs/dbraw/zinc/02/73/57/1065027357.db2.gz YQUXKEYBZGFUCJ-UHFFFAOYSA-N 1 1 454.619 3.076 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2C[C@H]2C)cc(OC)c1OC ZINC001299841514 1065038529 /nfs/dbraw/zinc/03/85/29/1065038529.db2.gz WLEWFSIIZYTXKP-XSYGEPLQSA-N 1 1 473.618 3.172 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2C[C@H]2C)cc(OC)c1OC ZINC001299841514 1065038540 /nfs/dbraw/zinc/03/85/40/1065038540.db2.gz WLEWFSIIZYTXKP-XSYGEPLQSA-N 1 1 473.618 3.172 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299842639 1065039631 /nfs/dbraw/zinc/03/96/31/1065039631.db2.gz BGRDQHAAPPTEHB-BZSNNMDCSA-N 1 1 459.591 3.069 20 0 JGADMO COc1cc(-c2nnc(N3CCC(C)(C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299847530 1065049183 /nfs/dbraw/zinc/04/91/83/1065049183.db2.gz XVPZYEIQLIRZIJ-HXUWFJFHSA-N 1 1 487.645 3.444 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc(OC)c1OC ZINC001299847831 1065049706 /nfs/dbraw/zinc/04/97/06/1065049706.db2.gz FOJFIBWMDYQFBE-HOIFWPIMSA-N 1 1 473.618 3.315 20 0 JGADMO C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)[C@H](c2ccccc2)C1 ZINC001299849664 1065052151 /nfs/dbraw/zinc/05/21/51/1065052151.db2.gz MXXPOYPCPQZDPI-HBMCJLEFSA-N 1 1 455.986 3.029 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001299850242 1065053578 /nfs/dbraw/zinc/05/35/78/1065053578.db2.gz WUIGEXSIUGWPTB-NHTMILBNSA-N 1 1 457.640 3.150 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCn2cc[nH+]c2C)ccc1OC(C)C ZINC001299851638 1065057137 /nfs/dbraw/zinc/05/71/37/1065057137.db2.gz UXVIFMPEPLCITP-IBGZPJMESA-N 1 1 481.601 3.038 20 0 JGADMO COc1cc(-c2nnc(N3CCCCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc(OC)c1OC ZINC001299855026 1065063350 /nfs/dbraw/zinc/06/33/50/1065063350.db2.gz QIXRUJRXZDYAEN-UHFFFAOYSA-N 1 1 473.618 3.462 20 0 JGADMO COc1cc(-c2nnc(N3CCCCCC3)n2CC[N@H+]2CCOC(C)(C)C2)cc(OC)c1OC ZINC001299855026 1065063363 /nfs/dbraw/zinc/06/33/63/1065063363.db2.gz QIXRUJRXZDYAEN-UHFFFAOYSA-N 1 1 473.618 3.462 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCCOC(F)F)cc(OC)c1OC ZINC001299857058 1065066176 /nfs/dbraw/zinc/06/61/76/1065066176.db2.gz IUBKVIFFVIKMOA-QGZVFWFLSA-N 1 1 481.544 3.275 20 0 JGADMO COc1cc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1OC(C)C ZINC001299859386 1065072247 /nfs/dbraw/zinc/07/22/47/1065072247.db2.gz BETYVKPSUBFZJC-QFIPXVFZSA-N 1 1 489.686 3.430 20 0 JGADMO COc1cc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1 ZINC001299872204 1065091214 /nfs/dbraw/zinc/09/12/14/1065091214.db2.gz DYSGGEFVFGHEQC-QHCPKHFHSA-N 1 1 486.661 3.199 20 0 JGADMO COc1cc(Cn2c(CC(C)C)nnc2N2CC[C@](C)([NH+]3CCOCC3)C2)cc(Cl)c1OC ZINC001299886263 1065110362 /nfs/dbraw/zinc/11/03/62/1065110362.db2.gz QJTBDWADEJRNPI-DEOSSOPVSA-N 1 1 478.037 3.497 20 0 JGADMO COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC001299888488 1065113755 /nfs/dbraw/zinc/11/37/55/1065113755.db2.gz YNFXXKJDANKXFT-RZUBCFFCSA-N 1 1 457.619 3.083 20 0 JGADMO COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC001299888488 1065113758 /nfs/dbraw/zinc/11/37/58/1065113758.db2.gz YNFXXKJDANKXFT-RZUBCFFCSA-N 1 1 457.619 3.083 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C4CC4)n3CC(F)(F)Br)CC2)cc(OC)c1 ZINC001299892037 1065120481 /nfs/dbraw/zinc/12/04/81/1065120481.db2.gz FMBWVSFZWPVPMF-UHFFFAOYSA-N 1 1 486.361 3.483 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001299892496 1065121269 /nfs/dbraw/zinc/12/12/69/1065121269.db2.gz JFUDYRFOMIOSII-INIZCTEOSA-N 1 1 463.026 3.429 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC4CCCC4)n3C[C@@H](C)OC)CC2)cc(OC)c1 ZINC001299892916 1065122085 /nfs/dbraw/zinc/12/20/85/1065122085.db2.gz ODFRUTKCLPKRFU-LJQANCHMSA-N 1 1 457.619 3.385 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(-c4cccnc4)n3CC(F)(F)F)CC2)cc(OC)c1 ZINC001299893192 1065122655 /nfs/dbraw/zinc/12/26/55/1065122655.db2.gz RDYIPPKUJGRWSX-UHFFFAOYSA-N 1 1 462.476 3.242 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCO[C@@H]3CCOC3)CC2)cc(OC)c1 ZINC001299893634 1065123358 /nfs/dbraw/zinc/12/33/58/1065123358.db2.gz WWMNFFMQIALBNM-OAQYLSRUSA-N 1 1 487.645 3.111 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001299895730 1065128496 /nfs/dbraw/zinc/12/84/96/1065128496.db2.gz LEHIQJBXKVKAHU-MSOLQXFVSA-N 1 1 464.010 3.191 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCCn1cc[nH+]c1C ZINC001299898035 1065132550 /nfs/dbraw/zinc/13/25/50/1065132550.db2.gz KESYIVHYUXDNCQ-INIZCTEOSA-N 1 1 471.993 3.259 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1ccn(C)n1 ZINC001299898074 1065132564 /nfs/dbraw/zinc/13/25/64/1065132564.db2.gz LMWYABLWQPQYGD-HDICACEKSA-N 1 1 488.036 3.129 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1ccn(C)n1 ZINC001299898074 1065132572 /nfs/dbraw/zinc/13/25/72/1065132572.db2.gz LMWYABLWQPQYGD-HDICACEKSA-N 1 1 488.036 3.129 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCCNC(=O)C(C)C ZINC001299899508 1065134479 /nfs/dbraw/zinc/13/44/79/1065134479.db2.gz ACUHTZBDXNAMKJ-MJGOQNOKSA-N 1 1 475.037 3.442 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001299900656 1065135943 /nfs/dbraw/zinc/13/59/43/1065135943.db2.gz DSCWHRRRQKHRKK-ROUUACIJSA-N 1 1 475.037 3.287 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001299900654 1065136068 /nfs/dbraw/zinc/13/60/68/1065136068.db2.gz DSCWHRRRQKHRKK-MSOLQXFVSA-N 1 1 475.037 3.287 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001299901155 1065137301 /nfs/dbraw/zinc/13/73/01/1065137301.db2.gz IKUOKRHYXAVKGA-MRXNPFEDSA-N 1 1 461.010 3.183 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001299903113 1065141266 /nfs/dbraw/zinc/14/12/66/1065141266.db2.gz RDAMFWRKXDABDI-INIZCTEOSA-N 1 1 475.037 3.442 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001299907880 1065150433 /nfs/dbraw/zinc/15/04/33/1065150433.db2.gz NFAONFVTRUFTIF-ROUUACIJSA-N 1 1 475.037 3.396 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCCC(=O)N(C)C ZINC001299908068 1065151172 /nfs/dbraw/zinc/15/11/72/1065151172.db2.gz PRYPALVKFLJCCD-UHFFFAOYSA-N 1 1 463.026 3.396 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001299909042 1065154952 /nfs/dbraw/zinc/15/49/52/1065154952.db2.gz LRMOYAMXWROVTO-GOSISDBHSA-N 1 1 475.037 3.396 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001299909233 1065156219 /nfs/dbraw/zinc/15/62/19/1065156219.db2.gz REHYSTZFFRGEFD-HZPDHXFCSA-N 1 1 461.010 3.147 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCSCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001299910967 1065159914 /nfs/dbraw/zinc/15/99/14/1065159914.db2.gz CIHYBQGHIJJITG-UHFFFAOYSA-N 1 1 452.024 3.271 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCSCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001299910967 1065159921 /nfs/dbraw/zinc/15/99/21/1065159921.db2.gz CIHYBQGHIJJITG-UHFFFAOYSA-N 1 1 452.024 3.271 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCNC(=O)C(C)C ZINC001299911669 1065161255 /nfs/dbraw/zinc/16/12/55/1065161255.db2.gz ODUMDUDXQPBEOJ-LJQANCHMSA-N 1 1 475.037 3.444 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001299913697 1065165331 /nfs/dbraw/zinc/16/53/31/1065165331.db2.gz VMQVSFFPBAIIPE-DENIHFKCSA-N 1 1 466.051 3.252 20 0 JGADMO COc1cc(N(C)c2nnc(C(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC001299920830 1065172899 /nfs/dbraw/zinc/17/28/99/1065172899.db2.gz UONLOZXGBICQBJ-UHFFFAOYSA-N 1 1 474.650 3.395 20 0 JGADMO COc1cc(N(C)c2nnc(C(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299920830 1065172906 /nfs/dbraw/zinc/17/29/06/1065172906.db2.gz UONLOZXGBICQBJ-UHFFFAOYSA-N 1 1 474.650 3.395 20 0 JGADMO COc1cc(N(C)c2nnc(C(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299920830 1065172910 /nfs/dbraw/zinc/17/29/10/1065172910.db2.gz UONLOZXGBICQBJ-UHFFFAOYSA-N 1 1 474.650 3.395 20 0 JGADMO COc1cc(N(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(OC)c1OC ZINC001299923789 1065178621 /nfs/dbraw/zinc/17/86/21/1065178621.db2.gz ODYQPGXGCUWMKV-IBGZPJMESA-N 1 1 484.601 3.424 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001299931179 1065194191 /nfs/dbraw/zinc/19/41/91/1065194191.db2.gz ZKSJXJCGDFIPMZ-MRXNPFEDSA-N 1 1 472.615 3.084 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3c(C)noc3C)n2CCn2cc[nH+]c2C)c1 ZINC001299931396 1065195101 /nfs/dbraw/zinc/19/51/01/1065195101.db2.gz YUNJSUIEYMJPNP-UHFFFAOYSA-N 1 1 451.531 3.409 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCn3cccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299931855 1065196468 /nfs/dbraw/zinc/19/64/68/1065196468.db2.gz HLYDYSQSVQWGSP-UXHICEINSA-N 1 1 467.618 3.416 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001299932850 1065198467 /nfs/dbraw/zinc/19/84/67/1065198467.db2.gz YDVANPDWWLYMGA-UHFFFAOYSA-N 1 1 455.603 3.477 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001299936546 1065203758 /nfs/dbraw/zinc/20/37/58/1065203758.db2.gz OAMUDGJIIQQXHT-TZIWHRDSSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001299937872 1065205829 /nfs/dbraw/zinc/20/58/29/1065205829.db2.gz HNICJVFJJRNHDP-IBGZPJMESA-N 1 1 484.645 3.176 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299937843 1065205855 /nfs/dbraw/zinc/20/58/55/1065205855.db2.gz WVMIYVGXKHGYIK-OSWQYVSFSA-N 1 1 473.618 3.075 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001299938197 1065206491 /nfs/dbraw/zinc/20/64/91/1065206491.db2.gz XJXGPCSPPIUBCF-KURKYZTESA-N 1 1 461.632 3.013 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001299938197 1065206507 /nfs/dbraw/zinc/20/65/07/1065206507.db2.gz XJXGPCSPPIUBCF-KURKYZTESA-N 1 1 461.632 3.013 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(CO)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001299938411 1065207687 /nfs/dbraw/zinc/20/76/87/1065207687.db2.gz PKNRXCLYYIMDRJ-IBGZPJMESA-N 1 1 457.619 3.436 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299939250 1065208781 /nfs/dbraw/zinc/20/87/81/1065208781.db2.gz PTPFFLPODOMPPA-DWXRJYCRSA-N 1 1 484.645 3.175 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001299939379 1065209410 /nfs/dbraw/zinc/20/94/10/1065209410.db2.gz ZXIINBNCLLGADX-PMACEKPBSA-N 1 1 470.662 3.471 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001299942462 1065211866 /nfs/dbraw/zinc/21/18/66/1065211866.db2.gz PSUSHFLIUCZADO-HXUWFJFHSA-N 1 1 498.628 3.328 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001299946697 1065221918 /nfs/dbraw/zinc/22/19/18/1065221918.db2.gz LYZZBWYSCDWQSO-DFBJGRDBSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001299946699 1065221932 /nfs/dbraw/zinc/22/19/32/1065221932.db2.gz LYZZBWYSCDWQSO-UQBPGWFLSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001299950328 1065225947 /nfs/dbraw/zinc/22/59/47/1065225947.db2.gz MWVMSGIYYKAOID-IBGZPJMESA-N 1 1 499.660 3.077 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001299957105 1065235668 /nfs/dbraw/zinc/23/56/68/1065235668.db2.gz HWXJZPVDXSLOPO-DYESRHJHSA-N 1 1 491.658 3.086 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001299957105 1065235675 /nfs/dbraw/zinc/23/56/75/1065235675.db2.gz HWXJZPVDXSLOPO-DYESRHJHSA-N 1 1 491.658 3.086 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CCCn2cc[nH+]c2C)c1 ZINC001299967833 1065250994 /nfs/dbraw/zinc/25/09/94/1065250994.db2.gz VULCMBDAVZGFDY-AWEZNQCLSA-N 1 1 490.406 3.012 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC[C@@H](OC)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001299974854 1065266612 /nfs/dbraw/zinc/26/66/12/1065266612.db2.gz BYTOGGWWNLNZOX-QGZVFWFLSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001299983376 1065284413 /nfs/dbraw/zinc/28/44/13/1065284413.db2.gz GOVWIMGDYMMHHF-SFHVURJKSA-N 1 1 498.031 3.364 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001299986964 1065289013 /nfs/dbraw/zinc/28/90/13/1065289013.db2.gz NGPQINAOJVHOPW-QFIPXVFZSA-N 1 1 494.688 3.372 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001299986964 1065289024 /nfs/dbraw/zinc/28/90/24/1065289024.db2.gz NGPQINAOJVHOPW-QFIPXVFZSA-N 1 1 494.688 3.372 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001299986964 1065289034 /nfs/dbraw/zinc/28/90/34/1065289034.db2.gz NGPQINAOJVHOPW-QFIPXVFZSA-N 1 1 494.688 3.372 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001299987726 1065290466 /nfs/dbraw/zinc/29/04/66/1065290466.db2.gz VCJXPNQZTISEQD-IRFCIJBXSA-N 1 1 475.659 3.118 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCO[C@H]2CCOC2)CC1 ZINC001299990767 1065294586 /nfs/dbraw/zinc/29/45/86/1065294586.db2.gz NIFOWYGOTGQZIL-QFIPXVFZSA-N 1 1 457.619 3.236 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(C)C)CC1 ZINC001299991202 1065296064 /nfs/dbraw/zinc/29/60/64/1065296064.db2.gz UYFXNWNRDNFIRI-OAQYLSRUSA-N 1 1 486.686 3.258 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001299991439 1065296811 /nfs/dbraw/zinc/29/68/11/1065296811.db2.gz VSXVBFOVKANBTR-PZJWPPBQSA-N 1 1 472.609 3.194 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C3CCC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001299991491 1065296962 /nfs/dbraw/zinc/29/69/62/1065296962.db2.gz XABRFEKKKVSLIB-UHFFFAOYSA-N 1 1 468.646 3.490 20 0 JGADMO COc1ccc(-c2nnc(N(C)C3CCC(C)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)c(OC)c1 ZINC001299995641 1065303192 /nfs/dbraw/zinc/30/31/92/1065303192.db2.gz SALYHUBKDRUZCW-UHFFFAOYSA-N 1 1 484.645 3.141 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001299997092 1065306840 /nfs/dbraw/zinc/30/68/40/1065306840.db2.gz CKMJNAHEHWOPQS-IBGZPJMESA-N 1 1 472.634 3.044 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2C[C@@H]2C)c(OC)c1 ZINC001299997460 1065308317 /nfs/dbraw/zinc/30/83/17/1065308317.db2.gz JPRCLUYPFLZOPR-OALUTQOASA-N 1 1 457.619 3.413 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCC2(O)CCC2)cc1 ZINC001299997692 1065308449 /nfs/dbraw/zinc/30/84/49/1065308449.db2.gz MNJIJIZPOGWBMZ-UHFFFAOYSA-N 1 1 457.619 3.053 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c(=O)n1C ZINC001492199003 1065311712 /nfs/dbraw/zinc/31/17/12/1065311712.db2.gz LCTDGKAGWJPZHD-UHFFFAOYSA-N 1 1 499.059 3.125 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c(=O)n1C ZINC001492199003 1065311727 /nfs/dbraw/zinc/31/17/27/1065311727.db2.gz LCTDGKAGWJPZHD-UHFFFAOYSA-N 1 1 499.059 3.125 20 0 JGADMO Cc1ccc(N(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492217503 1065327932 /nfs/dbraw/zinc/32/79/32/1065327932.db2.gz OVUBLQPPBGNSCV-PMACEKPBSA-N 1 1 454.619 3.478 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001492238487 1065332878 /nfs/dbraw/zinc/33/28/78/1065332878.db2.gz RCOFNRKXHOFZNV-GOSISDBHSA-N 1 1 464.618 3.249 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)cc1 ZINC001492233058 1065333607 /nfs/dbraw/zinc/33/36/07/1065333607.db2.gz UULWPYDHBXQPJF-DEOSSOPVSA-N 1 1 495.716 3.444 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001492240000 1065337459 /nfs/dbraw/zinc/33/74/59/1065337459.db2.gz AXDPTIDQIUJOIV-FQEVSTJZSA-N 1 1 451.575 3.215 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2C[C@H]2C)cc1C ZINC001492241543 1065340591 /nfs/dbraw/zinc/34/05/91/1065340591.db2.gz YBFIFMDJUZTKTQ-WOJBJXKFSA-N 1 1 454.619 3.350 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2C[C@H]2C)cc1C ZINC001492241543 1065340600 /nfs/dbraw/zinc/34/06/00/1065340600.db2.gz YBFIFMDJUZTKTQ-WOJBJXKFSA-N 1 1 454.619 3.350 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492250371 1065349903 /nfs/dbraw/zinc/34/99/03/1065349903.db2.gz MFWUYYMSQIUDPX-RXVVDRJESA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492253341 1065353402 /nfs/dbraw/zinc/35/34/02/1065353402.db2.gz DVNNSGKFPZEUGD-OALUTQOASA-N 1 1 454.619 3.352 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492265710 1065358131 /nfs/dbraw/zinc/35/81/31/1065358131.db2.gz DFNBKPULGWVKJE-DEOSSOPVSA-N 1 1 497.688 3.179 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)CN2CCOCC2)cc1C ZINC001492265807 1065358839 /nfs/dbraw/zinc/35/88/39/1065358839.db2.gz KEGXBTVZNIPNLX-NRFANRHFSA-N 1 1 497.688 3.036 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2([S@](C)=O)CCC2)cc1C ZINC001492265895 1065358896 /nfs/dbraw/zinc/35/88/96/1065358896.db2.gz GQMXCMTZGDJTHE-UMSFTDKQSA-N 1 1 486.686 3.226 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCN2CC=CCC2)cc1C ZINC001492265962 1065360460 /nfs/dbraw/zinc/36/04/60/1065360460.db2.gz LLYOCSHJMGEPRI-UHFFFAOYSA-N 1 1 465.646 3.330 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCN2CC=CCC2)cc1C ZINC001492265962 1065360475 /nfs/dbraw/zinc/36/04/75/1065360475.db2.gz LLYOCSHJMGEPRI-UHFFFAOYSA-N 1 1 465.646 3.330 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2[C@@H]2C[C@H]2CF)cc1C ZINC001492267141 1065363087 /nfs/dbraw/zinc/36/30/87/1065363087.db2.gz OTGGRGTTXGQJLO-PZJWPPBQSA-N 1 1 458.582 3.225 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001492273335 1065366184 /nfs/dbraw/zinc/36/61/84/1065366184.db2.gz CRFJVGIWXOUNNC-NRFANRHFSA-N 1 1 497.644 3.346 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)C2)nc1 ZINC001492276163 1065370562 /nfs/dbraw/zinc/37/05/62/1065370562.db2.gz NWQSAUNRDIGLEM-FGZHOGPDSA-N 1 1 497.688 3.371 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001492310017 1065389310 /nfs/dbraw/zinc/38/93/10/1065389310.db2.gz BJQXIIJOSSWNLW-IRLDBZIGSA-N 1 1 489.686 3.360 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001492310017 1065389314 /nfs/dbraw/zinc/38/93/14/1065389314.db2.gz BJQXIIJOSSWNLW-IRLDBZIGSA-N 1 1 489.686 3.360 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001492325529 1065397603 /nfs/dbraw/zinc/39/76/03/1065397603.db2.gz OBRKIMMANNSATB-IBGZPJMESA-N 1 1 488.036 3.157 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001492324686 1065397710 /nfs/dbraw/zinc/39/77/10/1065397710.db2.gz BJQJRZNTCHCHIS-UHFFFAOYSA-N 1 1 488.036 3.300 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001492324715 1065397730 /nfs/dbraw/zinc/39/77/30/1065397730.db2.gz CKCCGKOIEHZPBR-UHFFFAOYSA-N 1 1 488.036 3.300 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001492324715 1065397738 /nfs/dbraw/zinc/39/77/38/1065397738.db2.gz CKCCGKOIEHZPBR-UHFFFAOYSA-N 1 1 488.036 3.300 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCCOC(F)(F)F)cc1 ZINC001492336568 1065403478 /nfs/dbraw/zinc/40/34/78/1065403478.db2.gz BLYDYQAWTPLKIV-ICSRJNTNSA-N 1 1 483.535 3.249 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2nccnc2C)cc1C ZINC001492337589 1065405292 /nfs/dbraw/zinc/40/52/92/1065405292.db2.gz NEQUMMWRVBZPKK-SZPZYZBQSA-N 1 1 493.656 3.360 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2nccnc2C)cc1C ZINC001492337589 1065405295 /nfs/dbraw/zinc/40/52/95/1065405295.db2.gz NEQUMMWRVBZPKK-SZPZYZBQSA-N 1 1 493.656 3.360 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)cc1C ZINC001492337783 1065405371 /nfs/dbraw/zinc/40/53/71/1065405371.db2.gz JCKIMTCTPMGLGJ-NRFANRHFSA-N 1 1 468.646 3.263 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001492339528 1065407743 /nfs/dbraw/zinc/40/77/43/1065407743.db2.gz OOCJKBIXNVYJMB-FGZHOGPDSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492353744 1065416236 /nfs/dbraw/zinc/41/62/36/1065416236.db2.gz KOZNSQYKIYENAM-SFTDATJTSA-N 1 1 468.646 3.378 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC001492353830 1065417127 /nfs/dbraw/zinc/41/71/27/1065417127.db2.gz NBGNMQKVXJUARI-JOCHJYFZSA-N 1 1 489.686 3.157 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(Cn4ccnn4)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001492353795 1065417184 /nfs/dbraw/zinc/41/71/84/1065417184.db2.gz MFHLAPRZWZLJEG-UHFFFAOYSA-N 1 1 452.607 3.014 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cnnn2C)cc1C ZINC001492353887 1065417240 /nfs/dbraw/zinc/41/72/40/1065417240.db2.gz PAAKNKIQJBPBET-UHFFFAOYSA-N 1 1 466.634 3.207 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001492358479 1065419920 /nfs/dbraw/zinc/41/99/20/1065419920.db2.gz AYUUNMDERUQCHX-NRFANRHFSA-N 1 1 454.619 3.097 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001492363364 1065424258 /nfs/dbraw/zinc/42/42/58/1065424258.db2.gz ISOPYLAJAHORDN-JTHBVZDNSA-N 1 1 489.686 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CC(=O)N(C)C)cc1 ZINC001492369724 1065430358 /nfs/dbraw/zinc/43/03/58/1065430358.db2.gz APEXNZRCZBVSTR-VXKWHMMOSA-N 1 1 468.646 3.345 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372418 1065438081 /nfs/dbraw/zinc/43/80/81/1065438081.db2.gz ZQZHCDZIGSIXPT-VXKWHMMOSA-N 1 1 489.686 3.301 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CCC(C)C)cc1 ZINC001492377206 1065440704 /nfs/dbraw/zinc/44/07/04/1065440704.db2.gz MUXKFQPTYJMXPM-UHFFFAOYSA-N 1 1 468.646 3.346 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CCC(C)C)cc1 ZINC001492377206 1065440709 /nfs/dbraw/zinc/44/07/09/1065440709.db2.gz MUXKFQPTYJMXPM-UHFFFAOYSA-N 1 1 468.646 3.346 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001492393823 1065465964 /nfs/dbraw/zinc/46/59/64/1065465964.db2.gz MTTXZHXBVJFJDC-FQEVSTJZSA-N 1 1 497.562 3.352 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCOC[C@@H]3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492399807 1065468536 /nfs/dbraw/zinc/46/85/36/1065468536.db2.gz CUEIXPRRYRLMPQ-GMAHTHKFSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492401017 1065469975 /nfs/dbraw/zinc/46/99/75/1065469975.db2.gz KUDNSERKCYDYTJ-OAQYLSRUSA-N 1 1 459.660 3.246 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC001492445982 1065500326 /nfs/dbraw/zinc/50/03/26/1065500326.db2.gz MTJBKBCGNFTLGZ-LJQANCHMSA-N 1 1 456.660 3.324 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2CCC[NH+]2CCOCC2)cc1 ZINC001492446003 1065500455 /nfs/dbraw/zinc/50/04/55/1065500455.db2.gz NOHYLDZLIAQGST-UHFFFAOYSA-N 1 1 453.616 3.028 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCOC2)cc1 ZINC001492448949 1065502090 /nfs/dbraw/zinc/50/20/90/1065502090.db2.gz NSRRXMAYDFWAAI-FQEVSTJZSA-N 1 1 459.660 3.462 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCOC2)cc1 ZINC001492448949 1065502103 /nfs/dbraw/zinc/50/21/03/1065502103.db2.gz NSRRXMAYDFWAAI-FQEVSTJZSA-N 1 1 459.660 3.462 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCC3CCOCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492449171 1065502215 /nfs/dbraw/zinc/50/22/15/1065502215.db2.gz QXEGMZWDBXWIHK-XMMPIXPASA-N 1 1 459.660 3.198 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001492468213 1065515910 /nfs/dbraw/zinc/51/59/10/1065515910.db2.gz XXAPDJKSAVITDO-FQEVSTJZSA-N 1 1 471.675 3.165 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001492468214 1065515996 /nfs/dbraw/zinc/51/59/96/1065515996.db2.gz XXAPDJKSAVITDO-HXUWFJFHSA-N 1 1 471.675 3.165 20 0 JGADMO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[N@H+]1CCCC[C@H]1C ZINC001492470526 1065520561 /nfs/dbraw/zinc/52/05/61/1065520561.db2.gz RDVDSNZWOVZCBM-RTBURBONSA-N 1 1 460.648 3.155 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001300795358 1065525484 /nfs/dbraw/zinc/52/54/84/1065525484.db2.gz NWUSBZCPYISJQM-PDOICOKGSA-N 1 1 495.466 3.396 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC[C@H]1C ZINC001300827302 1065556157 /nfs/dbraw/zinc/55/61/57/1065556157.db2.gz SAJLZEDDLAFXIV-DNVFCKCGSA-N 1 1 477.600 3.365 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001300838897 1065574605 /nfs/dbraw/zinc/57/46/05/1065574605.db2.gz PPIXJOJIVSMBPR-JTHBVZDNSA-N 1 1 457.619 3.057 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC001300839129 1065575298 /nfs/dbraw/zinc/57/52/98/1065575298.db2.gz BKHHLGGKKYVNNK-JTHBVZDNSA-N 1 1 471.646 3.182 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300840740 1065578551 /nfs/dbraw/zinc/57/85/51/1065578551.db2.gz WNHNZNFSPAHSMM-RBBKRZOGSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC[C@@H]1C ZINC001300840740 1065578558 /nfs/dbraw/zinc/57/85/58/1065578558.db2.gz WNHNZNFSPAHSMM-RBBKRZOGSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC[C@H]1C ZINC001300845876 1065588357 /nfs/dbraw/zinc/58/83/57/1065588357.db2.gz YLQQXFIXNDNLNY-WMTXJRDZSA-N 1 1 471.646 3.303 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC[C@@H]1C ZINC001300845874 1065588411 /nfs/dbraw/zinc/58/84/11/1065588411.db2.gz YLQQXFIXNDNLNY-AOHZBQACSA-N 1 1 471.646 3.303 20 0 JGADMO CO[C@@H]1COCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300865051 1065628032 /nfs/dbraw/zinc/62/80/32/1065628032.db2.gz KDBCNTQXUNXGSN-FYYLOGMGSA-N 1 1 492.064 3.121 20 0 JGADMO CO[C@H]1COCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300868993 1065635744 /nfs/dbraw/zinc/63/57/44/1065635744.db2.gz GGTNHALDQXBICK-GMAHTHKFSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@H]1COCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300868992 1065635811 /nfs/dbraw/zinc/63/58/11/1065635811.db2.gz GGTNHALDQXBICK-GGAORHGYSA-N 1 1 457.619 3.138 20 0 JGADMO COCC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001300883235 1065670436 /nfs/dbraw/zinc/67/04/36/1065670436.db2.gz VWEBRWBHBHLQTK-FQEVSTJZSA-N 1 1 489.064 3.406 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300904909 1065704689 /nfs/dbraw/zinc/70/46/89/1065704689.db2.gz XFSPPNCGVGJKMG-OYRHEFFESA-N 1 1 498.672 3.053 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001300904923 1065704801 /nfs/dbraw/zinc/70/48/01/1065704801.db2.gz XLRGMTSTTDKWDB-UHFFFAOYSA-N 1 1 493.439 3.245 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001300910039 1065707280 /nfs/dbraw/zinc/70/72/80/1065707280.db2.gz APGSSHYWOAEMSV-UHFFFAOYSA-N 1 1 489.064 3.128 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC001300910114 1065707717 /nfs/dbraw/zinc/70/77/17/1065707717.db2.gz CQARZHBWZKSPFK-UHFFFAOYSA-N 1 1 497.619 3.280 20 0 JGADMO COCC(C)(C)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001300915157 1065715148 /nfs/dbraw/zinc/71/51/48/1065715148.db2.gz SDUUNOFUGXNISZ-QHCPKHFHSA-N 1 1 498.672 3.149 20 0 JGADMO COCC(C)(C)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001300920386 1065719648 /nfs/dbraw/zinc/71/96/48/1065719648.db2.gz NQPPPRJPYDRADJ-NRFANRHFSA-N 1 1 460.667 3.131 20 0 JGADMO COCC(C)(C)CCCn1c(-c2cccn2C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300920234 1065719775 /nfs/dbraw/zinc/71/97/75/1065719775.db2.gz NAGVRFZNBUUJRG-UHFFFAOYSA-N 1 1 468.650 3.182 20 0 JGADMO COCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001300932233 1065732108 /nfs/dbraw/zinc/73/21/08/1065732108.db2.gz RHSDPBLRIYMGOE-FQEVSTJZSA-N 1 1 475.037 3.209 20 0 JGADMO COCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300943917 1065746623 /nfs/dbraw/zinc/74/66/23/1065746623.db2.gz VSCBLSVCAJCGHE-UHFFFAOYSA-N 1 1 487.599 3.266 20 0 JGADMO COC[C@@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001300968140 1065776839 /nfs/dbraw/zinc/77/68/39/1065776839.db2.gz ZVEYWVPOJJRAOF-AOMKIAJQSA-N 1 1 496.425 3.430 20 0 JGADMO COC[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300968222 1065777413 /nfs/dbraw/zinc/77/74/13/1065777413.db2.gz XSRTZNASGPETRT-SLFFLAALSA-N 1 1 454.619 3.265 20 0 JGADMO COC[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300968222 1065777421 /nfs/dbraw/zinc/77/74/21/1065777421.db2.gz XSRTZNASGPETRT-SLFFLAALSA-N 1 1 454.619 3.265 20 0 JGADMO COC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)OC ZINC001301003842 1065833571 /nfs/dbraw/zinc/83/35/71/1065833571.db2.gz OKIDOAJRDBEQED-QFIPXVFZSA-N 1 1 473.662 3.451 20 0 JGADMO COC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)OC ZINC001301003842 1065833582 /nfs/dbraw/zinc/83/35/82/1065833582.db2.gz OKIDOAJRDBEQED-QFIPXVFZSA-N 1 1 473.662 3.451 20 0 JGADMO COC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)OC ZINC001301034292 1065875834 /nfs/dbraw/zinc/87/58/34/1065875834.db2.gz NHDOIJKFNNUXCZ-RBBKRZOGSA-N 1 1 489.686 3.230 20 0 JGADMO COC[C@@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301036270 1065878378 /nfs/dbraw/zinc/87/83/78/1065878378.db2.gz CLQHAYSECOROME-XLIONFOSSA-N 1 1 493.027 3.157 20 0 JGADMO COC[C@H](F)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001301040876 1065883630 /nfs/dbraw/zinc/88/36/30/1065883630.db2.gz OHYIXJAURVSXTC-RLLQIKCJSA-N 1 1 482.000 3.194 20 0 JGADMO COC[C@H](F)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001301040876 1065883639 /nfs/dbraw/zinc/88/36/39/1065883639.db2.gz OHYIXJAURVSXTC-RLLQIKCJSA-N 1 1 482.000 3.194 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301052342 1065900546 /nfs/dbraw/zinc/90/05/46/1065900546.db2.gz CIBGOIXDHDKFOL-DJIMGWMZSA-N 1 1 482.398 3.374 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301052344 1065901271 /nfs/dbraw/zinc/90/12/71/1065901271.db2.gz CIBGOIXDHDKFOL-OIISXLGYSA-N 1 1 482.398 3.374 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001301054585 1065904756 /nfs/dbraw/zinc/90/47/56/1065904756.db2.gz SIJYXRXWJPYRDP-FQEVSTJZSA-N 1 1 470.593 3.272 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001301056632 1065907444 /nfs/dbraw/zinc/90/74/44/1065907444.db2.gz NXKMPGPQCDKZAP-QFIPXVFZSA-N 1 1 455.582 3.012 20 0 JGADMO COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001301056767 1065908290 /nfs/dbraw/zinc/90/82/90/1065908290.db2.gz OFCDEDDUHGHQJJ-OAQYLSRUSA-N 1 1 453.566 3.068 20 0 JGADMO COC[C@H](F)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001301067655 1065918649 /nfs/dbraw/zinc/91/86/49/1065918649.db2.gz IOTNEPOMFSVZNL-MRXNPFEDSA-N 1 1 450.609 3.002 20 0 JGADMO COC[C@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001301079783 1065929625 /nfs/dbraw/zinc/92/96/25/1065929625.db2.gz XTGCDRBXUXRLQJ-PKTZIBPZSA-N 1 1 469.609 3.225 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001301094043 1065942012 /nfs/dbraw/zinc/94/20/12/1065942012.db2.gz CCXQYQRCPBRIEZ-UHFFFAOYSA-N 1 1 481.645 3.175 20 0 JGADMO COCC1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001301096535 1065943407 /nfs/dbraw/zinc/94/34/07/1065943407.db2.gz IRYRXADFHZHBOQ-LJQANCHMSA-N 1 1 477.600 3.368 20 0 JGADMO COCC1(C)CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001301098110 1065945005 /nfs/dbraw/zinc/94/50/05/1065945005.db2.gz CQMIMOYDOGSMTB-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO COCC1(C)CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301098110 1065945013 /nfs/dbraw/zinc/94/50/13/1065945013.db2.gz CQMIMOYDOGSMTB-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO COCC1(C)CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301098110 1065945021 /nfs/dbraw/zinc/94/50/21/1065945021.db2.gz CQMIMOYDOGSMTB-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO C=Cc1ccc(CCn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001301099737 1065946936 /nfs/dbraw/zinc/94/69/36/1065946936.db2.gz IBBGBBJHTCXAJT-QHCPKHFHSA-N 1 1 453.631 3.462 20 0 JGADMO COCC1(Cn2c(Cc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CCOCC1 ZINC001301141218 1065979305 /nfs/dbraw/zinc/97/93/05/1065979305.db2.gz BSSBPHFLFCWMPP-UHFFFAOYSA-N 1 1 459.610 3.372 20 0 JGADMO COCc1cc(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1F ZINC001301157772 1065994141 /nfs/dbraw/zinc/99/41/41/1065994141.db2.gz XKMLNUIPFHHSSM-UHFFFAOYSA-N 1 1 482.604 3.145 20 0 JGADMO COCc1cc(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1F ZINC001301157772 1065994151 /nfs/dbraw/zinc/99/41/51/1065994151.db2.gz XKMLNUIPFHHSSM-UHFFFAOYSA-N 1 1 482.604 3.145 20 0 JGADMO COCc1ccc(Cn2c(N3C[C@H](C)[C@H]([N@H+]4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)cc1 ZINC001301165338 1066001481 /nfs/dbraw/zinc/00/14/81/1066001481.db2.gz XBCONWFMJUMJHA-GBXCKJPGSA-N 1 1 482.673 3.149 20 0 JGADMO COCc1cccc(Cn2c(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)c1 ZINC001301172622 1066006535 /nfs/dbraw/zinc/00/65/35/1066006535.db2.gz XPMJONSNEHHIHW-DEOSSOPVSA-N 1 1 484.689 3.002 20 0 JGADMO COCc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301174073 1066007491 /nfs/dbraw/zinc/00/74/91/1066007491.db2.gz KYHUHUHNJYWPMR-OYRHEFFESA-N 1 1 464.614 3.389 20 0 JGADMO COCc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301174073 1066007501 /nfs/dbraw/zinc/00/75/01/1066007501.db2.gz KYHUHUHNJYWPMR-OYRHEFFESA-N 1 1 464.614 3.389 20 0 JGADMO COCC1=CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001301188318 1066018003 /nfs/dbraw/zinc/01/80/03/1066018003.db2.gz MUYKLNGKJFMAMS-UHFFFAOYSA-N 1 1 468.646 3.010 20 0 JGADMO COCc1nc(Cn2c(Cc3cccnc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cs1 ZINC001301212977 1066036510 /nfs/dbraw/zinc/03/65/10/1066036510.db2.gz RGBZJUISYXVSCS-UHFFFAOYSA-N 1 1 455.632 3.226 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001301228668 1066047701 /nfs/dbraw/zinc/04/77/01/1066047701.db2.gz UHFHZHONOHWMGM-NRFANRHFSA-N 1 1 460.667 3.422 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301255877 1066071030 /nfs/dbraw/zinc/07/10/30/1066071030.db2.gz IGLVMHGAAJOYLV-RBBKRZOGSA-N 1 1 477.613 3.309 20 0 JGADMO COC[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001301260572 1066075003 /nfs/dbraw/zinc/07/50/03/1066075003.db2.gz BNDZZIOGGDPUAM-PCCBWWKXSA-N 1 1 475.609 3.388 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301260766 1066075845 /nfs/dbraw/zinc/07/58/45/1066075845.db2.gz GAYSKLKYDYBCKI-ZWKOTPCHSA-N 1 1 478.435 3.291 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCOCC2)C1 ZINC001301266049 1066081810 /nfs/dbraw/zinc/08/18/10/1066081810.db2.gz OJBWBDJVTYKCDT-MRXNPFEDSA-N 1 1 484.464 3.354 20 0 JGADMO COCC1CCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001301289597 1066097194 /nfs/dbraw/zinc/09/71/94/1066097194.db2.gz FMNGGZOWUDPKCH-UHFFFAOYSA-N 1 1 455.651 3.046 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301293925 1066098882 /nfs/dbraw/zinc/09/88/82/1066098882.db2.gz DKSLPFBWHAUMHK-GOSISDBHSA-N 1 1 491.478 3.206 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301293925 1066098894 /nfs/dbraw/zinc/09/88/94/1066098894.db2.gz DKSLPFBWHAUMHK-GOSISDBHSA-N 1 1 491.478 3.206 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301293925 1066098898 /nfs/dbraw/zinc/09/88/98/1066098898.db2.gz DKSLPFBWHAUMHK-GOSISDBHSA-N 1 1 491.478 3.206 20 0 JGADMO COC[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCOCC2)C1 ZINC001301298050 1066104549 /nfs/dbraw/zinc/10/45/49/1066104549.db2.gz QVPGOKICHGGEPE-YADHBBJMSA-N 1 1 457.619 3.230 20 0 JGADMO COC[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCOCC2)C1 ZINC001301298046 1066104632 /nfs/dbraw/zinc/10/46/32/1066104632.db2.gz QVPGOKICHGGEPE-FGZHOGPDSA-N 1 1 457.619 3.230 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301306513 1066110282 /nfs/dbraw/zinc/11/02/82/1066110282.db2.gz FZIIIJYXNHPRMR-INIZCTEOSA-N 1 1 496.425 3.430 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301306513 1066110287 /nfs/dbraw/zinc/11/02/87/1066110287.db2.gz FZIIIJYXNHPRMR-INIZCTEOSA-N 1 1 496.425 3.430 20 0 JGADMO COCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301322854 1066118979 /nfs/dbraw/zinc/11/89/79/1066118979.db2.gz GKVNYPVNMHWNEL-UHFFFAOYSA-N 1 1 463.573 3.121 20 0 JGADMO COCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301322854 1066118987 /nfs/dbraw/zinc/11/89/87/1066118987.db2.gz GKVNYPVNMHWNEL-UHFFFAOYSA-N 1 1 463.573 3.121 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001301359752 1066151040 /nfs/dbraw/zinc/15/10/40/1066151040.db2.gz QGIUZSWYVDPFAH-SJLPKXTDSA-N 1 1 481.439 3.008 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC001301360646 1066153307 /nfs/dbraw/zinc/15/33/07/1066153307.db2.gz TZWNKSQQYVSOTM-QINHECLXSA-N 1 1 465.545 3.269 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H](C)O1 ZINC001301369944 1066164401 /nfs/dbraw/zinc/16/44/01/1066164401.db2.gz VIMSGOBKUSQZMO-RLLQIKCJSA-N 1 1 496.027 3.215 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001301371729 1066165738 /nfs/dbraw/zinc/16/57/38/1066165738.db2.gz ZCGPEUWSSFFBOF-BQFCYCMXSA-N 1 1 484.428 3.213 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001301371997 1066165995 /nfs/dbraw/zinc/16/59/95/1066165995.db2.gz DSIXGFXGSUASQT-FPOVZHCZSA-N 1 1 452.603 3.464 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001301371999 1066166020 /nfs/dbraw/zinc/16/60/20/1066166020.db2.gz DSIXGFXGSUASQT-PZJWPPBQSA-N 1 1 452.603 3.464 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301378310 1066171653 /nfs/dbraw/zinc/17/16/53/1066171653.db2.gz TUWMBFMLNOIAIZ-YKSBVNFPSA-N 1 1 464.614 3.469 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301387517 1066174215 /nfs/dbraw/zinc/17/42/15/1066174215.db2.gz MLFWZAJLYCGLFD-UGKGYDQZSA-N 1 1 459.610 3.370 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC001301396360 1066177465 /nfs/dbraw/zinc/17/74/65/1066177465.db2.gz JSYXSKIBUGCDQZ-KAGYGMCKSA-N 1 1 459.610 3.369 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC001301396894 1066177888 /nfs/dbraw/zinc/17/78/88/1066177888.db2.gz OFOZUTZGXCFQCC-XJUOHMSHSA-N 1 1 456.635 3.159 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301397712 1066178554 /nfs/dbraw/zinc/17/85/54/1066178554.db2.gz SZIMAVKZLIFBQD-PXDATVDWSA-N 1 1 478.641 3.393 20 0 JGADMO COC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001301402711 1066183585 /nfs/dbraw/zinc/18/35/85/1066183585.db2.gz KODKLJWTHSRYAI-QHCPKHFHSA-N 1 1 471.646 3.046 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301404454 1066186400 /nfs/dbraw/zinc/18/64/00/1066186400.db2.gz FFHGRXBIDGOOJJ-YADHBBJMSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301404448 1066186496 /nfs/dbraw/zinc/18/64/96/1066186496.db2.gz FFHGRXBIDGOOJJ-FCHUYYIVSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301405068 1066187573 /nfs/dbraw/zinc/18/75/73/1066187573.db2.gz IKCSEIBZYWPBLO-CKUXNOBLSA-N 1 1 471.646 3.446 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+](C)C2CCCC2)CCO1 ZINC001301406031 1066188127 /nfs/dbraw/zinc/18/81/27/1066188127.db2.gz KQESJSBVNBWRLO-QHCPKHFHSA-N 1 1 457.619 3.200 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301409788 1066195954 /nfs/dbraw/zinc/19/59/54/1066195954.db2.gz KPZCFZKIGGPOOI-YADHBBJMSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001301414247 1066203715 /nfs/dbraw/zinc/20/37/15/1066203715.db2.gz MZADCVIMZVUJIW-GXRSIYKFSA-N 1 1 463.667 3.313 20 0 JGADMO COCCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001301429986 1066227740 /nfs/dbraw/zinc/22/77/40/1066227740.db2.gz KEOIMPFDPMDNQY-UHFFFAOYSA-N 1 1 453.635 3.500 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301947676 1066239092 /nfs/dbraw/zinc/23/90/92/1066239092.db2.gz CBQODVZPKAIWKH-QFIPXVFZSA-N 1 1 488.702 3.498 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301437751 1066239469 /nfs/dbraw/zinc/23/94/69/1066239469.db2.gz MCPXNSRCQKYVCX-JTSKRJEESA-N 1 1 496.425 3.309 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301954715 1066258233 /nfs/dbraw/zinc/25/82/33/1066258233.db2.gz QJNAWXNDJRWNPB-WOJBJXKFSA-N 1 1 488.702 3.030 20 0 JGADMO COCC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301448101 1066261689 /nfs/dbraw/zinc/26/16/89/1066261689.db2.gz AZKLZRXMYHJAIH-DEOSSOPVSA-N 1 1 473.618 3.179 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001301453516 1066269933 /nfs/dbraw/zinc/26/99/33/1066269933.db2.gz USZZCXUGBALPAG-KJOQGJGQSA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001301453515 1066269980 /nfs/dbraw/zinc/26/99/80/1066269980.db2.gz USZZCXUGBALPAG-JJTGBXKASA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001301454398 1066271723 /nfs/dbraw/zinc/27/17/23/1066271723.db2.gz ZUVMBCAWYSKCHS-MHZLTWQESA-N 1 1 494.640 3.075 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001301979247 1066285346 /nfs/dbraw/zinc/28/53/46/1066285346.db2.gz CQXXDJFEDQNXGR-SFHVURJKSA-N 1 1 483.617 3.333 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001301986479 1066299560 /nfs/dbraw/zinc/29/95/60/1066299560.db2.gz YAFXYRBBMYKABG-BHIFYINESA-N 1 1 471.646 3.365 20 0 JGADMO CC(C)(C)OC(=O)NCC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC(O)C1 ZINC001301486164 1066309301 /nfs/dbraw/zinc/30/93/01/1066309301.db2.gz MPCSCJGMWOYCQR-XHHNVCIESA-N 1 1 457.615 3.071 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cs1 ZINC001301485885 1066309392 /nfs/dbraw/zinc/30/93/92/1066309392.db2.gz CSSOJAKFCNOOCT-USXIJHARSA-N 1 1 450.605 3.102 20 0 JGADMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC001301487680 1066310886 /nfs/dbraw/zinc/31/08/86/1066310886.db2.gz BXZBAPWGCMUSHW-HSZRJFAPSA-N 1 1 452.599 3.257 20 0 JGADMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC001301487680 1066310905 /nfs/dbraw/zinc/31/09/05/1066310905.db2.gz BXZBAPWGCMUSHW-HSZRJFAPSA-N 1 1 452.599 3.257 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301992000 1066314313 /nfs/dbraw/zinc/31/43/13/1066314313.db2.gz WRKQLVGTYRKVAT-AIDKGEFFSA-N 1 1 493.693 3.144 20 0 JGADMO COc1c(Br)ccc(F)c1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC001301495054 1066319942 /nfs/dbraw/zinc/31/99/42/1066319942.db2.gz UHZCCDHKXQNPNL-INIZCTEOSA-N 1 1 450.352 3.143 20 0 JGADMO COc1c(Br)ccc(F)c1C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC001301495054 1066319948 /nfs/dbraw/zinc/31/99/48/1066319948.db2.gz UHZCCDHKXQNPNL-INIZCTEOSA-N 1 1 450.352 3.143 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001301998165 1066328590 /nfs/dbraw/zinc/32/85/90/1066328590.db2.gz HOVQSPBGQHHUGV-KURKYZTESA-N 1 1 498.550 3.168 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001301999354 1066330712 /nfs/dbraw/zinc/33/07/12/1066330712.db2.gz BRUAKBTXRXFZRV-HBFSDRIKSA-N 1 1 493.649 3.271 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001301999354 1066330725 /nfs/dbraw/zinc/33/07/25/1066330725.db2.gz BRUAKBTXRXFZRV-HBFSDRIKSA-N 1 1 493.649 3.271 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302001193 1066334745 /nfs/dbraw/zinc/33/47/45/1066334745.db2.gz HOIGIUWVRHELBI-DXIQSLLYSA-N 1 1 459.660 3.153 20 0 JGADMO COCC[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301516089 1066344523 /nfs/dbraw/zinc/34/45/23/1066344523.db2.gz JIYIJBJXJMLAEP-OAQYLSRUSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301516089 1066344539 /nfs/dbraw/zinc/34/45/39/1066344539.db2.gz JIYIJBJXJMLAEP-OAQYLSRUSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301516089 1066344554 /nfs/dbraw/zinc/34/45/54/1066344554.db2.gz JIYIJBJXJMLAEP-OAQYLSRUSA-N 1 1 475.081 3.411 20 0 JGADMO COCCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001301526653 1066353160 /nfs/dbraw/zinc/35/31/60/1066353160.db2.gz PPTZFINALKAZIS-SFHVURJKSA-N 1 1 494.434 3.054 20 0 JGADMO COCCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001301526653 1066353176 /nfs/dbraw/zinc/35/31/76/1066353176.db2.gz PPTZFINALKAZIS-SFHVURJKSA-N 1 1 494.434 3.054 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302011095 1066354674 /nfs/dbraw/zinc/35/46/74/1066354674.db2.gz IIADPSJKUFZHPD-HSALFYBXSA-N 1 1 489.665 3.372 20 0 JGADMO COCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001301530764 1066359413 /nfs/dbraw/zinc/35/94/13/1066359413.db2.gz UIIAGLXYQWIZTN-UHFFFAOYSA-N 1 1 454.619 3.043 20 0 JGADMO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001302013964 1066359886 /nfs/dbraw/zinc/35/98/86/1066359886.db2.gz GLULEZNLPLEKOT-PKTZIBPZSA-N 1 1 488.721 3.236 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1(O)CCCC1 ZINC001302015050 1066361790 /nfs/dbraw/zinc/36/17/90/1066361790.db2.gz RYXCRZMZLUIWRS-FCHUYYIVSA-N 1 1 471.646 3.408 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1(O)CCCC1 ZINC001302015062 1066361867 /nfs/dbraw/zinc/36/18/67/1066361867.db2.gz RYXCRZMZLUIWRS-YADHBBJMSA-N 1 1 471.646 3.408 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1cccc(C(F)F)c1 ZINC001302015576 1066363217 /nfs/dbraw/zinc/36/32/17/1066363217.db2.gz UPYBWUFHRYXLNG-KOSHJBKYSA-N 1 1 479.572 3.289 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1ccccc1Cl ZINC001302016540 1066365210 /nfs/dbraw/zinc/36/52/10/1066365210.db2.gz XLTGRGDVRZRUAN-DVECYGJZSA-N 1 1 478.037 3.199 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302017415 1066367698 /nfs/dbraw/zinc/36/76/98/1066367698.db2.gz STVJPKFIQSCPAZ-PCCBWWKXSA-N 1 1 473.666 3.240 20 0 JGADMO COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC001301546955 1066376434 /nfs/dbraw/zinc/37/64/34/1066376434.db2.gz KTUHOLPRBOHKGY-FGZHOGPDSA-N 1 1 457.596 3.407 20 0 JGADMO Cc1ccc(SCC(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001301550281 1066378249 /nfs/dbraw/zinc/37/82/49/1066378249.db2.gz FKQZXKDXAKQPKI-UHFFFAOYSA-N 1 1 452.624 3.169 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302025684 1066384890 /nfs/dbraw/zinc/38/48/90/1066384890.db2.gz FDUDMVUPQOQCHB-BORKOYIJSA-N 1 1 489.636 3.360 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001302027350 1066389218 /nfs/dbraw/zinc/38/92/18/1066389218.db2.gz IVYNJCLEZWCQPB-YKSBVNFPSA-N 1 1 490.693 3.246 20 0 JGADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 ZINC001302036824 1066406703 /nfs/dbraw/zinc/40/67/03/1066406703.db2.gz QTBFCJHRMAONCZ-QGZVFWFLSA-N 1 1 456.543 3.474 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1CC(C)(C)O ZINC001302036923 1066406747 /nfs/dbraw/zinc/40/67/47/1066406747.db2.gz JDKZJZIRTLTKSQ-NRFANRHFSA-N 1 1 471.646 3.266 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cc(F)ccc3C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302042326 1066419245 /nfs/dbraw/zinc/41/92/45/1066419245.db2.gz KUIPRHDYJCUVLP-WOJBJXKFSA-N 1 1 475.609 3.205 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302043537 1066422574 /nfs/dbraw/zinc/42/25/74/1066422574.db2.gz PMHLSPUIZKBIIE-RTBURBONSA-N 1 1 478.037 3.187 20 0 JGADMO COCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001301601502 1066445175 /nfs/dbraw/zinc/44/51/75/1066445175.db2.gz CJONAGGZSSFFHS-NHCUHLMSSA-N 1 1 492.665 3.076 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC1(O)CCCC1 ZINC001302054571 1066447879 /nfs/dbraw/zinc/44/78/79/1066447879.db2.gz MOULKCOJIWAXPR-YPAWHYETSA-N 1 1 463.667 3.398 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001301606731 1066452437 /nfs/dbraw/zinc/45/24/37/1066452437.db2.gz CZDSQISTSRHZOY-GOSISDBHSA-N 1 1 474.997 3.037 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001301607717 1066455296 /nfs/dbraw/zinc/45/52/96/1066455296.db2.gz PIUQEISBJXMGDW-SFHVURJKSA-N 1 1 483.444 3.325 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001301608259 1066455669 /nfs/dbraw/zinc/45/56/69/1066455669.db2.gz YPEIFEMJLWAXFR-LPHOPBHVSA-N 1 1 471.524 3.078 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001301608661 1066455752 /nfs/dbraw/zinc/45/57/52/1066455752.db2.gz BZMYAUTUNVWUDA-QFIPXVFZSA-N 1 1 454.550 3.025 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001301608997 1066456447 /nfs/dbraw/zinc/45/64/47/1066456447.db2.gz GACOFMLISHWGEA-NRFANRHFSA-N 1 1 458.994 3.473 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001301610088 1066457531 /nfs/dbraw/zinc/45/75/31/1066457531.db2.gz MLJBIFDCNHXJQG-UHFFFAOYSA-N 1 1 455.994 3.228 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001301610157 1066457651 /nfs/dbraw/zinc/45/76/51/1066457651.db2.gz OBZRARAYPMAEMM-UHFFFAOYSA-N 1 1 482.654 3.327 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001301610840 1066458127 /nfs/dbraw/zinc/45/81/27/1066458127.db2.gz WOLRNWNXHZMYCB-UHFFFAOYSA-N 1 1 463.630 3.334 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001301610505 1066458190 /nfs/dbraw/zinc/45/81/90/1066458190.db2.gz QCNRCRXRMSSBMN-QGZVFWFLSA-N 1 1 494.434 3.065 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](SC)C1 ZINC001301612828 1066461149 /nfs/dbraw/zinc/46/11/49/1066461149.db2.gz HKYNUZHELCILLA-KNQAVFIVSA-N 1 1 475.659 3.481 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001301612956 1066461734 /nfs/dbraw/zinc/46/17/34/1066461734.db2.gz HPULVOKSQWERBX-ACRUOGEOSA-N 1 1 494.681 3.037 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302063230 1066461683 /nfs/dbraw/zinc/46/16/83/1066461683.db2.gz GBVGWWFTBRFXCM-OAQYLSRUSA-N 1 1 488.702 3.273 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001301613246 1066462596 /nfs/dbraw/zinc/46/25/96/1066462596.db2.gz KNANNJPDWJVIFO-UEXGIBASSA-N 1 1 461.632 3.089 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001301613247 1066462622 /nfs/dbraw/zinc/46/26/22/1066462622.db2.gz KNANNJPDWJVIFO-WFXMLNOXSA-N 1 1 461.632 3.089 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001301614021 1066464045 /nfs/dbraw/zinc/46/40/45/1066464045.db2.gz URLNAEFXAAGESS-SFHVURJKSA-N 1 1 475.943 3.258 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302065596 1066465443 /nfs/dbraw/zinc/46/54/43/1066465443.db2.gz MGRGAFUPGMGGQD-SQJMNOBHSA-N 1 1 476.065 3.260 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001302066270 1066466826 /nfs/dbraw/zinc/46/68/26/1066466826.db2.gz CXYHRKWFIYGARL-IAGOWNOFSA-N 1 1 465.561 3.280 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001301616906 1066466889 /nfs/dbraw/zinc/46/68/89/1066466889.db2.gz FBMJRNXUBOJKJW-XSDIEEQYSA-N 1 1 478.682 3.499 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1COc2ccccc2O1 ZINC001302066936 1066469410 /nfs/dbraw/zinc/46/94/10/1066469410.db2.gz HPIZHNHXUJYFOT-PMACEKPBSA-N 1 1 473.618 3.153 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC2(CCOCC2)C1 ZINC001301618121 1066470080 /nfs/dbraw/zinc/47/00/80/1066470080.db2.gz NGWKPPDJGYVDKF-NHCUHLMSSA-N 1 1 495.734 3.267 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302068466 1066471857 /nfs/dbraw/zinc/47/18/57/1066471857.db2.gz PSDOIDIFLCBFSW-PGRDOPGGSA-N 1 1 493.052 3.017 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001301619281 1066473202 /nfs/dbraw/zinc/47/32/02/1066473202.db2.gz XAQISDIVFCOVJG-XUVXKRRUSA-N 1 1 451.656 3.169 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001301619275 1066473260 /nfs/dbraw/zinc/47/32/60/1066473260.db2.gz WTAYUQKDOSVGCE-STZQEDGTSA-N 1 1 461.582 3.203 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001302071327 1066479327 /nfs/dbraw/zinc/47/93/27/1066479327.db2.gz HVMTUQFQEHWLIP-NJDAHSKKSA-N 1 1 494.681 3.228 20 0 JGADMO CC(=O)c1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCOCC3)CC2)c(F)c1 ZINC001301627868 1066486555 /nfs/dbraw/zinc/48/65/55/1066486555.db2.gz QHCVFBINJJHRAY-UHFFFAOYSA-N 1 1 486.636 3.257 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302075152 1066487138 /nfs/dbraw/zinc/48/71/38/1066487138.db2.gz ILAUOIZVVKPQRI-VQTJNVASSA-N 1 1 474.625 3.394 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302077441 1066489452 /nfs/dbraw/zinc/48/94/52/1066489452.db2.gz NSFJXZGPOFBZEF-GMAHTHKFSA-N 1 1 482.673 3.069 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)s1 ZINC001302079561 1066494530 /nfs/dbraw/zinc/49/45/30/1066494530.db2.gz LUSAGEOLXSOBKI-UHFFFAOYSA-N 1 1 465.067 3.473 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)s1 ZINC001302079561 1066494536 /nfs/dbraw/zinc/49/45/36/1066494536.db2.gz LUSAGEOLXSOBKI-UHFFFAOYSA-N 1 1 465.067 3.473 20 0 JGADMO CC(C)(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302082595 1066502867 /nfs/dbraw/zinc/50/28/67/1066502867.db2.gz HOYBOVBFWJUGNU-UHFFFAOYSA-N 1 1 486.636 3.178 20 0 JGADMO CC(C)(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302082595 1066502874 /nfs/dbraw/zinc/50/28/74/1066502874.db2.gz HOYBOVBFWJUGNU-UHFFFAOYSA-N 1 1 486.636 3.178 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(C)c3C)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302083101 1066504076 /nfs/dbraw/zinc/50/40/76/1066504076.db2.gz UJGSRHLWHQGPBG-GMAHTHKFSA-N 1 1 470.662 3.430 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001301645334 1066510054 /nfs/dbraw/zinc/51/00/54/1066510054.db2.gz ZEQJHIXXOKBQLM-UHFFFAOYSA-N 1 1 456.635 3.343 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C1 ZINC001301647212 1066510866 /nfs/dbraw/zinc/51/08/66/1066510866.db2.gz BTNABQVCQFEKHZ-QFIPXVFZSA-N 1 1 492.628 3.047 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302087376 1066512678 /nfs/dbraw/zinc/51/26/78/1066512678.db2.gz GSZWRNIREHVZAN-UHFFFAOYSA-N 1 1 462.589 3.291 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302087376 1066512687 /nfs/dbraw/zinc/51/26/87/1066512687.db2.gz GSZWRNIREHVZAN-UHFFFAOYSA-N 1 1 462.589 3.291 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001302088386 1066514035 /nfs/dbraw/zinc/51/40/35/1066514035.db2.gz DBDLYCFYOOJKJF-XUVXKRRUSA-N 1 1 463.648 3.201 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001302088387 1066514068 /nfs/dbraw/zinc/51/40/68/1066514068.db2.gz DBDLYCFYOOJKJF-ZCNNSNEGSA-N 1 1 463.648 3.201 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@]1(O)CCC[C@H]1C ZINC001302089174 1066515590 /nfs/dbraw/zinc/51/55/90/1066515590.db2.gz LGKZNGLUSVWRLO-SRCYTUNASA-N 1 1 471.646 3.264 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001301650597 1066517227 /nfs/dbraw/zinc/51/72/27/1066517227.db2.gz BNGBMGALNNHYQZ-NRFANRHFSA-N 1 1 453.635 3.218 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001302090440 1066517651 /nfs/dbraw/zinc/51/76/51/1066517651.db2.gz VGIPMDPSCLWBME-RXVVDRJESA-N 1 1 497.562 3.370 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1cccc(O)c1 ZINC001302090628 1066518136 /nfs/dbraw/zinc/51/81/36/1066518136.db2.gz WHIJXGXRGUPRCV-SFHVURJKSA-N 1 1 457.600 3.140 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302090810 1066518393 /nfs/dbraw/zinc/51/83/93/1066518393.db2.gz HAXHQBUTJHOXHM-HOTGVXAUSA-N 1 1 488.580 3.395 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C)cc1F ZINC001302091181 1066518745 /nfs/dbraw/zinc/51/87/45/1066518745.db2.gz AKBQFYIFUOOGAY-VQTJNVASSA-N 1 1 475.609 3.187 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302090814 1066518911 /nfs/dbraw/zinc/51/89/11/1066518911.db2.gz HAXHQBUTJHOXHM-JKSUJKDBSA-N 1 1 488.580 3.395 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301655997 1066524846 /nfs/dbraw/zinc/52/48/46/1066524846.db2.gz VXSJIUCJHICVKB-OFNKIYASSA-N 1 1 467.662 3.465 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCCC1CCOCC1 ZINC001302095655 1066525070 /nfs/dbraw/zinc/52/50/70/1066525070.db2.gz LWNFCCNMRJNXTF-QHCPKHFHSA-N 1 1 485.673 3.344 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302096137 1066526590 /nfs/dbraw/zinc/52/65/90/1066526590.db2.gz OVSZVCYFYNKINS-OAQYLSRUSA-N 1 1 476.616 3.254 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302096481 1066527201 /nfs/dbraw/zinc/52/72/01/1066527201.db2.gz HLLMWDBDSPJLBE-CZSZKKDXSA-N 1 1 481.682 3.000 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302096830 1066527980 /nfs/dbraw/zinc/52/79/80/1066527980.db2.gz VHUJAAXPGIYDAX-QHCPKHFHSA-N 1 1 472.653 3.274 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001302098434 1066530662 /nfs/dbraw/zinc/53/06/62/1066530662.db2.gz PMCCERLCEOCLJA-RCCFBDPRSA-N 1 1 463.545 3.034 20 0 JGADMO COCCCOc1cc(C)ccc1Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001301669368 1066546814 /nfs/dbraw/zinc/54/68/14/1066546814.db2.gz XZUMCZXKMZWXSF-UHFFFAOYSA-N 1 1 479.629 3.428 20 0 JGADMO COCCCOC1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001301676914 1066558703 /nfs/dbraw/zinc/55/87/03/1066558703.db2.gz QITSSCKWOAUUCX-UHFFFAOYSA-N 1 1 475.609 3.217 20 0 JGADMO COCCCOC1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001301676914 1066558711 /nfs/dbraw/zinc/55/87/11/1066558711.db2.gz QITSSCKWOAUUCX-UHFFFAOYSA-N 1 1 475.609 3.217 20 0 JGADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 ZINC001301681916 1066564494 /nfs/dbraw/zinc/56/44/94/1066564494.db2.gz RTBUXXSQXRXKKQ-VWLOTQADSA-N 1 1 457.615 3.404 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001301690547 1066578292 /nfs/dbraw/zinc/57/82/92/1066578292.db2.gz DZFAEKCJILHSTH-NRFANRHFSA-N 1 1 471.005 3.081 20 0 JGADMO CC(=O)N1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001301693090 1066581231 /nfs/dbraw/zinc/58/12/31/1066581231.db2.gz RARVZRJRLNCUGI-GOSISDBHSA-N 1 1 469.565 3.211 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001301696326 1066584517 /nfs/dbraw/zinc/58/45/17/1066584517.db2.gz MTQAJSHDUDCGAL-CQSZACIVSA-N 1 1 481.464 3.310 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3cccnc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301696600 1066585051 /nfs/dbraw/zinc/58/50/51/1066585051.db2.gz OIZSOVGAPPPVTH-OYRHEFFESA-N 1 1 453.635 3.157 20 0 JGADMO CC(=O)N1CCCN(c2nnc(CCCc3ccccc3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001301706353 1066596294 /nfs/dbraw/zinc/59/62/94/1066596294.db2.gz WRSRHACJAVZREG-UHFFFAOYSA-N 1 1 463.630 3.497 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccccc3F)C[C@H]2C)CC1 ZINC001301707023 1066597047 /nfs/dbraw/zinc/59/70/47/1066597047.db2.gz ANSGDTMJJQSOSK-GCJKJVERSA-N 1 1 456.610 3.142 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)C[C@@H]2C)CC1 ZINC001301707845 1066599544 /nfs/dbraw/zinc/59/95/44/1066599544.db2.gz GFLTVEWYWKUCEB-UWJYYQICSA-N 1 1 487.718 3.271 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)Oc3ccccc3F)C[C@@H]2C)CC1 ZINC001301708285 1066600004 /nfs/dbraw/zinc/60/00/04/1066600004.db2.gz KTWABRMWDZVYRF-SXWKCWPCSA-N 1 1 486.636 3.387 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001301708392 1066600550 /nfs/dbraw/zinc/60/05/50/1066600550.db2.gz MKLPCNDGYXXGOB-DHLKQENFSA-N 1 1 495.716 3.481 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001302150090 1066600963 /nfs/dbraw/zinc/60/09/63/1066600963.db2.gz CSFFEUJNBKXRCB-UNMCSNQZSA-N 1 1 456.635 3.482 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708473 1066601280 /nfs/dbraw/zinc/60/12/80/1066601280.db2.gz NOKLBKZTPRFCEK-OFVILXPXSA-N 1 1 497.688 3.090 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001301708477 1066601417 /nfs/dbraw/zinc/60/14/17/1066601417.db2.gz NQCRMMOPVZJHDA-HYBUGGRVSA-N 1 1 496.700 3.392 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302153113 1066605827 /nfs/dbraw/zinc/60/58/27/1066605827.db2.gz WRDDEOUGIVDTII-NHCUHLMSSA-N 1 1 475.609 3.073 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001302153522 1066607090 /nfs/dbraw/zinc/60/70/90/1066607090.db2.gz ZMWOKTMKSNBJRV-FCHUYYIVSA-N 1 1 456.635 3.340 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001301712332 1066607888 /nfs/dbraw/zinc/60/78/88/1066607888.db2.gz CMIKAAWGCSTXCV-BGYRXZFFSA-N 1 1 452.603 3.384 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301712505 1066608590 /nfs/dbraw/zinc/60/85/90/1066608590.db2.gz GDEZGERWWNKWSU-LADGPHEKSA-N 1 1 498.672 3.060 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001301713698 1066612919 /nfs/dbraw/zinc/61/29/19/1066612919.db2.gz MTYOANGGDXHZKC-GOSISDBHSA-N 1 1 492.049 3.305 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001301713743 1066613694 /nfs/dbraw/zinc/61/36/94/1066613694.db2.gz OIMUCDOJXZPKGX-QFIPXVFZSA-N 1 1 451.015 3.357 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001301713932 1066614177 /nfs/dbraw/zinc/61/41/77/1066614177.db2.gz OWMAVNSKVIIJIJ-LJQANCHMSA-N 1 1 475.659 3.243 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C(=O)OC)CC1 ZINC001301714093 1066614917 /nfs/dbraw/zinc/61/49/17/1066614917.db2.gz RPJJDFMXFKZRPN-GOSISDBHSA-N 1 1 489.686 3.489 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001301714586 1066616198 /nfs/dbraw/zinc/61/61/98/1066616198.db2.gz MZDWVRULXRHNTR-ROUUACIJSA-N 1 1 469.565 3.209 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(OC)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001301714715 1066616660 /nfs/dbraw/zinc/61/66/60/1066616660.db2.gz WNVZWEXAUCLYEU-UHFFFAOYSA-N 1 1 493.534 3.158 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001301717767 1066619435 /nfs/dbraw/zinc/61/94/35/1066619435.db2.gz UAYNIFVATXWTKY-UHFFFAOYSA-N 1 1 463.630 3.252 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001301718061 1066619953 /nfs/dbraw/zinc/61/99/53/1066619953.db2.gz AFKLEZJYQUJDKR-SJORKVTESA-N 1 1 453.603 3.446 20 0 JGADMO COCCOC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001302161559 1066620559 /nfs/dbraw/zinc/62/05/59/1066620559.db2.gz FSIKJKIGZQAVHE-UHFFFAOYSA-N 1 1 471.646 3.088 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)C(C)C)C1 ZINC001302162305 1066621690 /nfs/dbraw/zinc/62/16/90/1066621690.db2.gz JFGSTFLBWNQALQ-IBGZPJMESA-N 1 1 466.424 3.290 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001301719610 1066621811 /nfs/dbraw/zinc/62/18/11/1066621811.db2.gz SKJGPDONCTVSEN-FQEVSTJZSA-N 1 1 494.681 3.372 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001301721061 1066625445 /nfs/dbraw/zinc/62/54/45/1066625445.db2.gz FPOAYWHMGWBPGF-GJZGRUSLSA-N 1 1 470.387 3.039 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001301721447 1066626792 /nfs/dbraw/zinc/62/67/92/1066626792.db2.gz IGYKDTGQNKDEPF-UHFFFAOYSA-N 1 1 461.916 3.070 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302165382 1066627568 /nfs/dbraw/zinc/62/75/68/1066627568.db2.gz KETZGQWPHBYYRN-UHFFFAOYSA-N 1 1 456.635 3.010 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001301722066 1066628916 /nfs/dbraw/zinc/62/89/16/1066628916.db2.gz NEZFOQOALUPULX-CYBMUJFWSA-N 1 1 479.345 3.393 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001301722458 1066630240 /nfs/dbraw/zinc/63/02/40/1066630240.db2.gz QRTPCBUEAKXGHK-GHTZIAJQSA-N 1 1 463.598 3.387 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001301723070 1066631602 /nfs/dbraw/zinc/63/16/02/1066631602.db2.gz VCAWIAIIBPTWOG-CYFREDJKSA-N 1 1 461.582 3.142 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001301722765 1066631709 /nfs/dbraw/zinc/63/17/09/1066631709.db2.gz UWSNKRJKMZMKGB-UHFFFAOYSA-N 1 1 451.999 3.012 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC=C(C)C1 ZINC001301722869 1066632275 /nfs/dbraw/zinc/63/22/75/1066632275.db2.gz RXTPFZGYKARAQX-BGYRXZFFSA-N 1 1 462.639 3.174 20 0 JGADMO COCC[N@@H+](C)CCCn1c(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)nnc1C(C)(C)C ZINC001301722849 1066632312 /nfs/dbraw/zinc/63/23/12/1066632312.db2.gz RLTROWCUHXFYNK-HXUWFJFHSA-N 1 1 456.635 3.033 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2 ZINC001301723107 1066633491 /nfs/dbraw/zinc/63/34/91/1066633491.db2.gz WCEANBJGISZGSR-LJQANCHMSA-N 1 1 461.582 3.142 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001301723083 1066633690 /nfs/dbraw/zinc/63/36/90/1066633690.db2.gz VIVTYFXNPZRZQD-ZWKOTPCHSA-N 1 1 495.466 3.257 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302169462 1066638367 /nfs/dbraw/zinc/63/83/67/1066638367.db2.gz QFJRWFCRHDZWDO-FUHWJXTLSA-N 1 1 451.974 3.464 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001302169682 1066638945 /nfs/dbraw/zinc/63/89/45/1066638945.db2.gz UJLWRDUCTSTQCK-SJLPKXTDSA-N 1 1 484.428 3.214 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001302170746 1066640359 /nfs/dbraw/zinc/64/03/59/1066640359.db2.gz FFWPPVAEMUMCOZ-HBMCJLEFSA-N 1 1 456.635 3.338 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001301726454 1066642947 /nfs/dbraw/zinc/64/29/47/1066642947.db2.gz SKHNYRNQLKOYKH-OXQOHEQNSA-N 1 1 451.999 3.047 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301726611 1066643665 /nfs/dbraw/zinc/64/36/65/1066643665.db2.gz VYEIVHSAUINGJO-LJQANCHMSA-N 1 1 484.601 3.373 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302173314 1066644213 /nfs/dbraw/zinc/64/42/13/1066644213.db2.gz JJFQAOZLIFIVIY-LJQANCHMSA-N 1 1 451.681 3.146 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001301727291 1066644353 /nfs/dbraw/zinc/64/43/53/1066644353.db2.gz ARHZTRBYACQRLZ-QGZVFWFLSA-N 1 1 459.982 3.252 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001302173606 1066644926 /nfs/dbraw/zinc/64/49/26/1066644926.db2.gz KBBNMGVIAAZZGQ-AEFFLSMTSA-N 1 1 478.435 3.432 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCOC(C)(C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001302173801 1066644942 /nfs/dbraw/zinc/64/49/42/1066644942.db2.gz VZLJLLJRDDNRNH-UHFFFAOYSA-N 1 1 455.651 3.089 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001301727684 1066645950 /nfs/dbraw/zinc/64/59/50/1066645950.db2.gz JQAUYEAKMHALCQ-UHFFFAOYSA-N 1 1 456.978 3.143 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001301727986 1066646491 /nfs/dbraw/zinc/64/64/91/1066646491.db2.gz QKMCZMXYEZMFAK-INIZCTEOSA-N 1 1 471.524 3.319 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCCC[C@@H](COC)C1 ZINC001301727996 1066646558 /nfs/dbraw/zinc/64/65/58/1066646558.db2.gz QOQXFHLVBRRZJR-HXUWFJFHSA-N 1 1 452.603 3.324 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001301728329 1066647139 /nfs/dbraw/zinc/64/71/39/1066647139.db2.gz ZEZKOGIGZCZSMC-JOCHJYFZSA-N 1 1 452.603 3.323 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@H]1C ZINC001301728233 1066647168 /nfs/dbraw/zinc/64/71/68/1066647168.db2.gz XYHQQGCDCVUODV-MRXNPFEDSA-N 1 1 466.424 3.290 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCSC[C@@H]1C ZINC001301728060 1066647250 /nfs/dbraw/zinc/64/72/50/1066647250.db2.gz UCOASCBKCRWGLM-HNNXBMFYSA-N 1 1 454.438 3.228 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC001301730444 1066649172 /nfs/dbraw/zinc/64/91/72/1066649172.db2.gz KPLCAAVBKRQCKH-ZCNNSNEGSA-N 1 1 453.635 3.154 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001301730969 1066649969 /nfs/dbraw/zinc/64/99/69/1066649969.db2.gz HQWWTGCOFJRYKL-UHFFFAOYSA-N 1 1 473.597 3.053 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001301730830 1066650067 /nfs/dbraw/zinc/65/00/67/1066650067.db2.gz MOUOWRKKIADNES-NHCUHLMSSA-N 1 1 461.614 3.308 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001301731112 1066650739 /nfs/dbraw/zinc/65/07/39/1066650739.db2.gz JZTNHDZAHMJKBP-RTWAWAEBSA-N 1 1 464.010 3.329 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001301732518 1066652044 /nfs/dbraw/zinc/65/20/44/1066652044.db2.gz UDLVCDUTXAYMKB-UHFFFAOYSA-N 1 1 461.054 3.490 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001301732397 1066652159 /nfs/dbraw/zinc/65/21/59/1066652159.db2.gz SGUWCPZJTOELGA-IBGZPJMESA-N 1 1 478.435 3.076 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001301733648 1066653925 /nfs/dbraw/zinc/65/39/25/1066653925.db2.gz HNEWYKGYWQGELR-KRWDZBQOSA-N 1 1 456.541 3.244 20 0 JGADMO COCCOC1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001302179185 1066654948 /nfs/dbraw/zinc/65/49/48/1066654948.db2.gz GHMUEXQULVSRSM-RTWAWAEBSA-N 1 1 463.667 3.314 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC001301735059 1066656733 /nfs/dbraw/zinc/65/67/33/1066656733.db2.gz UPQRSVCQZXTGMH-FPOVZHCZSA-N 1 1 453.635 3.218 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001301735220 1066657248 /nfs/dbraw/zinc/65/72/48/1066657248.db2.gz XHGBQMDFVPGMNW-UHFFFAOYSA-N 1 1 478.037 3.222 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001301735845 1066657981 /nfs/dbraw/zinc/65/79/81/1066657981.db2.gz GCXDRNPYFDKFPW-OAQYLSRUSA-N 1 1 459.591 3.226 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOCC2(CCC2)C1 ZINC001301736587 1066658712 /nfs/dbraw/zinc/65/87/12/1066658712.db2.gz NSFOYHDBQUBHJR-UHFFFAOYSA-N 1 1 457.619 3.059 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001301736919 1066659504 /nfs/dbraw/zinc/65/95/04/1066659504.db2.gz QPPUQEJLPRYBGR-UHFFFAOYSA-N 1 1 461.035 3.428 20 0 JGADMO COCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001301737320 1066659564 /nfs/dbraw/zinc/65/95/64/1066659564.db2.gz WOBFKDBQCGJEJR-UHFFFAOYSA-N 1 1 489.045 3.064 20 0 JGADMO COc1ccc([C@H]2CN(C(=O)c3ccc(I)cc3OC)CC[NH2+]2)cc1 ZINC001302182919 1066660432 /nfs/dbraw/zinc/66/04/32/1066660432.db2.gz JISNAXLBNLKOOR-QGZVFWFLSA-N 1 1 452.292 3.095 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001301739866 1066660756 /nfs/dbraw/zinc/66/07/56/1066660756.db2.gz GHLUAWHTAGXDAP-BHIFYINESA-N 1 1 463.667 3.170 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001301740404 1066661295 /nfs/dbraw/zinc/66/12/95/1066661295.db2.gz JWLNHXXUBIQDTJ-AQNXPRMDSA-N 1 1 488.633 3.214 20 0 JGADMO COc1ccc([C@@H]2CN(C(=O)c3cnn(Cc4ccccc4)c3Br)CC[NH2+]2)cc1 ZINC001302184419 1066661569 /nfs/dbraw/zinc/66/15/69/1066661569.db2.gz UGBQSCADLVXGJH-FQEVSTJZSA-N 1 1 455.356 3.489 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC(O)(c3ccccc3Cl)CC2)nnc1C(C)(C)C ZINC001301740913 1066662634 /nfs/dbraw/zinc/66/26/34/1066662634.db2.gz MEGQALYVWSHLPJ-UHFFFAOYSA-N 1 1 450.027 3.295 20 0 JGADMO COc1ccc([C@@H]2CN(C(=O)c3cc(I)c(F)cc3F)CC[NH2+]2)cc1 ZINC001302185746 1066664644 /nfs/dbraw/zinc/66/46/44/1066664644.db2.gz WIDFSWALUYMCPX-KRWDZBQOSA-N 1 1 458.246 3.365 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)CC1 ZINC001302192230 1066676920 /nfs/dbraw/zinc/67/69/20/1066676920.db2.gz HJCYSGVKVFPPAB-XMSQKQJNSA-N 1 1 469.721 3.024 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC001301748907 1066677964 /nfs/dbraw/zinc/67/79/64/1066677964.db2.gz DZLRPJPBURGEAC-FYYLOGMGSA-N 1 1 468.646 3.343 20 0 JGADMO CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301749097 1066677977 /nfs/dbraw/zinc/67/79/77/1066677977.db2.gz MPJRYOSXUJGPEA-JOCHJYFZSA-N 1 1 452.647 3.386 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)CC1 ZINC001302193746 1066679656 /nfs/dbraw/zinc/67/96/56/1066679656.db2.gz UHSZBPLEMLFQLP-HXUWFJFHSA-N 1 1 477.650 3.120 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CC1 ZINC001302194215 1066681207 /nfs/dbraw/zinc/68/12/07/1066681207.db2.gz CXGFAZDLEGFZCJ-UHFFFAOYSA-N 1 1 453.990 3.447 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301751270 1066682162 /nfs/dbraw/zinc/68/21/62/1066682162.db2.gz XYTNCZPZUZYBGH-QFIPXVFZSA-N 1 1 468.646 3.407 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)(F)F)CC1 ZINC001302195464 1066684296 /nfs/dbraw/zinc/68/42/96/1066684296.db2.gz RCSXEZUFUYHWPM-UHFFFAOYSA-N 1 1 472.512 3.243 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001302196065 1066685838 /nfs/dbraw/zinc/68/58/38/1066685838.db2.gz ZAMKFYTVJCCQRU-KRWDZBQOSA-N 1 1 466.051 3.344 20 0 JGADMO COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@H]1CC[C@@H](C)C1 ZINC001301757355 1066690388 /nfs/dbraw/zinc/69/03/88/1066690388.db2.gz LQKBPUCFMPGALV-MBDNFAEBSA-N 1 1 495.734 3.332 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001301757983 1066692807 /nfs/dbraw/zinc/69/28/07/1066692807.db2.gz FQRPRNMLZJSWTC-HXUWFJFHSA-N 1 1 465.602 3.208 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC001301757970 1066692861 /nfs/dbraw/zinc/69/28/61/1066692861.db2.gz DYOXBFBSQSPLOX-OALUTQOASA-N 1 1 475.037 3.299 20 0 JGADMO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 ZINC001302201739 1066696737 /nfs/dbraw/zinc/69/67/37/1066696737.db2.gz BYEOVVOSLPDZAD-UHFFFAOYSA-N 1 1 458.626 3.041 20 0 JGADMO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001302202023 1066697325 /nfs/dbraw/zinc/69/73/25/1066697325.db2.gz AUCXGOUGNSWHDI-QGZVFWFLSA-N 1 1 497.612 3.292 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001301763154 1066702687 /nfs/dbraw/zinc/70/26/87/1066702687.db2.gz DKFZONZDAOETRX-UHFFFAOYSA-N 1 1 482.032 3.227 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[C@H](C)C2)CC1 ZINC001301763725 1066703809 /nfs/dbraw/zinc/70/38/09/1066703809.db2.gz IFLHOBGUAQERML-HNNXBMFYSA-N 1 1 495.853 3.371 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCc3cccc(F)c3F)C[C@@H]2C)CC1 ZINC001301764460 1066704708 /nfs/dbraw/zinc/70/47/08/1066704708.db2.gz JQUMTPWUCLYJGT-PGRDOPGGSA-N 1 1 488.627 3.376 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3ccccc3)C[C@H]2C)CC1 ZINC001301765945 1066707183 /nfs/dbraw/zinc/70/71/83/1066707183.db2.gz NQCQWPCOKRYHCI-QPPBQGQZSA-N 1 1 466.674 3.488 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)CC1 ZINC001301766063 1066707457 /nfs/dbraw/zinc/70/74/57/1066707457.db2.gz BLPRLQSMDOGEIO-PXNSSMCTSA-N 1 1 460.026 3.173 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(OC(F)F)c(F)c3)C[C@@H]2C)CC1 ZINC001301766569 1066707970 /nfs/dbraw/zinc/70/79/70/1066707970.db2.gz OQRSAIVVFXRCNM-OXJNMPFZSA-N 1 1 494.562 3.179 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001301767148 1066708737 /nfs/dbraw/zinc/70/87/37/1066708737.db2.gz NBXVPVKHMYEBLX-IBGZPJMESA-N 1 1 465.577 3.149 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001301767319 1066709370 /nfs/dbraw/zinc/70/93/70/1066709370.db2.gz QAHLZZIMAOIFKX-UHFFFAOYSA-N 1 1 468.499 3.027 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3c(F)cccc3OC(F)F)C[C@H]2C)CC1 ZINC001301767540 1066709975 /nfs/dbraw/zinc/70/99/75/1066709975.db2.gz QPUXFWGGLFYPGE-OXQOHEQNSA-N 1 1 494.562 3.179 20 0 JGADMO CC(C)=CCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301768343 1066711258 /nfs/dbraw/zinc/71/12/58/1066711258.db2.gz UTTNCLIJYHTGGR-NFBKMPQASA-N 1 1 484.620 3.341 20 0 JGADMO COCCOCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302212832 1066715108 /nfs/dbraw/zinc/71/51/08/1066715108.db2.gz ZJXDINNAJNWQOL-UHFFFAOYSA-N 1 1 473.618 3.080 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(-c2cnccn2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001301780795 1066730097 /nfs/dbraw/zinc/73/00/97/1066730097.db2.gz TURQNOVBIWVELT-RBUKOAKNSA-N 1 1 453.591 3.410 20 0 JGADMO COCCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001301782980 1066732124 /nfs/dbraw/zinc/73/21/24/1066732124.db2.gz SQKFMTMSFVZUDF-UHFFFAOYSA-N 1 1 450.587 3.104 20 0 JGADMO COCCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC[N@H+]1CCOCC1(C)C ZINC001301782980 1066732129 /nfs/dbraw/zinc/73/21/29/1066732129.db2.gz SQKFMTMSFVZUDF-UHFFFAOYSA-N 1 1 450.587 3.104 20 0 JGADMO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)cc1 ZINC001301801328 1066752706 /nfs/dbraw/zinc/75/27/06/1066752706.db2.gz DOLRQACOEQYVLR-QHCPKHFHSA-N 1 1 457.596 3.132 20 0 JGADMO CC(C)(C)OC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302234666 1066754936 /nfs/dbraw/zinc/75/49/36/1066754936.db2.gz SXZCWMPNEFSWCL-UHFFFAOYSA-N 1 1 476.666 3.179 20 0 JGADMO CC(C)(C)OC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302234666 1066754942 /nfs/dbraw/zinc/75/49/42/1066754942.db2.gz SXZCWMPNEFSWCL-UHFFFAOYSA-N 1 1 476.666 3.179 20 0 JGADMO COCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302237819 1066758181 /nfs/dbraw/zinc/75/81/81/1066758181.db2.gz LTVIJGUGFZAMKH-WOJBJXKFSA-N 1 1 451.656 3.170 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302238315 1066759077 /nfs/dbraw/zinc/75/90/77/1066759077.db2.gz PVJYYGWKBJTWTQ-YDWJEQILSA-N 1 1 475.609 3.307 20 0 JGADMO COc1cccc(C[C@@H]2CN(C(=O)c3cc(S(C)(=O)=O)c(Cl)cc3Cl)CC[NH2+]2)c1 ZINC001301812141 1066766667 /nfs/dbraw/zinc/76/66/67/1066766667.db2.gz PMDFZTLWTSJMOI-CQSZACIVSA-N 1 1 457.379 3.062 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001302241921 1066768018 /nfs/dbraw/zinc/76/80/18/1066768018.db2.gz CUMSVXZAUBAQDC-MLNNCEHLSA-N 1 1 463.667 3.233 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001301817357 1066775333 /nfs/dbraw/zinc/77/53/33/1066775333.db2.gz ZPDWOKIPOSSPBQ-VXKWHMMOSA-N 1 1 475.037 3.060 20 0 JGADMO CC(C)(C)OC(=O)NC1CCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302246816 1066777931 /nfs/dbraw/zinc/77/79/31/1066777931.db2.gz WHUQVYDKCKIRFW-UHFFFAOYSA-N 1 1 462.639 3.150 20 0 JGADMO CC(C)(C)OC(=O)NC1CCN(c2nnc(C3CCC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302246816 1066777944 /nfs/dbraw/zinc/77/79/44/1066777944.db2.gz WHUQVYDKCKIRFW-UHFFFAOYSA-N 1 1 462.639 3.150 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301818472 1066778555 /nfs/dbraw/zinc/77/85/55/1066778555.db2.gz MNDPDMUFGNSVLD-MAUKXSAKSA-N 1 1 481.428 3.078 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)c2ccccc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302248366 1066780989 /nfs/dbraw/zinc/78/09/89/1066780989.db2.gz QNMXSDMNKKTRHS-NHTMILBNSA-N 1 1 484.689 3.268 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302249574 1066784049 /nfs/dbraw/zinc/78/40/49/1066784049.db2.gz HGMLKWINYXELEX-QFIPXVFZSA-N 1 1 498.672 3.278 20 0 JGADMO COCCn1c(-c2cccc(Br)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001301822871 1066784955 /nfs/dbraw/zinc/78/49/55/1066784955.db2.gz YPGMBKPXQPYJAE-UHFFFAOYSA-N 1 1 466.424 3.149 20 0 JGADMO COCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301825830 1066788815 /nfs/dbraw/zinc/78/88/15/1066788815.db2.gz VUCRGXFPPZZESU-HUUCEWRRSA-N 1 1 450.381 3.036 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301826396 1066790217 /nfs/dbraw/zinc/79/02/17/1066790217.db2.gz DGVQVSRAYJTJRB-SELNLUPBSA-N 1 1 486.636 3.001 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302253981 1066795415 /nfs/dbraw/zinc/79/54/15/1066795415.db2.gz PHIZPSOQFOFVKH-IBGZPJMESA-N 1 1 476.666 3.398 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001301830204 1066795895 /nfs/dbraw/zinc/79/58/95/1066795895.db2.gz WGBBGNHHWPZVRR-OAQYLSRUSA-N 1 1 485.633 3.010 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301831992 1066798149 /nfs/dbraw/zinc/79/81/49/1066798149.db2.gz IAJXCMWGSHAUED-WTIAFYNJSA-N 1 1 454.619 3.145 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301836744 1066807282 /nfs/dbraw/zinc/80/72/82/1066807282.db2.gz QSGVQFTZGCQODZ-KRWDZBQOSA-N 1 1 492.466 3.261 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1sccc1C ZINC001302260967 1066808700 /nfs/dbraw/zinc/80/87/00/1066808700.db2.gz MWHXDOKONYVZDA-IIZPIQPGSA-N 1 1 477.675 3.160 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1sccc1C ZINC001302260967 1066808705 /nfs/dbraw/zinc/80/87/05/1066808705.db2.gz MWHXDOKONYVZDA-IIZPIQPGSA-N 1 1 477.675 3.160 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1ccc(Cl)cc1 ZINC001302261152 1066808724 /nfs/dbraw/zinc/80/87/24/1066808724.db2.gz OKCJVKIJVVSRDV-QRICJDHISA-N 1 1 492.064 3.444 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1ccc(Cl)cc1 ZINC001302261152 1066808730 /nfs/dbraw/zinc/80/87/30/1066808730.db2.gz OKCJVKIJVVSRDV-QRICJDHISA-N 1 1 492.064 3.444 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301844211 1066816932 /nfs/dbraw/zinc/81/69/32/1066816932.db2.gz GVRWUCGYRLEPSS-FQEVSTJZSA-N 1 1 456.610 3.233 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001301846189 1066820006 /nfs/dbraw/zinc/82/00/06/1066820006.db2.gz DSIFNBZQXREIMO-UHFFFAOYSA-N 1 1 456.635 3.309 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301846340 1066820240 /nfs/dbraw/zinc/82/02/40/1066820240.db2.gz GAYLXBOMWKCOIA-HXUWFJFHSA-N 1 1 454.619 3.002 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301846816 1066820761 /nfs/dbraw/zinc/82/07/61/1066820761.db2.gz LMYJAUGEFXTBGL-LEWJYISDSA-N 1 1 468.646 3.391 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302268568 1066826525 /nfs/dbraw/zinc/82/65/25/1066826525.db2.gz CTXKQLCDAKYUBY-CMOCDZPBSA-N 1 1 463.667 3.375 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302278916 1066847011 /nfs/dbraw/zinc/84/70/11/1066847011.db2.gz VHORHDUWGHWAMU-LJQANCHMSA-N 1 1 462.639 3.150 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C(C)C)cc1 ZINC001302280860 1066848682 /nfs/dbraw/zinc/84/86/82/1066848682.db2.gz HVZRFEKRORWNMK-SSPYTLHUSA-N 1 1 457.640 3.182 20 0 JGADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC001302281712 1066850416 /nfs/dbraw/zinc/85/04/16/1066850416.db2.gz LQVFUBHAKOFQAV-GOEBONIOSA-N 1 1 450.402 3.125 20 0 JGADMO COCCN1C[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1=O ZINC001301865049 1066854891 /nfs/dbraw/zinc/85/48/91/1066854891.db2.gz UVRFWQGAZXZVTO-XZOQPEGZSA-N 1 1 482.673 3.072 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CCCO)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302285014 1066855693 /nfs/dbraw/zinc/85/56/93/1066855693.db2.gz XCLJOKWTYXKYPL-MQFRRQCYSA-N 1 1 463.667 3.111 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301870726 1066862688 /nfs/dbraw/zinc/86/26/88/1066862688.db2.gz YSQBLNOYBVTOJV-FCHUYYIVSA-N 1 1 470.637 3.481 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301870808 1066863640 /nfs/dbraw/zinc/86/36/40/1066863640.db2.gz BIZLLSURMZDDNC-ISKFKSNPSA-N 1 1 498.672 3.019 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1CC[N@@H+](C)C(C)C ZINC001302290386 1066869358 /nfs/dbraw/zinc/86/93/58/1066869358.db2.gz OCSBMPARMHSDLB-UGKGYDQZSA-N 1 1 492.064 3.484 20 0 JGADMO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301873873 1066874179 /nfs/dbraw/zinc/87/41/79/1066874179.db2.gz BNSSVRGYMOEXPQ-HSZRJFAPSA-N 1 1 497.688 3.180 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)(C)C)CC1 ZINC001301876722 1066878078 /nfs/dbraw/zinc/87/80/78/1066878078.db2.gz GVOYUWWAWRQXCD-NRFANRHFSA-N 1 1 486.661 3.108 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CCOCC2)C[C@H]1C ZINC001301876843 1066878688 /nfs/dbraw/zinc/87/86/88/1066878688.db2.gz IJNLXINEYGPMRV-RTBURBONSA-N 1 1 461.582 3.141 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001301877266 1066879787 /nfs/dbraw/zinc/87/97/87/1066879787.db2.gz LJZXMHKMTMBZMT-LVCYWYKZSA-N 1 1 464.010 3.265 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccccn2)C[C@H]1C ZINC001301877717 1066879835 /nfs/dbraw/zinc/87/98/35/1066879835.db2.gz QWVCIMHEMDNWHW-UXHICEINSA-N 1 1 468.577 3.352 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001301879933 1066884862 /nfs/dbraw/zinc/88/48/62/1066884862.db2.gz PROBXKXHHHKFAS-QGZVFWFLSA-N 1 1 476.572 3.383 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001301880473 1066886118 /nfs/dbraw/zinc/88/61/18/1066886118.db2.gz WVRICCVBAUALME-HXUWFJFHSA-N 1 1 482.673 3.316 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001301880473 1066886135 /nfs/dbraw/zinc/88/61/35/1066886135.db2.gz WVRICCVBAUALME-HXUWFJFHSA-N 1 1 482.673 3.316 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@](=O)C(C)(C)C)C[C@H]1C ZINC001301881335 1066887833 /nfs/dbraw/zinc/88/78/33/1066887833.db2.gz DIJJKDBJDTWBPV-INZIPBBXSA-N 1 1 468.067 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@](=O)C(C)(C)C)C[C@H]1C ZINC001301881335 1066887843 /nfs/dbraw/zinc/88/78/43/1066887843.db2.gz DIJJKDBJDTWBPV-INZIPBBXSA-N 1 1 468.067 3.303 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001301881773 1066888929 /nfs/dbraw/zinc/88/89/29/1066888929.db2.gz ISPPVGUOTUXWDT-TXULOHPCSA-N 1 1 497.612 3.005 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001301881773 1066888938 /nfs/dbraw/zinc/88/89/38/1066888938.db2.gz ISPPVGUOTUXWDT-TXULOHPCSA-N 1 1 497.612 3.005 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2(OC)CCC2)C[C@@H]1C ZINC001301881919 1066889043 /nfs/dbraw/zinc/88/90/43/1066889043.db2.gz JBCCJAGXCVIPAR-KRWDZBQOSA-N 1 1 495.466 3.162 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCn2cc(C)cn2)C[C@@H]1C ZINC001301882372 1066889639 /nfs/dbraw/zinc/88/96/39/1066889639.db2.gz OHRLCAICNWMZQL-SFHVURJKSA-N 1 1 488.434 3.070 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001301882338 1066889704 /nfs/dbraw/zinc/88/97/04/1066889704.db2.gz NTJAOAQKITWASZ-AZUAARDMSA-N 1 1 478.435 3.291 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC2(C)C)C[C@@H]1C ZINC001301882731 1066891051 /nfs/dbraw/zinc/89/10/51/1066891051.db2.gz SQIMBTYTROPQMS-HOTGVXAUSA-N 1 1 465.440 3.249 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001301883397 1066891780 /nfs/dbraw/zinc/89/17/80/1066891780.db2.gz WEKSNWOMUILVPD-AWEZNQCLSA-N 1 1 473.366 3.240 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCC(C)(C)O ZINC001302304647 1066892196 /nfs/dbraw/zinc/89/21/96/1066892196.db2.gz YJAUYFCYZWFGLY-UNMCSNQZSA-N 1 1 475.609 3.015 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H]2C[C@H](F)C2)C[C@@H]1C ZINC001301883465 1066892233 /nfs/dbraw/zinc/89/22/33/1066892233.db2.gz YJSAKAGMUARMRB-BQFCYCMXSA-N 1 1 483.430 3.341 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNC(=O)C(C)(C)C)CC1 ZINC001301884856 1066893598 /nfs/dbraw/zinc/89/35/98/1066893598.db2.gz DXUGYEIKDNSWAW-UHFFFAOYSA-N 1 1 488.702 3.206 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2nc(C)c(C)s2)C[C@@H]1C ZINC001301885756 1066894725 /nfs/dbraw/zinc/89/47/25/1066894725.db2.gz MGPOLRCYEFGFHG-KRWDZBQOSA-N 1 1 470.643 3.427 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2nc(C)c(C)s2)C[C@H]1C ZINC001301885757 1066894768 /nfs/dbraw/zinc/89/47/68/1066894768.db2.gz MGPOLRCYEFGFHG-QGZVFWFLSA-N 1 1 470.643 3.427 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001301885901 1066895335 /nfs/dbraw/zinc/89/53/35/1066895335.db2.gz OJHSBPWMWYUTEK-PKOBYXMFSA-N 1 1 478.435 3.149 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](OC)C2CC2)C[C@H]1C ZINC001301885873 1066895559 /nfs/dbraw/zinc/89/55/59/1066895559.db2.gz OCAOSIBKJFLVNQ-OXQOHEQNSA-N 1 1 478.435 3.290 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001301886104 1066895836 /nfs/dbraw/zinc/89/58/36/1066895836.db2.gz RMPHSMOGSJJYNG-VXKWHMMOSA-N 1 1 470.662 3.375 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CC(F)(F)C2)C[C@@H]1C ZINC001301886077 1066895982 /nfs/dbraw/zinc/89/59/82/1066895982.db2.gz REFPWELIAXXYLS-INIZCTEOSA-N 1 1 465.545 3.165 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCCC2)C[C@@H]1C ZINC001301886372 1066897425 /nfs/dbraw/zinc/89/74/25/1066897425.db2.gz WMONGNXXFLSMMU-IBGZPJMESA-N 1 1 473.643 3.006 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001301886977 1066899016 /nfs/dbraw/zinc/89/90/16/1066899016.db2.gz FKRUZTUUFCVNFV-AWEZNQCLSA-N 1 1 480.013 3.297 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301887238 1066899140 /nfs/dbraw/zinc/89/91/40/1066899140.db2.gz GKVQCLNFDAZMNT-QGZVFWFLSA-N 1 1 495.441 3.099 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccnc2OCC(F)F)C[C@@H]1C ZINC001301887086 1066899468 /nfs/dbraw/zinc/89/94/68/1066899468.db2.gz FRKWSEKONGWDEG-INIZCTEOSA-N 1 1 476.528 3.091 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001301887124 1066899710 /nfs/dbraw/zinc/89/97/10/1066899710.db2.gz GKDSPHPYUOXLKE-GOSISDBHSA-N 1 1 466.634 3.069 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001301887124 1066899719 /nfs/dbraw/zinc/89/97/19/1066899719.db2.gz GKDSPHPYUOXLKE-GOSISDBHSA-N 1 1 466.634 3.069 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001301887124 1066899724 /nfs/dbraw/zinc/89/97/24/1066899724.db2.gz GKDSPHPYUOXLKE-GOSISDBHSA-N 1 1 466.634 3.069 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccco2)CC1 ZINC001301887261 1066900202 /nfs/dbraw/zinc/90/02/02/1066900202.db2.gz HDNNSQXNVDHNOG-UHFFFAOYSA-N 1 1 464.339 3.256 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001301887837 1066902070 /nfs/dbraw/zinc/90/20/70/1066902070.db2.gz LWQMFSFETUGQCI-BXKMTCNYSA-N 1 1 488.995 3.197 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](COC)OC)C[C@H]1C ZINC001301888440 1066903972 /nfs/dbraw/zinc/90/39/72/1066903972.db2.gz PEULBHDPRZEXIU-NVXWUHKLSA-N 1 1 472.417 3.070 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC(C)(C)COC ZINC001302310940 1066904415 /nfs/dbraw/zinc/90/44/15/1066904415.db2.gz FOVRVPJBNSZVES-ICSRJNTNSA-N 1 1 463.648 3.058 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCCCO2)CC1 ZINC001301888931 1066905132 /nfs/dbraw/zinc/90/51/32/1066905132.db2.gz SEBUHTHVFUMWOK-OAQYLSRUSA-N 1 1 473.618 3.078 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001301889081 1066905466 /nfs/dbraw/zinc/90/54/66/1066905466.db2.gz SRCLYDOXYFHISE-KRWDZBQOSA-N 1 1 476.622 3.307 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2ccc(OC)cc2)CC1 ZINC001301889220 1066906028 /nfs/dbraw/zinc/90/60/28/1066906028.db2.gz XOVHLIAQYWXUDY-UHFFFAOYSA-N 1 1 471.005 3.403 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)nc2)C[C@@H]1C ZINC001301889245 1066906647 /nfs/dbraw/zinc/90/66/47/1066906647.db2.gz YIPOXIOQJAHWCV-HNNXBMFYSA-N 1 1 462.385 3.247 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)Nc2ccccc2)C[C@H]1C ZINC001301889261 1066906717 /nfs/dbraw/zinc/90/67/17/1066906717.db2.gz YPYFNICTZHVGGO-GOSISDBHSA-N 1 1 484.004 3.179 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001301889339 1066907325 /nfs/dbraw/zinc/90/73/25/1066907325.db2.gz VXJRNGMLNILIMG-UHFFFAOYSA-N 1 1 499.990 3.198 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001301890076 1066909419 /nfs/dbraw/zinc/90/94/19/1066909419.db2.gz GHKNUBVGDZIUHG-FQEVSTJZSA-N 1 1 468.646 3.309 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)c2cccs2)C[C@@H]1C ZINC001301890094 1066909589 /nfs/dbraw/zinc/90/95/89/1066909589.db2.gz GTKJTWDWQFEHBV-MHECFPHRSA-N 1 1 471.627 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001301890919 1066910646 /nfs/dbraw/zinc/91/06/46/1066910646.db2.gz MGPOTSMWZXQNTL-VQTJNVASSA-N 1 1 472.634 3.263 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001301890988 1066910942 /nfs/dbraw/zinc/91/09/42/1066910942.db2.gz NQSDFBGWOONZRR-FYYLOGMGSA-N 1 1 457.619 3.173 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301891889 1066912740 /nfs/dbraw/zinc/91/27/40/1066912740.db2.gz RQKQHWNJSXEJER-VXKWHMMOSA-N 1 1 470.662 3.233 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)C2CC2)C[C@@H]1C ZINC001301892898 1066914044 /nfs/dbraw/zinc/91/40/44/1066914044.db2.gz XCFFMJDGBOTEBI-JXFKEZNVSA-N 1 1 478.435 3.290 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001301895838 1066916409 /nfs/dbraw/zinc/91/64/09/1066916409.db2.gz APUHISMVAUVOMJ-YADHBBJMSA-N 1 1 470.662 3.375 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001301895838 1066916420 /nfs/dbraw/zinc/91/64/20/1066916420.db2.gz APUHISMVAUVOMJ-YADHBBJMSA-N 1 1 470.662 3.375 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001301895825 1066916723 /nfs/dbraw/zinc/91/67/23/1066916723.db2.gz AGJMXRGGRSCILB-GOSISDBHSA-N 1 1 470.021 3.265 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2c(F)cccc2SC)C[C@H]1C ZINC001301896180 1066917847 /nfs/dbraw/zinc/91/78/47/1066917847.db2.gz OYONSHCRSKMPNY-QGZVFWFLSA-N 1 1 456.591 3.406 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896044 1066917970 /nfs/dbraw/zinc/91/79/70/1066917970.db2.gz DFWCKIYJULLVOZ-LEWJYISDSA-N 1 1 491.080 3.112 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896044 1066917979 /nfs/dbraw/zinc/91/79/79/1066917979.db2.gz DFWCKIYJULLVOZ-LEWJYISDSA-N 1 1 491.080 3.112 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)c2nccs2)C[C@@H]1C ZINC001301896300 1066918673 /nfs/dbraw/zinc/91/86/73/1066918673.db2.gz IOWMZSCPQONOTQ-MSOLQXFVSA-N 1 1 456.616 3.371 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301898327 1066922373 /nfs/dbraw/zinc/92/23/73/1066922373.db2.gz LBQILEVSHOYVPY-REWPJTCUSA-N 1 1 451.619 3.041 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301898325 1066922453 /nfs/dbraw/zinc/92/24/53/1066922453.db2.gz LBQILEVSHOYVPY-NZQKXSOJSA-N 1 1 451.619 3.041 20 0 JGADMO CC(C)(C)[S@@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302325604 1066925553 /nfs/dbraw/zinc/92/55/53/1066925553.db2.gz BYDMYQAQKVTCCA-YTTGMZPUSA-N 1 1 465.614 3.369 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001301900706 1066925641 /nfs/dbraw/zinc/92/56/41/1066925641.db2.gz MNJUXFFUDIYHIU-SFHVURJKSA-N 1 1 489.546 3.462 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CCSCC(F)(F)F)CC1 ZINC001301903029 1066928574 /nfs/dbraw/zinc/92/85/74/1066928574.db2.gz ZWJBRBMEUJUYNZ-UHFFFAOYSA-N 1 1 468.549 3.490 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301904576 1066930082 /nfs/dbraw/zinc/93/00/82/1066930082.db2.gz RWKOXVBIEZBZRU-ZVDOUQERSA-N 1 1 489.064 3.308 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001301906886 1066931121 /nfs/dbraw/zinc/93/11/21/1066931121.db2.gz HXZDXQUEGHCXGT-MRXNPFEDSA-N 1 1 464.010 3.421 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCCC3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001301907877 1066932466 /nfs/dbraw/zinc/93/24/66/1066932466.db2.gz RFFIYABAYPSDEF-QGZVFWFLSA-N 1 1 482.551 3.477 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001301908129 1066932510 /nfs/dbraw/zinc/93/25/10/1066932510.db2.gz UVFIMFDOLYKHAN-FQEVSTJZSA-N 1 1 464.655 3.253 20 0 JGADMO COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909368 1066933117 /nfs/dbraw/zinc/93/31/17/1066933117.db2.gz AHUYDQBKLTZLBQ-CVDCTZTESA-N 1 1 490.643 3.424 20 0 JGADMO COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909368 1066933128 /nfs/dbraw/zinc/93/31/28/1066933128.db2.gz AHUYDQBKLTZLBQ-CVDCTZTESA-N 1 1 490.643 3.424 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccccc2-c2cnn(C)c2)C[C@@H]1C ZINC001301909679 1066933406 /nfs/dbraw/zinc/93/34/06/1066933406.db2.gz DQTMZLPKEZVUMX-FQEVSTJZSA-N 1 1 451.619 3.082 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302334499 1066933559 /nfs/dbraw/zinc/93/35/59/1066933559.db2.gz GLVAVKYXHOGETB-FGTMMUONSA-N 1 1 489.583 3.075 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302334499 1066933566 /nfs/dbraw/zinc/93/35/66/1066933566.db2.gz GLVAVKYXHOGETB-FGTMMUONSA-N 1 1 489.583 3.075 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC001301909463 1066933633 /nfs/dbraw/zinc/93/36/33/1066933633.db2.gz BSTMPKCAUNMSTJ-INIZCTEOSA-N 1 1 455.525 3.422 20 0 JGADMO COCCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC001301909985 1066934337 /nfs/dbraw/zinc/93/43/37/1066934337.db2.gz AYXIIOZNIPVQBE-LADGPHEKSA-N 1 1 476.710 3.435 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301910466 1066934813 /nfs/dbraw/zinc/93/48/13/1066934813.db2.gz CNSCCGKWGHEVDS-MIZPHKNDSA-N 1 1 491.080 3.285 20 0 JGADMO Cc1[nH]nc(I)c1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001302340539 1066938756 /nfs/dbraw/zinc/93/87/56/1066938756.db2.gz SAHOKUXBDJRKFP-MRXNPFEDSA-N 1 1 452.340 3.497 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2c(F)cccc2N2CCCC2)C[C@H]1C ZINC001301912478 1066939400 /nfs/dbraw/zinc/93/94/00/1066939400.db2.gz RQVBVNGVRFNYAL-HXUWFJFHSA-N 1 1 458.626 3.421 20 0 JGADMO CC(C)(Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001302341498 1066940006 /nfs/dbraw/zinc/94/00/06/1066940006.db2.gz JTNPEYDSRKFCOV-IBGZPJMESA-N 1 1 463.573 3.492 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913052 1066941225 /nfs/dbraw/zinc/94/12/25/1066941225.db2.gz SJLOIZQBSRQENT-NOZRDPDXSA-N 1 1 498.716 3.315 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913052 1066941230 /nfs/dbraw/zinc/94/12/30/1066941230.db2.gz SJLOIZQBSRQENT-NOZRDPDXSA-N 1 1 498.716 3.315 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001301913942 1066943112 /nfs/dbraw/zinc/94/31/12/1066943112.db2.gz NSSGMOBLIZUPSR-ACESQOTJSA-N 1 1 476.710 3.433 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001301913942 1066943123 /nfs/dbraw/zinc/94/31/23/1066943123.db2.gz NSSGMOBLIZUPSR-ACESQOTJSA-N 1 1 476.710 3.433 20 0 JGADMO CON(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302347509 1066943928 /nfs/dbraw/zinc/94/39/28/1066943928.db2.gz JXXLINGXGYBWCT-KDURUIRLSA-N 1 1 456.639 3.206 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001301916522 1066947041 /nfs/dbraw/zinc/94/70/41/1066947041.db2.gz XTEKRIHVGSKULK-YLJYHZDGSA-N 1 1 494.036 3.396 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccccc2F)C[C@H]1C ZINC001301918304 1066948291 /nfs/dbraw/zinc/94/82/91/1066948291.db2.gz HDBWTSNQZURYEB-WOJBJXKFSA-N 1 1 468.577 3.027 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2cccc(C)c2)C[C@@H]1C ZINC001301918344 1066948375 /nfs/dbraw/zinc/94/83/75/1066948375.db2.gz IJUBIOUGOXRTSL-FCHUYYIVSA-N 1 1 464.614 3.197 20 0 JGADMO CON(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302357313 1066948912 /nfs/dbraw/zinc/94/89/12/1066948912.db2.gz NQILEDOPTZLWHT-UHFFFAOYSA-N 1 1 458.651 3.426 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCS2)C[C@@H]1C ZINC001301918969 1066949754 /nfs/dbraw/zinc/94/97/54/1066949754.db2.gz LZNVCXQEGKVHQB-QFBILLFUSA-N 1 1 450.678 3.076 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2c(F)cccc2Cl)C[C@@H]1C ZINC001301918756 1066949864 /nfs/dbraw/zinc/94/98/64/1066949864.db2.gz LVWQCQYOEJUDIV-KRWDZBQOSA-N 1 1 458.969 3.262 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC001301918904 1066950303 /nfs/dbraw/zinc/95/03/03/1066950303.db2.gz DYYYWUJPJGOSKD-SFHVURJKSA-N 1 1 471.005 3.131 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cc(C(C)(C)C)no2)C[C@@H]1C ZINC001301919303 1066950894 /nfs/dbraw/zinc/95/08/94/1066950894.db2.gz IGTPIHNJTZJFMF-IBGZPJMESA-N 1 1 482.629 3.368 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(F)cc2C)C[C@@H]1C ZINC001301919237 1066951031 /nfs/dbraw/zinc/95/10/31/1066951031.db2.gz PIKMDTAUZSDMAJ-FQEVSTJZSA-N 1 1 452.578 3.111 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC001301919350 1066951752 /nfs/dbraw/zinc/95/17/52/1066951752.db2.gz RKPOIUNLXWBNAU-XXBNENTESA-N 1 1 485.032 3.462 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCSC(F)(F)F)C[C@H]1C ZINC001301919674 1066952100 /nfs/dbraw/zinc/95/21/00/1066952100.db2.gz SOKPKXMBIALHMX-CYBMUJFWSA-N 1 1 464.583 3.044 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCCS2)C[C@@H]1C ZINC001301920043 1066952793 /nfs/dbraw/zinc/95/27/93/1066952793.db2.gz MQDABUJNRHUNTE-PZJWPPBQSA-N 1 1 459.660 3.320 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)C[C@H]1C ZINC001301919809 1066953006 /nfs/dbraw/zinc/95/30/06/1066953006.db2.gz VJGSBAYVZKFWDM-JCTONOIOSA-N 1 1 470.662 3.262 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2sc(C)nc2C)C[C@H]1C ZINC001301920660 1066953469 /nfs/dbraw/zinc/95/34/69/1066953469.db2.gz QHWYLXLUCJODRJ-QGZVFWFLSA-N 1 1 470.643 3.156 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2sc(C)nc2C)C[C@@H]1C ZINC001301920659 1066953560 /nfs/dbraw/zinc/95/35/60/1066953560.db2.gz QHWYLXLUCJODRJ-KRWDZBQOSA-N 1 1 470.643 3.156 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001301920506 1066953575 /nfs/dbraw/zinc/95/35/75/1066953575.db2.gz YQKXIJPUGWQSQX-UHFFFAOYSA-N 1 1 474.531 3.294 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccccc2C)C[C@H]1C ZINC001301920512 1066953602 /nfs/dbraw/zinc/95/36/02/1066953602.db2.gz YRDHSLYLABLXFH-LJQANCHMSA-N 1 1 454.644 3.342 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001301921133 1066954066 /nfs/dbraw/zinc/95/40/66/1066954066.db2.gz QRBVXUDBKOUXRR-QHCPKHFHSA-N 1 1 498.672 3.345 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301921252 1066954604 /nfs/dbraw/zinc/95/46/04/1066954604.db2.gz RXUBCMMHMSCKPV-FGZHOGPDSA-N 1 1 472.653 3.287 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(F)ccc2SC)C[C@H]1C ZINC001301921196 1066954718 /nfs/dbraw/zinc/95/47/18/1066954718.db2.gz REIBJTRQIAEHPS-GOSISDBHSA-N 1 1 470.618 3.330 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001301921255 1066954862 /nfs/dbraw/zinc/95/48/62/1066954862.db2.gz RYHSEVBWGGRERW-NRFANRHFSA-N 1 1 486.661 3.201 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC001301922356 1066956097 /nfs/dbraw/zinc/95/60/97/1066956097.db2.gz KJDFLVDQOASIPZ-IBGZPJMESA-N 1 1 457.619 3.233 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301922726 1066956426 /nfs/dbraw/zinc/95/64/26/1066956426.db2.gz YNSQDERUFIUWAT-NHTMILBNSA-N 1 1 468.690 3.455 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301922726 1066956436 /nfs/dbraw/zinc/95/64/36/1066956436.db2.gz YNSQDERUFIUWAT-NHTMILBNSA-N 1 1 468.690 3.455 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2ccccc2Cl)CC1 ZINC001301923028 1066957007 /nfs/dbraw/zinc/95/70/07/1066957007.db2.gz POILXFWERHXKFA-QHCPKHFHSA-N 1 1 476.046 3.260 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[C@@](C)(O)c2ccccc2)C[C@@H]1C ZINC001301923006 1066957100 /nfs/dbraw/zinc/95/71/00/1066957100.db2.gz PCGJZFFWJNUMHJ-NBGIEHNGSA-N 1 1 469.655 3.385 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001301923563 1066957642 /nfs/dbraw/zinc/95/76/42/1066957642.db2.gz QDCMLDHOTBUWCA-IRLDBZIGSA-N 1 1 490.693 3.425 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001301926204 1066959649 /nfs/dbraw/zinc/95/96/49/1066959649.db2.gz BITPUOKAUJGWQN-MOPGFXCFSA-N 1 1 469.556 3.202 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCOC[C@@H]2C)C[C@@H]1C ZINC001301926839 1066960189 /nfs/dbraw/zinc/96/01/89/1066960189.db2.gz NKJTTWMUQOREDR-FIXSFTCYSA-N 1 1 455.647 3.283 20 0 JGADMO CC(C)=CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001302373991 1066960583 /nfs/dbraw/zinc/96/05/83/1066960583.db2.gz QLDRWBFCGGXWBD-KNQAVFIVSA-N 1 1 487.048 3.375 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)c2ccco2)C[C@@H]1C ZINC001301927433 1066962025 /nfs/dbraw/zinc/96/20/25/1066962025.db2.gz GABPWWGTYNXVGV-LVXARBLLSA-N 1 1 483.613 3.132 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2OCCC2(C)C)C[C@H]1C ZINC001301927391 1066962109 /nfs/dbraw/zinc/96/21/09/1066962109.db2.gz DVTMNLBBBKNARQ-GGAORHGYSA-N 1 1 471.646 3.446 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCSC2)CC1 ZINC001301927553 1066962668 /nfs/dbraw/zinc/96/26/68/1066962668.db2.gz JDSRYYHEIOBAOR-OAQYLSRUSA-N 1 1 459.660 3.386 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2c(C)noc2C)C[C@@H]1C ZINC001301927489 1066962778 /nfs/dbraw/zinc/96/27/78/1066962778.db2.gz HHBGDPAWVSPWEB-IBGZPJMESA-N 1 1 468.602 3.170 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001301927624 1066963355 /nfs/dbraw/zinc/96/33/55/1066963355.db2.gz KYVQDPCFGSAHFW-NRFANRHFSA-N 1 1 450.587 3.074 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301927573 1066963517 /nfs/dbraw/zinc/96/35/17/1066963517.db2.gz JRMDIYGHJIPHQE-GOTSBHOMSA-N 1 1 470.662 3.054 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301927573 1066963524 /nfs/dbraw/zinc/96/35/24/1066963524.db2.gz JRMDIYGHJIPHQE-GOTSBHOMSA-N 1 1 470.662 3.054 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001302380014 1066963593 /nfs/dbraw/zinc/96/35/93/1066963593.db2.gz HIEFODIVXGNUQV-QGZVFWFLSA-N 1 1 470.401 3.111 20 0 JGADMO COCCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001301927773 1066963976 /nfs/dbraw/zinc/96/39/76/1066963976.db2.gz NNKQFPSYPIYHPJ-QHCPKHFHSA-N 1 1 470.662 3.117 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001301927978 1066965411 /nfs/dbraw/zinc/96/54/11/1066965411.db2.gz QMOYRVRVWCSYPI-MJGOQNOKSA-N 1 1 451.974 3.417 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2ccccn2)C[C@H]1C ZINC001301928754 1066965829 /nfs/dbraw/zinc/96/58/29/1066965829.db2.gz XFFDCORIDIOZHB-JOCHJYFZSA-N 1 1 464.614 3.269 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1C ZINC001301929008 1066966093 /nfs/dbraw/zinc/96/60/93/1066966093.db2.gz YXPNRDADBKYQHM-FUPPJEDESA-N 1 1 457.619 3.138 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301928920 1066966479 /nfs/dbraw/zinc/96/64/79/1066966479.db2.gz YDJKPHBRWWMKRX-VWNXMTODSA-N 1 1 484.689 3.443 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301928920 1066966491 /nfs/dbraw/zinc/96/64/91/1066966491.db2.gz YDJKPHBRWWMKRX-VWNXMTODSA-N 1 1 484.689 3.443 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001301931551 1066969033 /nfs/dbraw/zinc/96/90/33/1066969033.db2.gz DFKNFRUPBYUUAI-FQEVSTJZSA-N 1 1 482.654 3.488 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001301931552 1066969172 /nfs/dbraw/zinc/96/91/72/1066969172.db2.gz DFKNFRUPBYUUAI-HXUWFJFHSA-N 1 1 482.654 3.488 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC001301932558 1066971235 /nfs/dbraw/zinc/97/12/35/1066971235.db2.gz YRAYMHPOARBPPT-PKOBYXMFSA-N 1 1 497.566 3.203 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccc(F)c2)CC1 ZINC001301933505 1066973411 /nfs/dbraw/zinc/97/34/11/1066973411.db2.gz OJKRDRIYSNTNIJ-NRFANRHFSA-N 1 1 488.608 3.306 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)O)C[C@H]1C ZINC001301934200 1066974186 /nfs/dbraw/zinc/97/41/86/1066974186.db2.gz VWJOUKJMSNFAGK-OAHLLOKOSA-N 1 1 472.417 3.092 20 0 JGADMO CC(=O)NCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301935067 1066975441 /nfs/dbraw/zinc/97/54/41/1066975441.db2.gz CUZXPLUONQYHRV-FQEVSTJZSA-N 1 1 468.646 3.311 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001301937387 1066980555 /nfs/dbraw/zinc/98/05/55/1066980555.db2.gz KWMDDVIXXFPIPC-FCHUYYIVSA-N 1 1 482.673 3.495 20 0 JGADMO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001301937397 1066980625 /nfs/dbraw/zinc/98/06/25/1066980625.db2.gz KWMDDVIXXFPIPC-YADHBBJMSA-N 1 1 482.673 3.495 20 0 JGADMO CO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001302401635 1066981555 /nfs/dbraw/zinc/98/15/55/1066981555.db2.gz PTMPOXCHPJUJNV-QFIPXVFZSA-N 1 1 457.619 3.102 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001302403537 1066984008 /nfs/dbraw/zinc/98/40/08/1066984008.db2.gz KAHRBFKFTKFMIU-GOSISDBHSA-N 1 1 475.037 3.298 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C[C@@H]1OC ZINC001302405907 1066987071 /nfs/dbraw/zinc/98/70/71/1066987071.db2.gz LYPXJWSZMSLOSQ-PBWTXFEYSA-N 1 1 451.612 3.100 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C[C@@H]1OC ZINC001302405907 1066987081 /nfs/dbraw/zinc/98/70/81/1066987081.db2.gz LYPXJWSZMSLOSQ-PBWTXFEYSA-N 1 1 451.612 3.100 20 0 JGADMO CO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001302405852 1066987139 /nfs/dbraw/zinc/98/71/39/1066987139.db2.gz JTEQUHVSGMTKFL-ZCNNSNEGSA-N 1 1 476.666 3.396 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301942785 1066992334 /nfs/dbraw/zinc/99/23/34/1066992334.db2.gz NTCQXMIDOMHNIA-RZUBCFFCSA-N 1 1 474.694 3.109 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302410301 1066994258 /nfs/dbraw/zinc/99/42/58/1066994258.db2.gz IJKLBVQCCKATBW-LJQANCHMSA-N 1 1 489.064 3.450 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302410301 1066994267 /nfs/dbraw/zinc/99/42/67/1066994267.db2.gz IJKLBVQCCKATBW-LJQANCHMSA-N 1 1 489.064 3.450 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302410299 1066994319 /nfs/dbraw/zinc/99/43/19/1066994319.db2.gz IJKLBVQCCKATBW-IBGZPJMESA-N 1 1 489.064 3.450 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302410299 1066994329 /nfs/dbraw/zinc/99/43/29/1066994329.db2.gz IJKLBVQCCKATBW-IBGZPJMESA-N 1 1 489.064 3.450 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001301943937 1066995014 /nfs/dbraw/zinc/99/50/14/1066995014.db2.gz JQCFBXDNDHPURE-HSZRJFAPSA-N 1 1 496.700 3.119 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1OC ZINC001302418246 1067002084 /nfs/dbraw/zinc/00/20/84/1067002084.db2.gz FLYBFCGBDUVUII-PTUXOGIPSA-N 1 1 475.609 3.214 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001302421032 1067006641 /nfs/dbraw/zinc/00/66/41/1067006641.db2.gz IKDTWYIWMIRATC-UHFFFAOYSA-N 1 1 453.635 3.203 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302422063 1067008181 /nfs/dbraw/zinc/00/81/81/1067008181.db2.gz FZTYRTVXVHIYHW-LEWJYISDSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303958758 1067013358 /nfs/dbraw/zinc/01/33/58/1067013358.db2.gz HLLUEQMDIRVDRX-UXHICEINSA-N 1 1 460.667 3.035 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001303963206 1067016377 /nfs/dbraw/zinc/01/63/77/1067016377.db2.gz QZLOIXXTRBITIW-UHFFFAOYSA-N 1 1 456.557 3.301 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001303962912 1067016569 /nfs/dbraw/zinc/01/65/69/1067016569.db2.gz ODKOKOKCBVLPBG-UHFFFAOYSA-N 1 1 465.568 3.070 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001302431287 1067018601 /nfs/dbraw/zinc/01/86/01/1067018601.db2.gz IKCKYTMWFBFPAX-VWLOTQADSA-N 1 1 495.716 3.208 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001302431270 1067018729 /nfs/dbraw/zinc/01/87/29/1067018729.db2.gz IFNRBAQMTYMJDS-OAQYLSRUSA-N 1 1 482.677 3.378 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001302433277 1067023725 /nfs/dbraw/zinc/02/37/25/1067023725.db2.gz JHSCNEMHVWUVIS-XPWALMASSA-N 1 1 474.694 3.425 20 0 JGADMO CC1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001303980424 1067027848 /nfs/dbraw/zinc/02/78/48/1067027848.db2.gz WTUWVIMMCSRTQV-UHFFFAOYSA-N 1 1 484.464 3.495 20 0 JGADMO CC1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001303980424 1067027863 /nfs/dbraw/zinc/02/78/63/1067027863.db2.gz WTUWVIMMCSRTQV-UHFFFAOYSA-N 1 1 484.464 3.495 20 0 JGADMO CC1(C)COCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1 ZINC001303982437 1067030497 /nfs/dbraw/zinc/03/04/97/1067030497.db2.gz ZOOIBASHWQHWDN-UHFFFAOYSA-N 1 1 498.455 3.483 20 0 JGADMO CC1(C)COCC[N@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1 ZINC001303982437 1067030510 /nfs/dbraw/zinc/03/05/10/1067030510.db2.gz ZOOIBASHWQHWDN-UHFFFAOYSA-N 1 1 498.455 3.483 20 0 JGADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCCO)C1 ZINC001303997130 1067038761 /nfs/dbraw/zinc/03/87/61/1067038761.db2.gz JDYSVHLLVCUJOY-JOCHJYFZSA-N 1 1 496.425 3.310 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001303997234 1067039386 /nfs/dbraw/zinc/03/93/86/1067039386.db2.gz KHOHHGQYPYDTSY-CJFMBICVSA-N 1 1 473.687 3.423 20 0 JGADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc([C@@H]3CCCCO3)n2CCSCC(F)(F)F)C1 ZINC001303997754 1067040155 /nfs/dbraw/zinc/04/01/55/1067040155.db2.gz MMXHOQFEASKHSE-LPHOPBHVSA-N 1 1 463.570 3.116 20 0 JGADMO CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303998489 1067041003 /nfs/dbraw/zinc/04/10/03/1067041003.db2.gz VPMZLTBMZNOMNL-UHFFFAOYSA-N 1 1 467.618 3.486 20 0 JGADMO CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302444321 1067042875 /nfs/dbraw/zinc/04/28/75/1067042875.db2.gz RAGCRGYHTXIMMR-LADGPHEKSA-N 1 1 482.673 3.435 20 0 JGADMO Cc1ccoc1C(=O)NCCCn1c(-c2ccccc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304008675 1067051311 /nfs/dbraw/zinc/05/13/11/1067051311.db2.gz UZJQOMBKFXJFRE-OYRHEFFESA-N 1 1 480.613 3.212 20 0 JGADMO Cc1ccoc1C(=O)NCCCn1c(-c2ccccc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304008675 1067051324 /nfs/dbraw/zinc/05/13/24/1067051324.db2.gz UZJQOMBKFXJFRE-OYRHEFFESA-N 1 1 480.613 3.212 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304010538 1067052628 /nfs/dbraw/zinc/05/26/28/1067052628.db2.gz KGXMSNDYGZPOMB-HSZRJFAPSA-N 1 1 491.640 3.389 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304012900 1067056554 /nfs/dbraw/zinc/05/65/54/1067056554.db2.gz ICPMQJIFEAMCEO-PKTZIBPZSA-N 1 1 498.672 3.221 20 0 JGADMO CS(=O)(=O)CCCn1c(Cc2ccsc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001302458669 1067061495 /nfs/dbraw/zinc/06/14/95/1067061495.db2.gz KHCDGBWIHQVWGO-UHFFFAOYSA-N 1 1 465.689 3.067 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC001304018396 1067061947 /nfs/dbraw/zinc/06/19/47/1067061947.db2.gz JDGBXAMFDXSMPT-QNWVGRARSA-N 1 1 498.672 3.203 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCC(=O)NC(C)C)c1C ZINC001304021268 1067065181 /nfs/dbraw/zinc/06/51/81/1067065181.db2.gz YAMAVYWGGWQGQV-MZYLBHOOSA-N 1 1 498.672 3.107 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001304022492 1067066457 /nfs/dbraw/zinc/06/64/57/1067066457.db2.gz WCRHSTITRBEHCS-LEWJYISDSA-N 1 1 468.646 3.469 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001304022495 1067066774 /nfs/dbraw/zinc/06/67/74/1067066774.db2.gz WCRHSTITRBEHCS-SFTDATJTSA-N 1 1 468.646 3.469 20 0 JGADMO CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302477794 1067079015 /nfs/dbraw/zinc/07/90/15/1067079015.db2.gz FXGPJMHPVRNJCS-WOJBJXKFSA-N 1 1 462.683 3.280 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)=C(C)C1 ZINC001304031083 1067079273 /nfs/dbraw/zinc/07/92/73/1067079273.db2.gz BLBOCZYNMMSMCC-UHFFFAOYSA-N 1 1 483.642 3.337 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCNC(=O)C(C)C)c1C ZINC001304031694 1067080187 /nfs/dbraw/zinc/08/01/87/1067080187.db2.gz WXBFAMRELIKGCD-DHIUTWEWSA-N 1 1 498.672 3.108 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001304031927 1067080983 /nfs/dbraw/zinc/08/09/83/1067080983.db2.gz YKBVJYAODRQVGC-FCHUYYIVSA-N 1 1 483.661 3.321 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001302486770 1067085829 /nfs/dbraw/zinc/08/58/29/1067085829.db2.gz IMZPQSBGIXRVFY-VWLOTQADSA-N 1 1 489.064 3.140 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001302486770 1067085841 /nfs/dbraw/zinc/08/58/41/1067085841.db2.gz IMZPQSBGIXRVFY-VWLOTQADSA-N 1 1 489.064 3.140 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302487992 1067087378 /nfs/dbraw/zinc/08/73/78/1067087378.db2.gz RPSRUEOJMDKRIP-BVFVYWQFSA-N 1 1 466.630 3.446 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302487992 1067087385 /nfs/dbraw/zinc/08/73/85/1067087385.db2.gz RPSRUEOJMDKRIP-BVFVYWQFSA-N 1 1 466.630 3.446 20 0 JGADMO Cc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)sc1C ZINC001304046267 1067089470 /nfs/dbraw/zinc/08/94/70/1067089470.db2.gz XLRPYOFWRRFOSU-UHFFFAOYSA-N 1 1 473.691 3.387 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302493077 1067092896 /nfs/dbraw/zinc/09/28/96/1067092896.db2.gz QGQVXOGHFZNPPZ-RUZDIDTESA-N 1 1 467.618 3.312 20 0 JGADMO Cc1nc(Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001304053801 1067094655 /nfs/dbraw/zinc/09/46/55/1067094655.db2.gz ZAWLEUHYWQNMLI-HSZRJFAPSA-N 1 1 462.664 3.361 20 0 JGADMO Cc1nc(Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001304053803 1067094894 /nfs/dbraw/zinc/09/48/94/1067094894.db2.gz ZAWLEUHYWQNMLI-QHCPKHFHSA-N 1 1 462.664 3.361 20 0 JGADMO Cc1n[nH]cc1CCCn1c(CC(C)C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001304063034 1067107371 /nfs/dbraw/zinc/10/73/71/1067107371.db2.gz UDDGJERRKRDRBC-BGYRXZFFSA-N 1 1 457.667 3.467 20 0 JGADMO Cc1ncsc1CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001304065957 1067110674 /nfs/dbraw/zinc/11/06/74/1067110674.db2.gz RNCRMJKKTXMIRV-UHFFFAOYSA-N 1 1 459.664 3.078 20 0 JGADMO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001304072081 1067116171 /nfs/dbraw/zinc/11/61/71/1067116171.db2.gz IDGSGPUGCFFLOX-UHFFFAOYSA-N 1 1 452.983 3.421 20 0 JGADMO Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001304072081 1067116179 /nfs/dbraw/zinc/11/61/79/1067116179.db2.gz IDGSGPUGCFFLOX-UHFFFAOYSA-N 1 1 452.983 3.421 20 0 JGADMO CN1CCN(C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC[N@@H+](C)CC1 ZINC001304072016 1067116229 /nfs/dbraw/zinc/11/62/29/1067116229.db2.gz HFPFUNDFFFTJBH-UHFFFAOYSA-N 1 1 459.388 3.021 20 0 JGADMO CSC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001302511011 1067120507 /nfs/dbraw/zinc/12/05/07/1067120507.db2.gz NQEJEKBBJFMHJX-UHFFFAOYSA-N 1 1 456.660 3.368 20 0 JGADMO Cc1occc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304076256 1067120555 /nfs/dbraw/zinc/12/05/55/1067120555.db2.gz KTGDDJGHWZVIHF-ROUUACIJSA-N 1 1 481.601 3.351 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCC[C@H](C)C2)cnn1C ZINC001304079600 1067124364 /nfs/dbraw/zinc/12/43/64/1067124364.db2.gz OUEBYSWIFBOPDG-HNNXBMFYSA-N 1 1 475.439 3.446 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302512412 1067124837 /nfs/dbraw/zinc/12/48/37/1067124837.db2.gz YKEJELVGEPEVIQ-FQEVSTJZSA-N 1 1 474.694 3.424 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302512412 1067124845 /nfs/dbraw/zinc/12/48/45/1067124845.db2.gz YKEJELVGEPEVIQ-FQEVSTJZSA-N 1 1 474.694 3.424 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cnn1C ZINC001304082720 1067129571 /nfs/dbraw/zinc/12/95/71/1067129571.db2.gz PPLQUHDWOPIGSY-KRWDZBQOSA-N 1 1 473.025 3.173 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001302514641 1067131381 /nfs/dbraw/zinc/13/13/81/1067131381.db2.gz REFRPESPYZYMPM-MRXNPFEDSA-N 1 1 484.464 3.353 20 0 JGADMO Cc1c(CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cnn1C ZINC001304091355 1067133851 /nfs/dbraw/zinc/13/38/51/1067133851.db2.gz BLUPUECOVXIBPQ-QFIPXVFZSA-N 1 1 450.635 3.310 20 0 JGADMO Cc1c(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cnn1C ZINC001304092010 1067135128 /nfs/dbraw/zinc/13/51/28/1067135128.db2.gz OPWICWYFKXCYBX-IBGZPJMESA-N 1 1 450.635 3.453 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)c1cccnc1 ZINC001302516608 1067135761 /nfs/dbraw/zinc/13/57/61/1067135761.db2.gz WAZOGRRKOUVVQS-JOCHJYFZSA-N 1 1 466.634 3.060 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)c1cccnc1 ZINC001302516608 1067135765 /nfs/dbraw/zinc/13/57/65/1067135765.db2.gz WAZOGRRKOUVVQS-JOCHJYFZSA-N 1 1 466.634 3.060 20 0 JGADMO CC(C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302517107 1067136259 /nfs/dbraw/zinc/13/62/59/1067136259.db2.gz ZDGHXIDUPRNZMV-UXHICEINSA-N 1 1 462.639 3.006 20 0 JGADMO CC(C)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)(C)C)[NH+]1CCOCC1 ZINC001302517050 1067136369 /nfs/dbraw/zinc/13/63/69/1067136369.db2.gz YFWWFFPZTYXMLB-NRFANRHFSA-N 1 1 481.645 3.031 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)(C)C)[NH+]1CCOCC1 ZINC001302517051 1067136419 /nfs/dbraw/zinc/13/64/19/1067136419.db2.gz YFWWFFPZTYXMLB-OAQYLSRUSA-N 1 1 481.645 3.031 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(CC(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001304093171 1067137062 /nfs/dbraw/zinc/13/70/62/1067137062.db2.gz KMSUTPWVUBIAAI-UHFFFAOYSA-N 1 1 468.675 3.485 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC001304097424 1067138852 /nfs/dbraw/zinc/13/88/52/1067138852.db2.gz QBUBOBFHWNJESS-HSZRJFAPSA-N 1 1 485.608 3.031 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001302519382 1067139075 /nfs/dbraw/zinc/13/90/75/1067139075.db2.gz NEAZLDNFPGRPNT-GGPKGHCWSA-N 1 1 457.623 3.495 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302524298 1067145925 /nfs/dbraw/zinc/14/59/25/1067145925.db2.gz FHPPOKHUKGXLSI-UXHICEINSA-N 1 1 490.674 3.001 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302524298 1067145932 /nfs/dbraw/zinc/14/59/32/1067145932.db2.gz FHPPOKHUKGXLSI-UXHICEINSA-N 1 1 490.674 3.001 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001302524280 1067146054 /nfs/dbraw/zinc/14/60/54/1067146054.db2.gz DVBZSGYHAXDUHZ-OAQYLSRUSA-N 1 1 462.038 3.494 20 0 JGADMO Cc1nnsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304104982 1067146449 /nfs/dbraw/zinc/14/64/49/1067146449.db2.gz OOQWESJAUUGJQL-UHFFFAOYSA-N 1 1 480.013 3.493 20 0 JGADMO Cc1nnsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304104982 1067146451 /nfs/dbraw/zinc/14/64/51/1067146451.db2.gz OOQWESJAUUGJQL-UHFFFAOYSA-N 1 1 480.013 3.493 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCc1cnccn1)[NH+]1CCOCC1 ZINC001302524633 1067146592 /nfs/dbraw/zinc/14/65/92/1067146592.db2.gz HLJPVTVGAZTHDI-HSZRJFAPSA-N 1 1 484.048 3.348 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302525193 1067147275 /nfs/dbraw/zinc/14/72/75/1067147275.db2.gz LPISIWFSPIJPQP-NHCUHLMSSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302526436 1067151255 /nfs/dbraw/zinc/15/12/55/1067151255.db2.gz VFMBRPCGMKNYJK-XZOQPEGZSA-N 1 1 470.662 3.405 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1)[NH+]1CCOCC1 ZINC001302526474 1067151731 /nfs/dbraw/zinc/15/17/31/1067151731.db2.gz VSMFPJAYPWACTR-ZQWSTMGVSA-N 1 1 489.686 3.074 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1)[NH+]1CCOCC1 ZINC001302526473 1067151739 /nfs/dbraw/zinc/15/17/39/1067151739.db2.gz VSMFPJAYPWACTR-VXNZESBISA-N 1 1 489.686 3.074 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302527121 1067153018 /nfs/dbraw/zinc/15/30/18/1067153018.db2.gz XOZMJOPXSKQWEK-NHCUHLMSSA-N 1 1 476.710 3.355 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCOCC1 ZINC001302527211 1067153067 /nfs/dbraw/zinc/15/30/67/1067153067.db2.gz APEWUUVNGGTGCP-HSZRJFAPSA-N 1 1 468.646 3.103 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCOCC1 ZINC001302527797 1067154828 /nfs/dbraw/zinc/15/48/28/1067154828.db2.gz ZHHWRQMWEMMRSG-RBBKRZOGSA-N 1 1 475.609 3.183 20 0 JGADMO CS[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001302533780 1067162823 /nfs/dbraw/zinc/16/28/23/1067162823.db2.gz DBACKAONQGMLQG-GOSISDBHSA-N 1 1 460.623 3.117 20 0 JGADMO CS[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001302535772 1067166276 /nfs/dbraw/zinc/16/62/76/1067166276.db2.gz PVUVYOVLFAAXBZ-CYFREDJKSA-N 1 1 472.659 3.200 20 0 JGADMO CC(C)c1nc(CCn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001302546813 1067181047 /nfs/dbraw/zinc/18/10/47/1067181047.db2.gz NQOPYHVNBRFBHF-UHFFFAOYSA-N 1 1 470.647 3.105 20 0 JGADMO CC(C)c1nc(CCn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001302546813 1067181055 /nfs/dbraw/zinc/18/10/55/1067181055.db2.gz NQOPYHVNBRFBHF-UHFFFAOYSA-N 1 1 470.647 3.105 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304140873 1067182328 /nfs/dbraw/zinc/18/23/28/1067182328.db2.gz OCHRERHTFCYCSB-LFALDJFMSA-N 1 1 478.037 3.369 20 0 JGADMO CS[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302549469 1067186449 /nfs/dbraw/zinc/18/64/49/1067186449.db2.gz YSFVIPXZHYUJJH-QWHCGFSZSA-N 1 1 458.451 3.041 20 0 JGADMO CS[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302549469 1067186453 /nfs/dbraw/zinc/18/64/53/1067186453.db2.gz YSFVIPXZHYUJJH-QWHCGFSZSA-N 1 1 458.451 3.041 20 0 JGADMO CS[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001302549546 1067186593 /nfs/dbraw/zinc/18/65/93/1067186593.db2.gz ZPJHUIJJFVEZSX-CVEARBPZSA-N 1 1 497.507 3.487 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOCC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001304144634 1067187122 /nfs/dbraw/zinc/18/71/22/1067187122.db2.gz RTHKQBVNACKNFN-YLJYHZDGSA-N 1 1 478.037 3.493 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)no1 ZINC001304146310 1067189414 /nfs/dbraw/zinc/18/94/14/1067189414.db2.gz BGLIXLMSFJSJDA-OAQYLSRUSA-N 1 1 471.650 3.292 20 0 JGADMO Cc1cc([C@](C)(O)Cn2c(-c3cccn3C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304151464 1067197023 /nfs/dbraw/zinc/19/70/23/1067197023.db2.gz QOMQXIWBNICHPE-AREMUKBSSA-N 1 1 484.645 3.196 20 0 JGADMO Cc1cc([C@@](C)(O)Cn2c(-c3cccn3C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304151468 1067197072 /nfs/dbraw/zinc/19/70/72/1067197072.db2.gz QOMQXIWBNICHPE-SANMLTNESA-N 1 1 484.645 3.196 20 0 JGADMO CS[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001302560023 1067200467 /nfs/dbraw/zinc/20/04/67/1067200467.db2.gz ASXDRVTVIVFQSG-HXUWFJFHSA-N 1 1 452.628 3.216 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302563022 1067202233 /nfs/dbraw/zinc/20/22/33/1067202233.db2.gz PXLBRPKYTSKHRJ-FQEVSTJZSA-N 1 1 490.718 3.276 20 0 JGADMO CC(C)c1nnc([C@@H]2CN(c3nnc(COc4ccccc4F)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001302562537 1067202466 /nfs/dbraw/zinc/20/24/66/1067202466.db2.gz MYCRYZVEFOUANR-FQEVSTJZSA-N 1 1 487.580 3.421 20 0 JGADMO CC(C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001302563616 1067203399 /nfs/dbraw/zinc/20/33/99/1067203399.db2.gz SSHOVKBCKIQATR-MSOLQXFVSA-N 1 1 457.710 3.021 20 0 JGADMO CS[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001302565607 1067204965 /nfs/dbraw/zinc/20/49/65/1067204965.db2.gz FMXCMULQFXHTFL-FQEVSTJZSA-N 1 1 469.659 3.363 20 0 JGADMO CS[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302565825 1067205387 /nfs/dbraw/zinc/20/53/87/1067205387.db2.gz IMIVLZCYCSZVHW-LEWJYISDSA-N 1 1 459.660 3.384 20 0 JGADMO CS[C@H](C)Cn1c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001302570100 1067209313 /nfs/dbraw/zinc/20/93/13/1067209313.db2.gz PSJNHYDLHVRHSX-YYDVJCTNSA-N 1 1 451.681 3.381 20 0 JGADMO Cc1cc(C)cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001304162966 1067209891 /nfs/dbraw/zinc/20/98/91/1067209891.db2.gz CPSOKBCAHQGKRH-LEWJYISDSA-N 1 1 488.702 3.058 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001304164562 1067211227 /nfs/dbraw/zinc/21/12/27/1067211227.db2.gz QPCMPMMTUCCWDT-UHFFFAOYSA-N 1 1 472.597 3.469 20 0 JGADMO CC(C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001302571796 1067211740 /nfs/dbraw/zinc/21/17/40/1067211740.db2.gz GSGSXDZXCSLEIH-UHFFFAOYSA-N 1 1 466.671 3.453 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302573416 1067212608 /nfs/dbraw/zinc/21/26/08/1067212608.db2.gz VFOSMPVGCQTNCL-KSEOMHKRSA-N 1 1 459.660 3.326 20 0 JGADMO O=C(C[C@@H](c1ccccc1)N1CCOC1=O)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001304166431 1067212792 /nfs/dbraw/zinc/21/27/92/1067212792.db2.gz XICBCKNRLIZETD-DEOSSOPVSA-N 1 1 451.567 3.321 20 0 JGADMO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577680 1067215601 /nfs/dbraw/zinc/21/56/01/1067215601.db2.gz KEHYFQDWJMOHAW-IFMALSPDSA-N 1 1 489.734 3.282 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H](N4CCOCC4)[C@@H](C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304171561 1067219204 /nfs/dbraw/zinc/21/92/04/1067219204.db2.gz RVYHQCMKNJDJAA-ZCYQVOJMSA-N 1 1 484.689 3.361 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001304174229 1067222326 /nfs/dbraw/zinc/22/23/26/1067222326.db2.gz OEIIKIOHOJVUCP-UHFFFAOYSA-N 1 1 468.646 3.440 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001304174219 1067222385 /nfs/dbraw/zinc/22/23/85/1067222385.db2.gz OASAWAOYVZDLPL-RUZDIDTESA-N 1 1 465.602 3.161 20 0 JGADMO CC(C)c1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302584319 1067222835 /nfs/dbraw/zinc/22/28/35/1067222835.db2.gz CVDYJCLPSRHZNQ-FGZHOGPDSA-N 1 1 459.660 3.185 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001304175584 1067224684 /nfs/dbraw/zinc/22/46/84/1067224684.db2.gz VSNDEGLIGZMYFD-JOCHJYFZSA-N 1 1 466.413 3.440 20 0 JGADMO CC(C)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302588005 1067225337 /nfs/dbraw/zinc/22/53/37/1067225337.db2.gz PFICYGRPMZBOMM-KRWDZBQOSA-N 1 1 458.561 3.341 20 0 JGADMO C[S@](=O)C1(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001304177688 1067226445 /nfs/dbraw/zinc/22/64/45/1067226445.db2.gz YXCGOWUTEGOZAZ-HKBQPEDESA-N 1 1 450.605 3.159 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCSCC(C)C)c1 ZINC001304182775 1067232948 /nfs/dbraw/zinc/23/29/48/1067232948.db2.gz QXRJBUHTNYPLJX-OAQYLSRUSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCSCC(C)C)c1 ZINC001304182775 1067232952 /nfs/dbraw/zinc/23/29/52/1067232952.db2.gz QXRJBUHTNYPLJX-OAQYLSRUSA-N 1 1 459.660 3.384 20 0 JGADMO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001302595657 1067233472 /nfs/dbraw/zinc/23/34/72/1067233472.db2.gz RMQJGLIDKNBEKA-RBBKRZOGSA-N 1 1 484.693 3.303 20 0 JGADMO CC(C)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302606702 1067240921 /nfs/dbraw/zinc/24/09/21/1067240921.db2.gz IVWOXMVYCHPDAP-JOCHJYFZSA-N 1 1 469.630 3.443 20 0 JGADMO Cc1cc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001304191213 1067241259 /nfs/dbraw/zinc/24/12/59/1067241259.db2.gz YEKDQYQAWGBYAH-IBGZPJMESA-N 1 1 463.630 3.494 20 0 JGADMO CC(C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302607015 1067241504 /nfs/dbraw/zinc/24/15/04/1067241504.db2.gz NRXVYSSVPGVNGI-YJBOKZPZSA-N 1 1 453.509 3.347 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCNC(=O)C(C)C)n2CC[N@@H+]2CCOCC2(C)C)c2ccccc2n1 ZINC001304192244 1067243254 /nfs/dbraw/zinc/24/32/54/1067243254.db2.gz NTPSGWFVDBWBKA-UHFFFAOYSA-N 1 1 493.656 3.121 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCNC(=O)C(C)C)n2CC[N@H+]2CCOCC2(C)C)c2ccccc2n1 ZINC001304192244 1067243262 /nfs/dbraw/zinc/24/32/62/1067243262.db2.gz NTPSGWFVDBWBKA-UHFFFAOYSA-N 1 1 493.656 3.121 20 0 JGADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC001302611721 1067245536 /nfs/dbraw/zinc/24/55/36/1067245536.db2.gz ZXOFQBNSHSTYNW-ZCYQVOJMSA-N 1 1 451.611 3.465 20 0 JGADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC001302611721 1067245542 /nfs/dbraw/zinc/24/55/42/1067245542.db2.gz ZXOFQBNSHSTYNW-ZCYQVOJMSA-N 1 1 451.611 3.465 20 0 JGADMO Cc1cc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)no1 ZINC001304198562 1067248167 /nfs/dbraw/zinc/24/81/67/1067248167.db2.gz HKPWHKKTLIOWKY-HKUYNNGSSA-N 1 1 472.565 3.458 20 0 JGADMO Cc1cc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H]2C)no1 ZINC001304198944 1067249039 /nfs/dbraw/zinc/24/90/39/1067249039.db2.gz ZVMPLXNOCBPKIJ-MRXNPFEDSA-N 1 1 471.993 3.279 20 0 JGADMO Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+]2CCOCC2)no1 ZINC001304199040 1067249167 /nfs/dbraw/zinc/24/91/67/1067249167.db2.gz OHTVUNMGFHCSJI-HNNXBMFYSA-N 1 1 475.391 3.361 20 0 JGADMO Cc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)no1 ZINC001304205120 1067251461 /nfs/dbraw/zinc/25/14/61/1067251461.db2.gz LJALFCNXJQYQSE-OALUTQOASA-N 1 1 457.966 3.118 20 0 JGADMO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+]1CC ZINC001304214329 1067257612 /nfs/dbraw/zinc/25/76/12/1067257612.db2.gz QCYIZHCNZDCXLN-BHIFYINESA-N 1 1 473.614 3.298 20 0 JGADMO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)[C@H]1CC[N@H+]1CC ZINC001304214329 1067257616 /nfs/dbraw/zinc/25/76/16/1067257616.db2.gz QCYIZHCNZDCXLN-BHIFYINESA-N 1 1 473.614 3.298 20 0 JGADMO CC(C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302628136 1067258408 /nfs/dbraw/zinc/25/84/08/1067258408.db2.gz OVBMAQKLKLQSRC-FQEVSTJZSA-N 1 1 483.082 3.123 20 0 JGADMO CC(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302629491 1067259476 /nfs/dbraw/zinc/25/94/76/1067259476.db2.gz ZDKRPKFJPOFRAZ-SFHVURJKSA-N 1 1 456.557 3.313 20 0 JGADMO C[C@@]1(NC(=O)CNS(=O)(=O)c2cccs2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218701 1067260257 /nfs/dbraw/zinc/26/02/57/1067260257.db2.gz QZPJPLGQQXFCPW-XUZZJYLKSA-N 1 1 469.632 3.201 20 0 JGADMO Cc1cc(Cn2c(CC(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cs1 ZINC001304221493 1067261848 /nfs/dbraw/zinc/26/18/48/1067261848.db2.gz JNGNOFXQABYGAH-QFIPXVFZSA-N 1 1 460.692 3.126 20 0 JGADMO Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001304221133 1067261880 /nfs/dbraw/zinc/26/18/80/1067261880.db2.gz GDBBIXOOEZMWNQ-CALCHBBNSA-N 1 1 460.529 3.037 20 0 JGADMO Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001304221133 1067261887 /nfs/dbraw/zinc/26/18/87/1067261887.db2.gz GDBBIXOOEZMWNQ-CALCHBBNSA-N 1 1 460.529 3.037 20 0 JGADMO CC(C)c1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302639324 1067268684 /nfs/dbraw/zinc/26/86/84/1067268684.db2.gz ZXHHMYYEKUHPSZ-QPPBQGQZSA-N 1 1 462.038 3.086 20 0 JGADMO CSc1ccc(CCn2c([C@@H]3CCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001302646471 1067275936 /nfs/dbraw/zinc/27/59/36/1067275936.db2.gz VNQBEGQFJBTZBM-SVFBPWRDSA-N 1 1 459.660 3.292 20 0 JGADMO CSc1ccc(CCn2c([C@@H]3CCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001302646471 1067275939 /nfs/dbraw/zinc/27/59/39/1067275939.db2.gz VNQBEGQFJBTZBM-SVFBPWRDSA-N 1 1 459.660 3.292 20 0 JGADMO Cc1cc(F)ccc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304241116 1067278582 /nfs/dbraw/zinc/27/85/82/1067278582.db2.gz MWAJLOIAXIJPHH-UHFFFAOYSA-N 1 1 495.603 3.163 20 0 JGADMO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)nc(C(C)C)n1 ZINC001304245926 1067281714 /nfs/dbraw/zinc/28/17/14/1067281714.db2.gz SZEPVKGPAXIZDA-JOCHJYFZSA-N 1 1 484.693 3.451 20 0 JGADMO CC(C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302661360 1067288396 /nfs/dbraw/zinc/28/83/96/1067288396.db2.gz DDHXYKQEXPFESR-XZOQPEGZSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302661360 1067288404 /nfs/dbraw/zinc/28/84/04/1067288404.db2.gz DDHXYKQEXPFESR-XZOQPEGZSA-N 1 1 489.686 3.096 20 0 JGADMO Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304254449 1067289470 /nfs/dbraw/zinc/28/94/70/1067289470.db2.gz RZXXWCQSGNVFDN-KAOXLYBCSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304254449 1067289474 /nfs/dbraw/zinc/28/94/74/1067289474.db2.gz RZXXWCQSGNVFDN-KAOXLYBCSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1F ZINC001304266742 1067299698 /nfs/dbraw/zinc/29/96/98/1067299698.db2.gz INXJAUKMQSRVCC-UHFFFAOYSA-N 1 1 479.604 3.062 20 0 JGADMO CS[C@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302676195 1067301747 /nfs/dbraw/zinc/30/17/47/1067301747.db2.gz BJNRREBVDUGBMT-JXQFQVJHSA-N 1 1 494.706 3.139 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304270750 1067305511 /nfs/dbraw/zinc/30/55/11/1067305511.db2.gz FCLCJYLZSDFCOX-QHCPKHFHSA-N 1 1 498.672 3.068 20 0 JGADMO Cc1n[nH]c(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001304272894 1067308969 /nfs/dbraw/zinc/30/89/69/1067308969.db2.gz HRVMQUPGIZSSCT-UHFFFAOYSA-N 1 1 466.634 3.489 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304274289 1067310662 /nfs/dbraw/zinc/31/06/62/1067310662.db2.gz OPLSDIFGCQRNNJ-OAQYLSRUSA-N 1 1 498.672 3.067 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304274289 1067310679 /nfs/dbraw/zinc/31/06/79/1067310679.db2.gz OPLSDIFGCQRNNJ-OAQYLSRUSA-N 1 1 498.672 3.067 20 0 JGADMO CSCc1cccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001302686197 1067311772 /nfs/dbraw/zinc/31/17/72/1067311772.db2.gz DZOSWOXKNRPKPD-NRFANRHFSA-N 1 1 456.660 3.056 20 0 JGADMO Cc1cc(CN(C)c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)no1 ZINC001304275024 1067312338 /nfs/dbraw/zinc/31/23/38/1067312338.db2.gz RZTNRWWXEXHBAO-RUZDIDTESA-N 1 1 468.602 3.288 20 0 JGADMO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC001304275962 1067313793 /nfs/dbraw/zinc/31/37/93/1067313793.db2.gz QXJSWXKNEZIHSG-KNKQGSTJSA-N 1 1 470.643 3.209 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N(C)CCCS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC001304278177 1067317742 /nfs/dbraw/zinc/31/77/42/1067317742.db2.gz LMXUMFRYWJEJBT-FCHUYYIVSA-N 1 1 475.659 3.146 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001302692170 1067317687 /nfs/dbraw/zinc/31/76/87/1067317687.db2.gz GXFPKTQSJXFBKT-PMACEKPBSA-N 1 1 454.610 3.068 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)S[C@@H](C)C2)[NH+](C)C)cc1 ZINC001304278506 1067317955 /nfs/dbraw/zinc/31/79/55/1067317955.db2.gz MBYBLIUVAIYKTK-MMKMLUHNSA-N 1 1 477.700 3.122 20 0 JGADMO Cc1ccc([C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccoc2)[NH+](C)C)cc1 ZINC001304279009 1067318983 /nfs/dbraw/zinc/31/89/83/1067318983.db2.gz OZVMNYZGAMFNDN-NHCUHLMSSA-N 1 1 457.600 3.021 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302695162 1067320527 /nfs/dbraw/zinc/32/05/27/1067320527.db2.gz XZDXYVCHIVKMAT-AVRDEDQJSA-N 1 1 486.686 3.447 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304279980 1067320595 /nfs/dbraw/zinc/32/05/95/1067320595.db2.gz MPZWUBWTOLEKFT-QHCPKHFHSA-N 1 1 481.645 3.201 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCC(=O)NC(C)C)c1 ZINC001304283305 1067324613 /nfs/dbraw/zinc/32/46/13/1067324613.db2.gz UGEDMCFRSAYKFQ-SFTDATJTSA-N 1 1 454.619 3.062 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302700153 1067324663 /nfs/dbraw/zinc/32/46/63/1067324663.db2.gz RKIIHNXSDNOPAP-NBGIEHNGSA-N 1 1 451.619 3.408 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304283849 1067324909 /nfs/dbraw/zinc/32/49/09/1067324909.db2.gz MTAFPVAYUKUBQS-ILWGZMRPSA-N 1 1 491.702 3.464 20 0 JGADMO CSC[C@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302702003 1067326166 /nfs/dbraw/zinc/32/61/66/1067326166.db2.gz OOVKTJQTPYWHIX-RTWAWAEBSA-N 1 1 456.660 3.450 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001304288085 1067331291 /nfs/dbraw/zinc/33/12/91/1067331291.db2.gz QLXMUCYGYANQAF-RLWLMLJZSA-N 1 1 471.646 3.324 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCCOC(C)C)c1 ZINC001304287890 1067331385 /nfs/dbraw/zinc/33/13/85/1067331385.db2.gz ALGWSNRRCAYCFN-QHCPKHFHSA-N 1 1 498.672 3.032 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304290202 1067336590 /nfs/dbraw/zinc/33/65/90/1067336590.db2.gz AJOUJXWFHHVYNO-FQEVSTJZSA-N 1 1 497.562 3.352 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304290202 1067336601 /nfs/dbraw/zinc/33/66/01/1067336601.db2.gz AJOUJXWFHHVYNO-FQEVSTJZSA-N 1 1 497.562 3.352 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001304290382 1067337164 /nfs/dbraw/zinc/33/71/64/1067337164.db2.gz FZXJIUBYMSOZCS-RBBKRZOGSA-N 1 1 471.646 3.446 20 0 JGADMO COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1 ZINC001302721617 1067337316 /nfs/dbraw/zinc/33/73/16/1067337316.db2.gz GRHMPEKJAGNZIP-FQEVSTJZSA-N 1 1 451.596 3.332 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304295703 1067345432 /nfs/dbraw/zinc/34/54/32/1067345432.db2.gz JMFHEDIODRBRCD-HXUWFJFHSA-N 1 1 480.613 3.052 20 0 JGADMO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302731288 1067345573 /nfs/dbraw/zinc/34/55/73/1067345573.db2.gz NYDCZBORHRZKIW-YZIHRLCOSA-N 1 1 490.693 3.332 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302731153 1067345590 /nfs/dbraw/zinc/34/55/90/1067345590.db2.gz IYUPZSJWKBBSGY-JTSKRJEESA-N 1 1 496.772 3.420 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302731155 1067345701 /nfs/dbraw/zinc/34/57/01/1067345701.db2.gz IYUPZSJWKBBSGY-VGSWGCGISA-N 1 1 496.772 3.420 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CCc3cnccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304303495 1067351315 /nfs/dbraw/zinc/35/13/15/1067351315.db2.gz PTMOSKNWTFPPSU-KDURUIRLSA-N 1 1 453.591 3.203 20 0 JGADMO CSCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001302745597 1067354532 /nfs/dbraw/zinc/35/45/32/1067354532.db2.gz LLHRDLDIJZUEQY-SVFBPWRDSA-N 1 1 478.707 3.088 20 0 JGADMO Cc1ccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@H](c2cccs2)[NH+](C)C)o1 ZINC001304307132 1067354814 /nfs/dbraw/zinc/35/48/14/1067354814.db2.gz QWGWGZRLOCTWMV-QGZVFWFLSA-N 1 1 463.629 3.224 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)o1 ZINC001304316292 1067363979 /nfs/dbraw/zinc/36/39/79/1067363979.db2.gz KPYQQEAHJIXGRM-WOJBJXKFSA-N 1 1 488.633 3.187 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H]2C)CCO1 ZINC001302769350 1067367985 /nfs/dbraw/zinc/36/79/85/1067367985.db2.gz GWKIMOQFXGLSOK-NQIIRXRSSA-N 1 1 475.037 3.207 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001302772023 1067369660 /nfs/dbraw/zinc/36/96/60/1067369660.db2.gz ILMSYMMKULWPIS-NRFANRHFSA-N 1 1 476.069 3.128 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001302772024 1067369819 /nfs/dbraw/zinc/36/98/19/1067369819.db2.gz ILMSYMMKULWPIS-OAQYLSRUSA-N 1 1 476.069 3.128 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302772121 1067370216 /nfs/dbraw/zinc/37/02/16/1067370216.db2.gz JVWRTJXNDOUAFG-RXVVDRJESA-N 1 1 466.001 3.446 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001304323102 1067371018 /nfs/dbraw/zinc/37/10/18/1067371018.db2.gz GHJLKGSPYDFZMK-WMZOPIPTSA-N 1 1 489.462 3.415 20 0 JGADMO Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1Br ZINC001304327943 1067376518 /nfs/dbraw/zinc/37/65/18/1067376518.db2.gz YDDDIGNPJYMVHW-KRWDZBQOSA-N 1 1 478.435 3.352 20 0 JGADMO CSCCCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302783604 1067376883 /nfs/dbraw/zinc/37/68/83/1067376883.db2.gz MKPCCMJJLQJAMU-UHFFFAOYSA-N 1 1 482.702 3.346 20 0 JGADMO CSCCCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302783604 1067376892 /nfs/dbraw/zinc/37/68/92/1067376892.db2.gz MKPCCMJJLQJAMU-UHFFFAOYSA-N 1 1 482.702 3.346 20 0 JGADMO CSCCCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302783604 1067376899 /nfs/dbraw/zinc/37/68/99/1067376899.db2.gz MKPCCMJJLQJAMU-UHFFFAOYSA-N 1 1 482.702 3.346 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)cc1Br ZINC001304329028 1067377238 /nfs/dbraw/zinc/37/72/38/1067377238.db2.gz ZXYRXGYRWXXNBS-PKOBYXMFSA-N 1 1 478.435 3.088 20 0 JGADMO Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C3CCCC3)CC2)c(C)c1 ZINC001304332745 1067379995 /nfs/dbraw/zinc/37/99/95/1067379995.db2.gz GVRAJPCBTAUCMD-OAQYLSRUSA-N 1 1 488.702 3.203 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001302789043 1067380355 /nfs/dbraw/zinc/38/03/55/1067380355.db2.gz OLKDMUKLMFLKPO-DENIHFKCSA-N 1 1 484.428 3.092 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)s1 ZINC001304337513 1067383268 /nfs/dbraw/zinc/38/32/68/1067383268.db2.gz HNZWWFFUAZMUSE-CYFREDJKSA-N 1 1 477.675 3.293 20 0 JGADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001302798481 1067387439 /nfs/dbraw/zinc/38/74/39/1067387439.db2.gz YDLVFWWNEVAJCB-LSQMVHIFSA-N 1 1 490.737 3.159 20 0 JGADMO Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001304350110 1067391460 /nfs/dbraw/zinc/39/14/60/1067391460.db2.gz QKOKPBLRJHVKQA-HDICACEKSA-N 1 1 455.994 3.291 20 0 JGADMO Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001304350110 1067391470 /nfs/dbraw/zinc/39/14/70/1067391470.db2.gz QKOKPBLRJHVKQA-HDICACEKSA-N 1 1 455.994 3.291 20 0 JGADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807552 1067395013 /nfs/dbraw/zinc/39/50/13/1067395013.db2.gz RIBXRQSODQYCRT-SMIHKQSGSA-N 1 1 490.737 3.258 20 0 JGADMO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cn1 ZINC001304357667 1067396827 /nfs/dbraw/zinc/39/68/27/1067396827.db2.gz COASMMATOYHIQF-QHCPKHFHSA-N 1 1 478.641 3.180 20 0 JGADMO Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC001304359237 1067398015 /nfs/dbraw/zinc/39/80/15/1067398015.db2.gz WDTNCQAMAACMEU-DEOSSOPVSA-N 1 1 454.663 3.065 20 0 JGADMO Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC001304359239 1067398314 /nfs/dbraw/zinc/39/83/14/1067398314.db2.gz WDTNCQAMAACMEU-XMMPIXPASA-N 1 1 454.663 3.065 20 0 JGADMO Cc1ccc(Cn2c(CC(C)C)nnc2N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)n1C ZINC001304359397 1067398488 /nfs/dbraw/zinc/39/84/88/1067398488.db2.gz KMXVNYTYFMKWBO-HSZRJFAPSA-N 1 1 462.642 3.490 20 0 JGADMO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC001302813486 1067400800 /nfs/dbraw/zinc/40/08/00/1067400800.db2.gz YDMRJBDATCBSGH-ZCYQVOJMSA-N 1 1 479.673 3.116 20 0 JGADMO Cc1ccc(Cn2c(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001304363209 1067401529 /nfs/dbraw/zinc/40/15/29/1067401529.db2.gz ZPBKPRCVXHUKPK-TVZXLZGTSA-N 1 1 471.646 3.221 20 0 JGADMO Cc1ccc(Cn2c(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001304363209 1067401532 /nfs/dbraw/zinc/40/15/32/1067401532.db2.gz ZPBKPRCVXHUKPK-TVZXLZGTSA-N 1 1 471.646 3.221 20 0 JGADMO CSCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001302814759 1067401868 /nfs/dbraw/zinc/40/18/68/1067401868.db2.gz VRFPZDINZTXEBH-UHFFFAOYSA-N 1 1 458.680 3.126 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304364948 1067403283 /nfs/dbraw/zinc/40/32/83/1067403283.db2.gz JMWCUQPZHSTXBU-YLJYHZDGSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001304367672 1067407862 /nfs/dbraw/zinc/40/78/62/1067407862.db2.gz OZQKJLAZKIDZLB-SFHVURJKSA-N 1 1 456.610 3.299 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2=O)cc1 ZINC001304373620 1067411598 /nfs/dbraw/zinc/41/15/98/1067411598.db2.gz XTBGVROQMFFOLW-OAQYLSRUSA-N 1 1 468.646 3.238 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001304374886 1067414247 /nfs/dbraw/zinc/41/42/47/1067414247.db2.gz ORVTZDIFRYUCBQ-IBGZPJMESA-N 1 1 450.591 3.001 20 0 JGADMO C[C@@H](C1CCCCC1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302826000 1067416221 /nfs/dbraw/zinc/41/62/21/1067416221.db2.gz CYOSWFMDAPZOMO-AVRWGWEMSA-N 1 1 489.064 3.333 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304375868 1067416247 /nfs/dbraw/zinc/41/62/47/1067416247.db2.gz RADPNPJHDUSSIS-JOCHJYFZSA-N 1 1 497.688 3.476 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302827864 1067418103 /nfs/dbraw/zinc/41/81/03/1067418103.db2.gz DNVYVSLCTYMMAV-ZCNNSNEGSA-N 1 1 461.676 3.181 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302827864 1067418106 /nfs/dbraw/zinc/41/81/06/1067418106.db2.gz DNVYVSLCTYMMAV-ZCNNSNEGSA-N 1 1 461.676 3.181 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302827862 1067418138 /nfs/dbraw/zinc/41/81/38/1067418138.db2.gz DNVYVSLCTYMMAV-VAMGGRTRSA-N 1 1 461.676 3.181 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302827862 1067418139 /nfs/dbraw/zinc/41/81/39/1067418139.db2.gz DNVYVSLCTYMMAV-VAMGGRTRSA-N 1 1 461.676 3.181 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001304378832 1067423354 /nfs/dbraw/zinc/42/33/54/1067423354.db2.gz SXPWZCDXHMKYOX-UEXGIBASSA-N 1 1 495.672 3.215 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001302837835 1067423934 /nfs/dbraw/zinc/42/39/34/1067423934.db2.gz URIFHFMYAKGFTK-JOCHJYFZSA-N 1 1 498.672 3.481 20 0 JGADMO CC(C)Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302839186 1067425865 /nfs/dbraw/zinc/42/58/65/1067425865.db2.gz AZFWDEBHOREQGZ-SZPZYZBQSA-N 1 1 478.726 3.159 20 0 JGADMO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CC=CCC1 ZINC001302839903 1067426428 /nfs/dbraw/zinc/42/64/28/1067426428.db2.gz JUFQBFQZUFEYDC-NRFANRHFSA-N 1 1 458.676 3.310 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(NC(=O)C4CC4)CC3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001304380227 1067426831 /nfs/dbraw/zinc/42/68/31/1067426831.db2.gz OVNKUXCQOINSSP-UHFFFAOYSA-N 1 1 495.672 3.373 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001302840125 1067426935 /nfs/dbraw/zinc/42/69/35/1067426935.db2.gz SQAMRWJFLXUYBO-WAOWUJCRSA-N 1 1 465.689 3.245 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001302840125 1067426942 /nfs/dbraw/zinc/42/69/42/1067426942.db2.gz SQAMRWJFLXUYBO-WAOWUJCRSA-N 1 1 465.689 3.245 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001304382723 1067431430 /nfs/dbraw/zinc/43/14/30/1067431430.db2.gz LQKCTXKLACKTGJ-CTNGQTDRSA-N 1 1 493.612 3.135 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccn(C)n2)cc1C ZINC001304383787 1067433399 /nfs/dbraw/zinc/43/33/99/1067433399.db2.gz MAXVXSYCRBNCBY-UHFFFAOYSA-N 1 1 464.618 3.240 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@H](C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001304383830 1067433429 /nfs/dbraw/zinc/43/34/29/1067433429.db2.gz NCCPQMAFKBXFBT-FGZHOGPDSA-N 1 1 484.645 3.263 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304383831 1067433447 /nfs/dbraw/zinc/43/34/47/1067433447.db2.gz NCCPQMAFKBXFBT-VXKWHMMOSA-N 1 1 484.645 3.263 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2cnn(-c3ccccc3)n2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302849935 1067434482 /nfs/dbraw/zinc/43/44/82/1067434482.db2.gz GEBVVPBDOIDZPX-OYRHEFFESA-N 1 1 466.634 3.193 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCN1C(=O)OC(C)(C)C ZINC001302851654 1067436071 /nfs/dbraw/zinc/43/60/71/1067436071.db2.gz QGMLSJFVXOBXFR-IFMALSPDSA-N 1 1 499.660 3.023 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001304384907 1067436598 /nfs/dbraw/zinc/43/65/98/1067436598.db2.gz WAJCFTZRHOAHDS-HXUWFJFHSA-N 1 1 467.662 3.410 20 0 JGADMO CCOC(=O)CS[C@@H](CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(F)(F)F ZINC001302852785 1067437679 /nfs/dbraw/zinc/43/76/79/1067437679.db2.gz FWONBEHRRILWRG-HNNXBMFYSA-N 1 1 453.552 3.007 20 0 JGADMO CC(C)Cc1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001302857243 1067440087 /nfs/dbraw/zinc/44/00/87/1067440087.db2.gz QYPSOJZWKXYPHM-SZPZYZBQSA-N 1 1 454.663 3.080 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](C)N1CCc2ccccc21 ZINC001302857804 1067440454 /nfs/dbraw/zinc/44/04/54/1067440454.db2.gz ZMOZHYBQYYLOJY-NRFANRHFSA-N 1 1 454.663 3.475 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](C)N1CCc2ccccc21 ZINC001302857804 1067440461 /nfs/dbraw/zinc/44/04/61/1067440461.db2.gz ZMOZHYBQYYLOJY-NRFANRHFSA-N 1 1 454.663 3.475 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001302857542 1067440509 /nfs/dbraw/zinc/44/05/09/1067440509.db2.gz VPMWPDCJMBJAAA-HDICACEKSA-N 1 1 484.567 3.406 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001302857542 1067440512 /nfs/dbraw/zinc/44/05/12/1067440512.db2.gz VPMWPDCJMBJAAA-HDICACEKSA-N 1 1 484.567 3.406 20 0 JGADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CC[NH+]1CCC(C)CC1 ZINC001302858278 1067441022 /nfs/dbraw/zinc/44/10/22/1067441022.db2.gz DTYADGHFXOXJCK-WIOPSUGQSA-N 1 1 470.710 3.461 20 0 JGADMO CC(C)Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302860916 1067443596 /nfs/dbraw/zinc/44/35/96/1067443596.db2.gz IZTOWALEQCELTN-QFIPXVFZSA-N 1 1 458.651 3.281 20 0 JGADMO CC(C)Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302860916 1067443599 /nfs/dbraw/zinc/44/35/99/1067443599.db2.gz IZTOWALEQCELTN-QFIPXVFZSA-N 1 1 458.651 3.281 20 0 JGADMO CC(C)Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302860916 1067443603 /nfs/dbraw/zinc/44/36/03/1067443603.db2.gz IZTOWALEQCELTN-QFIPXVFZSA-N 1 1 458.651 3.281 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1C(F)(F)F ZINC001302861924 1067444694 /nfs/dbraw/zinc/44/46/94/1067444694.db2.gz PKSLSKLDUXQGIG-SJLPKXTDSA-N 1 1 452.525 3.009 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1C(F)(F)F ZINC001302861924 1067444697 /nfs/dbraw/zinc/44/46/97/1067444697.db2.gz PKSLSKLDUXQGIG-SJLPKXTDSA-N 1 1 452.525 3.009 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)o1 ZINC001304388087 1067445030 /nfs/dbraw/zinc/44/50/30/1067445030.db2.gz KYLZKIMCPUYJFJ-UHFFFAOYSA-N 1 1 466.586 3.341 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)o1 ZINC001304388087 1067445035 /nfs/dbraw/zinc/44/50/35/1067445035.db2.gz KYLZKIMCPUYJFJ-UHFFFAOYSA-N 1 1 466.586 3.341 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001304388251 1067445501 /nfs/dbraw/zinc/44/55/01/1067445501.db2.gz ASVATIRDQRORGT-FYYLOGMGSA-N 1 1 484.645 3.404 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001304388608 1067446604 /nfs/dbraw/zinc/44/66/04/1067446604.db2.gz QMCQLBJXEVPQMC-JOCHJYFZSA-N 1 1 481.645 3.267 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCCCCO ZINC001302866038 1067447294 /nfs/dbraw/zinc/44/72/94/1067447294.db2.gz GIFOOPZPKZPLGT-QGZVFWFLSA-N 1 1 495.466 3.278 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)Nc4ccc(C)cn4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304389257 1067448432 /nfs/dbraw/zinc/44/84/32/1067448432.db2.gz JLLSUCYAJZZOOC-UHFFFAOYSA-N 1 1 493.660 3.038 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)F ZINC001302867345 1067448484 /nfs/dbraw/zinc/44/84/84/1067448484.db2.gz SXQNNSQWNHFAIQ-KBAYOESNSA-N 1 1 459.557 3.449 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302869764 1067449814 /nfs/dbraw/zinc/44/98/14/1067449814.db2.gz JCHVLBZIZVCVKI-VQIMIIECSA-N 1 1 477.009 3.033 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302869764 1067449818 /nfs/dbraw/zinc/44/98/18/1067449818.db2.gz JCHVLBZIZVCVKI-VQIMIIECSA-N 1 1 477.009 3.033 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304393159 1067453275 /nfs/dbraw/zinc/45/32/75/1067453275.db2.gz OYAXVDMKJPASSP-QHAWAJNXSA-N 1 1 465.602 3.056 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304393159 1067453279 /nfs/dbraw/zinc/45/32/79/1067453279.db2.gz OYAXVDMKJPASSP-QHAWAJNXSA-N 1 1 465.602 3.056 20 0 JGADMO Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001304394827 1067456046 /nfs/dbraw/zinc/45/60/46/1067456046.db2.gz LYXFCYSHUABMQW-GOSISDBHSA-N 1 1 476.572 3.498 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302872731 1067456091 /nfs/dbraw/zinc/45/60/91/1067456091.db2.gz PVBVKTRZTFNGGY-UPVQGACJSA-N 1 1 482.673 3.323 20 0 JGADMO Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC001304395685 1067457440 /nfs/dbraw/zinc/45/74/40/1067457440.db2.gz BONMGGSMWAUWHN-QFIPXVFZSA-N 1 1 498.672 3.273 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001304399640 1067462790 /nfs/dbraw/zinc/46/27/90/1067462790.db2.gz HICWXNQSERHKQC-GMAHTHKFSA-N 1 1 457.619 3.139 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302881558 1067463057 /nfs/dbraw/zinc/46/30/57/1067463057.db2.gz HJQRQNITQPSWHU-HXUWFJFHSA-N 1 1 472.581 3.496 20 0 JGADMO CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001302887407 1067467801 /nfs/dbraw/zinc/46/78/01/1067467801.db2.gz STCRWVDQGSLZQT-UHFFFAOYSA-N 1 1 482.673 3.052 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001302889916 1067469484 /nfs/dbraw/zinc/46/94/84/1067469484.db2.gz ZRWSZWFTKSDHHJ-ICSRJNTNSA-N 1 1 484.649 3.301 20 0 JGADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001302891219 1067470560 /nfs/dbraw/zinc/47/05/60/1067470560.db2.gz WPZZVGPEPDWGLI-ZJSXRUAMSA-N 1 1 459.512 3.213 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)CCN1S(C)(=O)=O ZINC001302892144 1067472049 /nfs/dbraw/zinc/47/20/49/1067472049.db2.gz FELCZUHFGYFZGQ-RBBKRZOGSA-N 1 1 488.702 3.001 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001304408152 1067472965 /nfs/dbraw/zinc/47/29/65/1067472965.db2.gz FAPGDCCZOWSANN-UHFFFAOYSA-N 1 1 456.635 3.200 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1ncccc1N(C)C ZINC001302892821 1067473508 /nfs/dbraw/zinc/47/35/08/1067473508.db2.gz NVSGEXCQSUFASV-OYRHEFFESA-N 1 1 469.678 3.312 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001304409241 1067474394 /nfs/dbraw/zinc/47/43/94/1067474394.db2.gz ZFAVAJOPUFOKKT-DENIHFKCSA-N 1 1 468.646 3.298 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)C1(F)F ZINC001302894710 1067475461 /nfs/dbraw/zinc/47/54/61/1067475461.db2.gz PQTKWBWTYXUKAY-KDURUIRLSA-N 1 1 461.605 3.017 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)C1(F)F ZINC001302894710 1067475464 /nfs/dbraw/zinc/47/54/64/1067475464.db2.gz PQTKWBWTYXUKAY-KDURUIRLSA-N 1 1 461.605 3.017 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001304409778 1067475702 /nfs/dbraw/zinc/47/57/02/1067475702.db2.gz TWDNKOQVIYFTOO-HXUWFJFHSA-N 1 1 454.619 3.050 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001304409777 1067475731 /nfs/dbraw/zinc/47/57/31/1067475731.db2.gz TWDNKOQVIYFTOO-FQEVSTJZSA-N 1 1 454.619 3.050 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001304409824 1067475763 /nfs/dbraw/zinc/47/57/63/1067475763.db2.gz VJBJHECDQWIZAL-QFIPXVFZSA-N 1 1 467.536 3.401 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304410484 1067477139 /nfs/dbraw/zinc/47/71/39/1067477139.db2.gz GCNQGCLMZWNRIP-FGZHOGPDSA-N 1 1 489.686 3.218 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304410484 1067477143 /nfs/dbraw/zinc/47/71/43/1067477143.db2.gz GCNQGCLMZWNRIP-FGZHOGPDSA-N 1 1 489.686 3.218 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCn2cncn2)cc1 ZINC001304410751 1067477174 /nfs/dbraw/zinc/47/71/74/1067477174.db2.gz VLAPDIUQLNMQCE-UHFFFAOYSA-N 1 1 452.607 3.014 20 0 JGADMO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302896577 1067477838 /nfs/dbraw/zinc/47/78/38/1067477838.db2.gz KOQDVEZEMHSHBC-FQEVSTJZSA-N 1 1 450.031 3.015 20 0 JGADMO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302897343 1067478230 /nfs/dbraw/zinc/47/82/30/1067478230.db2.gz WTOXFUCXGGVICQ-NRFANRHFSA-N 1 1 459.683 3.229 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001304411388 1067479232 /nfs/dbraw/zinc/47/92/32/1067479232.db2.gz SWFMCVCJULDQRS-GMAHTHKFSA-N 1 1 489.686 3.362 20 0 JGADMO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302900696 1067483581 /nfs/dbraw/zinc/48/35/81/1067483581.db2.gz CNLNGHJLJCZKJL-NRFANRHFSA-N 1 1 462.683 3.203 20 0 JGADMO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302900937 1067484036 /nfs/dbraw/zinc/48/40/36/1067484036.db2.gz JHEDKDJEGQLRNZ-XMMPIXPASA-N 1 1 465.708 3.468 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(Br)c3)n2Cc2ccn(C)n2)C[C@H](C)O1 ZINC001302901045 1067484493 /nfs/dbraw/zinc/48/44/93/1067484493.db2.gz DATRLCQDBVNARX-CALCHBBNSA-N 1 1 488.434 3.035 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(Br)c3)n2Cc2ccn(C)n2)C[C@H](C)O1 ZINC001302901045 1067484497 /nfs/dbraw/zinc/48/44/97/1067484497.db2.gz DATRLCQDBVNARX-CALCHBBNSA-N 1 1 488.434 3.035 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(-c4cnccn4)n3CCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC001302901202 1067484974 /nfs/dbraw/zinc/48/49/74/1067484974.db2.gz GEIIJMQEBLATHL-CALCHBBNSA-N 1 1 467.540 3.403 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@H]4CCCO4)n3CCCOCC(F)F)CC2)C[C@H](C)O1 ZINC001302901232 1067484993 /nfs/dbraw/zinc/48/49/93/1067484993.db2.gz HABVZLIOFCKCAG-WSTZPKSXSA-N 1 1 471.593 3.127 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302901391 1067485008 /nfs/dbraw/zinc/48/50/08/1067485008.db2.gz RTPZISVVQSLSDQ-VWLOTQADSA-N 1 1 476.065 3.425 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302901391 1067485009 /nfs/dbraw/zinc/48/50/09/1067485009.db2.gz RTPZISVVQSLSDQ-VWLOTQADSA-N 1 1 476.065 3.425 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)CCCC2)C[C@H](C)O1 ZINC001302901484 1067485011 /nfs/dbraw/zinc/48/50/11/1067485011.db2.gz JOFHLTKGPXJNDY-BGYRXZFFSA-N 1 1 489.686 3.474 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)CCCC2)C[C@H](C)O1 ZINC001302901484 1067485012 /nfs/dbraw/zinc/48/50/12/1067485012.db2.gz JOFHLTKGPXJNDY-BGYRXZFFSA-N 1 1 489.686 3.474 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C[C@H](C)O1 ZINC001302901890 1067485941 /nfs/dbraw/zinc/48/59/41/1067485941.db2.gz TYSAEZJIQJXWFW-CALCHBBNSA-N 1 1 495.466 3.276 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C[C@H](C)O1 ZINC001302901890 1067485944 /nfs/dbraw/zinc/48/59/44/1067485944.db2.gz TYSAEZJIQJXWFW-CALCHBBNSA-N 1 1 495.466 3.276 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@@H]4CCCCO4)n3CCOCC(F)F)CC2)C[C@H](C)O1 ZINC001302902240 1067487100 /nfs/dbraw/zinc/48/71/00/1067487100.db2.gz ZOWWFVXTYPNMHW-NSHGMRRFSA-N 1 1 471.593 3.127 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)O ZINC001302902583 1067487553 /nfs/dbraw/zinc/48/75/53/1067487553.db2.gz LGRROTPWGKEECM-INIZCTEOSA-N 1 1 478.435 3.168 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccn3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302904867 1067489081 /nfs/dbraw/zinc/48/90/81/1067489081.db2.gz BLBWWLQYWHVFNE-CEYNDMKZSA-N 1 1 485.032 3.447 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccn3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302904867 1067489084 /nfs/dbraw/zinc/48/90/84/1067489084.db2.gz BLBWWLQYWHVFNE-CEYNDMKZSA-N 1 1 485.032 3.447 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2Cc2c(F)cccc2OC(F)F)C[C@H](C)O1 ZINC001302904874 1067489130 /nfs/dbraw/zinc/48/91/30/1067489130.db2.gz BRBAGSUVVPJIHJ-IYBDPMFKSA-N 1 1 491.518 3.069 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2Cc2c(F)cccc2OC(F)F)C[C@H](C)O1 ZINC001302904874 1067489134 /nfs/dbraw/zinc/48/91/34/1067489134.db2.gz BRBAGSUVVPJIHJ-IYBDPMFKSA-N 1 1 491.518 3.069 20 0 JGADMO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904915 1067489220 /nfs/dbraw/zinc/48/92/20/1067489220.db2.gz DAUFHZCJSHAQSP-VWPQPMDRSA-N 1 1 455.651 3.006 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001304418151 1067491699 /nfs/dbraw/zinc/49/16/99/1067491699.db2.gz MBVCFMXICGBGKE-UHFFFAOYSA-N 1 1 468.646 3.487 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC=CO2)C[C@H](C)O1 ZINC001302906879 1067491981 /nfs/dbraw/zinc/49/19/81/1067491981.db2.gz ACOQDVJFMJRDHH-XJUOHMSHSA-N 1 1 455.603 3.138 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC=CO2)C[C@H](C)O1 ZINC001302906879 1067491986 /nfs/dbraw/zinc/49/19/86/1067491986.db2.gz ACOQDVJFMJRDHH-XJUOHMSHSA-N 1 1 455.603 3.138 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2ccc3c(c2)OCCO3)C[C@H](C)O1 ZINC001302908431 1067492964 /nfs/dbraw/zinc/49/29/64/1067492964.db2.gz LMXMIMOGYCOYCE-BGYRXZFFSA-N 1 1 471.646 3.426 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2ccc3c(c2)OCCO3)C[C@H](C)O1 ZINC001302908431 1067492966 /nfs/dbraw/zinc/49/29/66/1067492966.db2.gz LMXMIMOGYCOYCE-BGYRXZFFSA-N 1 1 471.646 3.426 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCO3)n2CCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC001302908338 1067493056 /nfs/dbraw/zinc/49/30/56/1067493056.db2.gz JYIGUUPEVWDWND-LVCYWYKZSA-N 1 1 464.010 3.407 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCO3)n2CCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC001302908338 1067493060 /nfs/dbraw/zinc/49/30/60/1067493060.db2.gz JYIGUUPEVWDWND-LVCYWYKZSA-N 1 1 464.010 3.407 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001304418680 1067493227 /nfs/dbraw/zinc/49/32/27/1067493227.db2.gz JRYPDOGBIBZCNX-OAQYLSRUSA-N 1 1 492.615 3.054 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(C[S@](C)=O)cc2)C[C@H](C)O1 ZINC001302909663 1067495080 /nfs/dbraw/zinc/49/50/80/1067495080.db2.gz YAKDVLDQDNHLTC-YSKUEJFTSA-N 1 1 475.703 3.339 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(C[S@](C)=O)cc2)C[C@H](C)O1 ZINC001302909663 1067495082 /nfs/dbraw/zinc/49/50/82/1067495082.db2.gz YAKDVLDQDNHLTC-YSKUEJFTSA-N 1 1 475.703 3.339 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304420682 1067496198 /nfs/dbraw/zinc/49/61/98/1067496198.db2.gz OXLJWKWIZCVYDI-NJYVYQBISA-N 1 1 457.619 3.278 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(C)(C)O)CC1 ZINC001304421432 1067497144 /nfs/dbraw/zinc/49/71/44/1067497144.db2.gz ZXXOEIGJENIVTI-UHFFFAOYSA-N 1 1 495.672 3.307 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001304422954 1067499492 /nfs/dbraw/zinc/49/94/92/1067499492.db2.gz SQZVSWMRPDYAGJ-LEWJYISDSA-N 1 1 459.660 3.344 20 0 JGADMO FC(F)(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001302922144 1067502023 /nfs/dbraw/zinc/50/20/23/1067502023.db2.gz GFCHOXHRKYJLMN-QGZVFWFLSA-N 1 1 470.362 3.482 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001304428184 1067505161 /nfs/dbraw/zinc/50/51/61/1067505161.db2.gz GAQTXGKMVRQRER-UHFFFAOYSA-N 1 1 464.614 3.198 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304428489 1067505875 /nfs/dbraw/zinc/50/58/75/1067505875.db2.gz ISFHKEJPBUIHMT-UPVQGACJSA-N 1 1 471.646 3.353 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304428487 1067505918 /nfs/dbraw/zinc/50/59/18/1067505918.db2.gz ISFHKEJPBUIHMT-ISKFKSNPSA-N 1 1 471.646 3.353 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302928269 1067505922 /nfs/dbraw/zinc/50/59/22/1067505922.db2.gz DNUHEENUUZOXNW-NHCUHLMSSA-N 1 1 462.683 3.203 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302931017 1067506628 /nfs/dbraw/zinc/50/66/28/1067506628.db2.gz VQTGHULRBOTRQS-RDPSFJRHSA-N 1 1 465.708 3.468 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCC2)cc1 ZINC001304433327 1067511778 /nfs/dbraw/zinc/51/17/78/1067511778.db2.gz DBHRBRXGTBGVHV-BGYRXZFFSA-N 1 1 459.660 3.339 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCC2)cc1 ZINC001304433327 1067511788 /nfs/dbraw/zinc/51/17/88/1067511788.db2.gz DBHRBRXGTBGVHV-BGYRXZFFSA-N 1 1 459.660 3.339 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302940247 1067514527 /nfs/dbraw/zinc/51/45/27/1067514527.db2.gz XLBMSFBIQHPFSZ-FQEVSTJZSA-N 1 1 474.675 3.001 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001304436583 1067514992 /nfs/dbraw/zinc/51/49/92/1067514992.db2.gz FPLOECVRFNIIHA-WOJBJXKFSA-N 1 1 456.660 3.278 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302946513 1067519938 /nfs/dbraw/zinc/51/99/38/1067519938.db2.gz OTRZDNJKUMGRSM-RTBURBONSA-N 1 1 457.623 3.381 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304441452 1067522315 /nfs/dbraw/zinc/52/23/15/1067522315.db2.gz VJJQXLNZNMLANZ-IRLDBZIGSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1cccc(C(=O)NCCn2c(CC(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC001304442247 1067523283 /nfs/dbraw/zinc/52/32/83/1067523283.db2.gz JAXFHAVILHVLEN-UHFFFAOYSA-N 1 1 495.716 3.210 20 0 JGADMO FC(F)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302952390 1067524780 /nfs/dbraw/zinc/52/47/80/1067524780.db2.gz CGLBPSNEDRWYTN-MRXNPFEDSA-N 1 1 455.937 3.039 20 0 JGADMO FC(F)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302953417 1067525369 /nfs/dbraw/zinc/52/53/69/1067525369.db2.gz XIVXRGBDBGCALZ-AWEZNQCLSA-N 1 1 462.328 3.054 20 0 JGADMO FC(F)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302953417 1067525372 /nfs/dbraw/zinc/52/53/72/1067525372.db2.gz XIVXRGBDBGCALZ-AWEZNQCLSA-N 1 1 462.328 3.054 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccccn3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302956407 1067528539 /nfs/dbraw/zinc/52/85/39/1067528539.db2.gz SKYSZBMFEODADZ-OYRHEFFESA-N 1 1 455.651 3.086 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302958951 1067530857 /nfs/dbraw/zinc/53/08/57/1067530857.db2.gz LHPRISDOWQHURP-PKTZIBPZSA-N 1 1 487.737 3.168 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302961974 1067533395 /nfs/dbraw/zinc/53/33/95/1067533395.db2.gz RBEPPSLQWQBECA-HSZRJFAPSA-N 1 1 475.081 3.299 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304453480 1067534812 /nfs/dbraw/zinc/53/48/12/1067534812.db2.gz YVAJKXXZFREDRF-UNMCSNQZSA-N 1 1 482.654 3.182 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCc3ccccc3C2)n1 ZINC001304453749 1067535172 /nfs/dbraw/zinc/53/51/72/1067535172.db2.gz WNZHJGJQQRENNY-UHFFFAOYSA-N 1 1 461.614 3.058 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC001304453812 1067535266 /nfs/dbraw/zinc/53/52/66/1067535266.db2.gz YSOPNKKFDHTBIZ-JOCHJYFZSA-N 1 1 461.614 3.274 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302965824 1067536007 /nfs/dbraw/zinc/53/60/07/1067536007.db2.gz WRKXJVYGHUTRKI-INIZCTEOSA-N 1 1 472.581 3.496 20 0 JGADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001302966283 1067536377 /nfs/dbraw/zinc/53/63/77/1067536377.db2.gz PSWNMEGRDORGAN-CNNODRBYSA-N 1 1 494.731 3.091 20 0 JGADMO Fc1ccc(C[N@@H+]2CCCN(c3nnc(Cc4cccnc4)n3CCOCC(F)F)CC2)cc1 ZINC001302967456 1067537196 /nfs/dbraw/zinc/53/71/96/1067537196.db2.gz UKUJPIQFJNFKCX-UHFFFAOYSA-N 1 1 474.531 3.397 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC001304459053 1067538558 /nfs/dbraw/zinc/53/85/58/1067538558.db2.gz CFIGKCCJGDVADZ-NRFANRHFSA-N 1 1 474.675 3.317 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CSCCS2)n1 ZINC001304459620 1067539120 /nfs/dbraw/zinc/53/91/20/1067539120.db2.gz JDWXFFPNWGAYDL-OTWHNJEPSA-N 1 1 462.689 3.043 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CSCCS2)n1 ZINC001304459620 1067539127 /nfs/dbraw/zinc/53/91/27/1067539127.db2.gz JDWXFFPNWGAYDL-OTWHNJEPSA-N 1 1 462.689 3.043 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302975553 1067542081 /nfs/dbraw/zinc/54/20/81/1067542081.db2.gz LMLPSVJIQLHUGG-XMMPIXPASA-N 1 1 472.653 3.467 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302977110 1067543100 /nfs/dbraw/zinc/54/31/00/1067543100.db2.gz RJZRMRRZZBKQBB-LOSJGSFVSA-N 1 1 485.673 3.398 20 0 JGADMO CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302984304 1067547755 /nfs/dbraw/zinc/54/77/55/1067547755.db2.gz CQNCTTSWIUAWTJ-RBBKRZOGSA-N 1 1 459.660 3.012 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302996580 1067556456 /nfs/dbraw/zinc/55/64/56/1067556456.db2.gz YIEMIYGNBRGMQM-RXFWQSSRSA-N 1 1 490.693 3.332 20 0 JGADMO CC(C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001302998802 1067557103 /nfs/dbraw/zinc/55/71/03/1067557103.db2.gz SCDIQUWWPXKZEL-IFMALSPDSA-N 1 1 489.686 3.068 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CC(F)(F)Br)n1 ZINC001304479363 1067558707 /nfs/dbraw/zinc/55/87/07/1067558707.db2.gz SMCSIMAYDVSPAD-UHFFFAOYSA-N 1 1 495.376 3.082 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CCOCCC(C)C)n1 ZINC001304479658 1067559046 /nfs/dbraw/zinc/55/90/46/1067559046.db2.gz ZUZHBSWNAZHFMA-UHFFFAOYSA-N 1 1 466.634 3.157 20 0 JGADMO Cc1cccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001304484212 1067563713 /nfs/dbraw/zinc/56/37/13/1067563713.db2.gz UJVDZLCFZSVWHE-OPYAIIAOSA-N 1 1 460.648 3.021 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303010213 1067564871 /nfs/dbraw/zinc/56/48/71/1067564871.db2.gz UDHIWNVDJFASOX-NBGIEHNGSA-N 1 1 459.610 3.430 20 0 JGADMO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001304491466 1067569487 /nfs/dbraw/zinc/56/94/87/1067569487.db2.gz SHXWQTRMLVTCIW-UHFFFAOYSA-N 1 1 461.614 3.075 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2cccc(C)c2)n1 ZINC001304494203 1067571146 /nfs/dbraw/zinc/57/11/46/1067571146.db2.gz MPDVNUARKUKXAQ-UHFFFAOYSA-N 1 1 465.646 3.238 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2cccc(C)c2)n1 ZINC001304494203 1067571156 /nfs/dbraw/zinc/57/11/56/1067571156.db2.gz MPDVNUARKUKXAQ-UHFFFAOYSA-N 1 1 465.646 3.238 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC001304495462 1067571844 /nfs/dbraw/zinc/57/18/44/1067571844.db2.gz IFSUAGAVEKGCNT-ZEQRLZLVSA-N 1 1 495.716 3.415 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001304496004 1067572185 /nfs/dbraw/zinc/57/21/85/1067572185.db2.gz CBADXKBBEUUBBN-HXUWFJFHSA-N 1 1 481.689 3.475 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303021112 1067572670 /nfs/dbraw/zinc/57/26/70/1067572670.db2.gz HETIRYBXKSULAP-GBXCKJPGSA-N 1 1 478.037 3.219 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303021112 1067572675 /nfs/dbraw/zinc/57/26/75/1067572675.db2.gz HETIRYBXKSULAP-GBXCKJPGSA-N 1 1 478.037 3.219 20 0 JGADMO CC(C)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303021488 1067573165 /nfs/dbraw/zinc/57/31/65/1067573165.db2.gz OLJZGYRFYABOCW-NRFANRHFSA-N 1 1 474.675 3.306 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001304498878 1067574095 /nfs/dbraw/zinc/57/40/95/1067574095.db2.gz ZUMSYIXXEWIXLY-FPOVZHCZSA-N 1 1 467.662 3.084 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001304502150 1067576476 /nfs/dbraw/zinc/57/64/76/1067576476.db2.gz DHOFQJPKJAYMOP-PZJWPPBQSA-N 1 1 475.659 3.052 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001304502150 1067576484 /nfs/dbraw/zinc/57/64/84/1067576484.db2.gz DHOFQJPKJAYMOP-PZJWPPBQSA-N 1 1 475.659 3.052 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001304503178 1067577278 /nfs/dbraw/zinc/57/72/78/1067577278.db2.gz WRLCVHBBIYHIRZ-IBGZPJMESA-N 1 1 457.619 3.484 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2nccs2)c1 ZINC001304503460 1067577512 /nfs/dbraw/zinc/57/75/12/1067577512.db2.gz DZBRMZJSMIFXJZ-KDURUIRLSA-N 1 1 456.616 3.216 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2nccs2)c1 ZINC001304503460 1067577519 /nfs/dbraw/zinc/57/75/19/1067577519.db2.gz DZBRMZJSMIFXJZ-KDURUIRLSA-N 1 1 456.616 3.216 20 0 JGADMO CC(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303040086 1067585245 /nfs/dbraw/zinc/58/52/45/1067585245.db2.gz GCGIZMHNBNOTNQ-QFIPXVFZSA-N 1 1 472.609 3.175 20 0 JGADMO CC(C)CCCn1c(CN2CCCC2=O)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303040519 1067585616 /nfs/dbraw/zinc/58/56/16/1067585616.db2.gz HUNHHRLHBKMAFK-OYRHEFFESA-N 1 1 460.667 3.162 20 0 JGADMO COc1cc(CCC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)cc(OC)c1O ZINC001303042140 1067586488 /nfs/dbraw/zinc/58/64/88/1067586488.db2.gz YQVWXXPJJHKSGI-SIBVEZHUSA-N 1 1 454.567 3.234 20 0 JGADMO COc1cc(CCC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)cc(OC)c1O ZINC001303042140 1067586496 /nfs/dbraw/zinc/58/64/96/1067586496.db2.gz YQVWXXPJJHKSGI-SIBVEZHUSA-N 1 1 454.567 3.234 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(c4nccnc4C)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304511878 1067588276 /nfs/dbraw/zinc/58/82/76/1067588276.db2.gz JDFIPPNSNBXDOL-UHFFFAOYSA-N 1 1 478.645 3.321 20 0 JGADMO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303048583 1067590082 /nfs/dbraw/zinc/59/00/82/1067590082.db2.gz ZMSSGJLGRBYHTN-UHFFFAOYSA-N 1 1 480.661 3.350 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304513095 1067590300 /nfs/dbraw/zinc/59/03/00/1067590300.db2.gz OUKWJRVTBZCOTM-NRFANRHFSA-N 1 1 454.619 3.004 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001304512999 1067590323 /nfs/dbraw/zinc/59/03/23/1067590323.db2.gz OEBNJFCCEMSQDB-JOCHJYFZSA-N 1 1 457.619 3.139 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)NC1CCCCC1 ZINC001304525577 1067598718 /nfs/dbraw/zinc/59/87/18/1067598718.db2.gz JJYCMOOLBCIHLV-OYRHEFFESA-N 1 1 468.646 3.248 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)NC1CCCCC1 ZINC001304525577 1067598722 /nfs/dbraw/zinc/59/87/22/1067598722.db2.gz JJYCMOOLBCIHLV-OYRHEFFESA-N 1 1 468.646 3.248 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304536605 1067607509 /nfs/dbraw/zinc/60/75/09/1067607509.db2.gz CRMVTXAPUVAMIF-PSWAGMNNSA-N 1 1 484.689 3.300 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304536605 1067607511 /nfs/dbraw/zinc/60/75/11/1067607511.db2.gz CRMVTXAPUVAMIF-PSWAGMNNSA-N 1 1 484.689 3.300 20 0 JGADMO CC(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001303075456 1067608646 /nfs/dbraw/zinc/60/86/46/1067608646.db2.gz DAPQZNYVKFMRKY-UHFFFAOYSA-N 1 1 491.706 3.079 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001304538960 1067610382 /nfs/dbraw/zinc/61/03/82/1067610382.db2.gz IZRAVVWDBZDDOU-FQEVSTJZSA-N 1 1 472.634 3.324 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304540174 1067610850 /nfs/dbraw/zinc/61/08/50/1067610850.db2.gz SHDHELCGQZCUPQ-IBGZPJMESA-N 1 1 466.552 3.047 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304540174 1067610853 /nfs/dbraw/zinc/61/08/53/1067610853.db2.gz SHDHELCGQZCUPQ-IBGZPJMESA-N 1 1 466.552 3.047 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304540174 1067610860 /nfs/dbraw/zinc/61/08/60/1067610860.db2.gz SHDHELCGQZCUPQ-IBGZPJMESA-N 1 1 466.552 3.047 20 0 JGADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001304544387 1067614399 /nfs/dbraw/zinc/61/43/99/1067614399.db2.gz VKJGWMQGRMAHIY-QFIPXVFZSA-N 1 1 466.674 3.408 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304546780 1067615913 /nfs/dbraw/zinc/61/59/13/1067615913.db2.gz CSFZLWZMYSAIHB-UHFFFAOYSA-N 1 1 484.689 3.039 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304546780 1067615916 /nfs/dbraw/zinc/61/59/16/1067615916.db2.gz CSFZLWZMYSAIHB-UHFFFAOYSA-N 1 1 484.689 3.039 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304546780 1067615919 /nfs/dbraw/zinc/61/59/19/1067615919.db2.gz CSFZLWZMYSAIHB-UHFFFAOYSA-N 1 1 484.689 3.039 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCc1nccnc1C ZINC001304548844 1067617638 /nfs/dbraw/zinc/61/76/38/1067617638.db2.gz VSTXNQVATPUCNJ-UHFFFAOYSA-N 1 1 463.630 3.065 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCc1nccnc1C ZINC001304548844 1067617640 /nfs/dbraw/zinc/61/76/40/1067617640.db2.gz VSTXNQVATPUCNJ-UHFFFAOYSA-N 1 1 463.630 3.065 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001304549189 1067618171 /nfs/dbraw/zinc/61/81/71/1067618171.db2.gz GQCHYGGOVGUGSQ-YADHBBJMSA-N 1 1 452.647 3.499 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001304551595 1067621140 /nfs/dbraw/zinc/62/11/40/1067621140.db2.gz TYKIYBQJEOUOJH-UHFFFAOYSA-N 1 1 452.647 3.260 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001304556878 1067625668 /nfs/dbraw/zinc/62/56/68/1067625668.db2.gz NNVUKJQPMVMAEU-WPYKKVEZSA-N 1 1 473.687 3.311 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304558200 1067626844 /nfs/dbraw/zinc/62/68/44/1067626844.db2.gz WWWHFSFQKZFRRO-RBBKRZOGSA-N 1 1 452.647 3.390 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CC[N@H+](C)C(C)C ZINC001304558561 1067627212 /nfs/dbraw/zinc/62/72/12/1067627212.db2.gz AYBQSOBWLULATP-UHFFFAOYSA-N 1 1 450.587 3.073 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCC(C)(F)F ZINC001304558741 1067627573 /nfs/dbraw/zinc/62/75/73/1067627573.db2.gz FFYYEGMHTDJEQV-UHFFFAOYSA-N 1 1 474.600 3.357 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCC(C)(F)F ZINC001304558741 1067627577 /nfs/dbraw/zinc/62/75/77/1067627577.db2.gz FFYYEGMHTDJEQV-UHFFFAOYSA-N 1 1 474.600 3.357 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001304559108 1067628355 /nfs/dbraw/zinc/62/83/55/1067628355.db2.gz IDOOIROKXCIMKI-QFIPXVFZSA-N 1 1 473.687 3.455 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCC(=O)N(C)C ZINC001304560552 1067630203 /nfs/dbraw/zinc/63/02/03/1067630203.db2.gz UFUMWEXKIYTJST-HXUWFJFHSA-N 1 1 452.647 3.356 20 0 JGADMO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001304572438 1067641122 /nfs/dbraw/zinc/64/11/22/1067641122.db2.gz GXJYCHKYIOWVGF-VXKWHMMOSA-N 1 1 482.673 3.385 20 0 JGADMO Cc1ccccc1OCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304582160 1067651290 /nfs/dbraw/zinc/65/12/90/1067651290.db2.gz XHFFNGMATCZXPE-QHCPKHFHSA-N 1 1 457.619 3.454 20 0 JGADMO CC1=CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001304585370 1067654175 /nfs/dbraw/zinc/65/41/75/1067654175.db2.gz GMDPEXFHFBVRLQ-FQEVSTJZSA-N 1 1 450.356 3.070 20 0 JGADMO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001304586142 1067655110 /nfs/dbraw/zinc/65/51/10/1067655110.db2.gz RPSYNTFQBQBNHX-SFHVURJKSA-N 1 1 463.424 3.049 20 0 JGADMO CC(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001303117317 1067655106 /nfs/dbraw/zinc/65/51/06/1067655106.db2.gz CEGLPDOBTGMVTB-ICSRJNTNSA-N 1 1 463.026 3.213 20 0 JGADMO CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303118621 1067657225 /nfs/dbraw/zinc/65/72/25/1067657225.db2.gz ZQEDSXZORBTEEA-QFIPXVFZSA-N 1 1 489.064 3.404 20 0 JGADMO CC1=CCCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001304589742 1067657253 /nfs/dbraw/zinc/65/72/53/1067657253.db2.gz HVVOIWULPRVTKL-NRFANRHFSA-N 1 1 470.593 3.095 20 0 JGADMO CC1=CCCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001304589744 1067657287 /nfs/dbraw/zinc/65/72/87/1067657287.db2.gz HVVOIWULPRVTKL-OAQYLSRUSA-N 1 1 470.593 3.095 20 0 JGADMO Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001304601128 1067665450 /nfs/dbraw/zinc/66/54/50/1067665450.db2.gz SVJUGNUHGXKTCK-NRFANRHFSA-N 1 1 470.666 3.102 20 0 JGADMO CC(C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303132809 1067672927 /nfs/dbraw/zinc/67/29/27/1067672927.db2.gz AGBGSCVLYPJVEU-UHFFFAOYSA-N 1 1 469.659 3.462 20 0 JGADMO Cc1cnc([C@@H](C)Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)s1 ZINC001304607835 1067675160 /nfs/dbraw/zinc/67/51/60/1067675160.db2.gz HASCRBSXPHXCDE-SFHVURJKSA-N 1 1 459.664 3.105 20 0 JGADMO Cc1cnc([C@@H](C)Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)s1 ZINC001304607835 1067675164 /nfs/dbraw/zinc/67/51/64/1067675164.db2.gz HASCRBSXPHXCDE-SFHVURJKSA-N 1 1 459.664 3.105 20 0 JGADMO CC(C)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303142866 1067681463 /nfs/dbraw/zinc/68/14/63/1067681463.db2.gz SSYDYEGLUXKONL-AREMUKBSSA-N 1 1 485.746 3.172 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCSCC1 ZINC001303143522 1067682397 /nfs/dbraw/zinc/68/23/97/1067682397.db2.gz GGIKAMGDLACCAU-GOSISDBHSA-N 1 1 467.586 3.337 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001303144192 1067683334 /nfs/dbraw/zinc/68/33/34/1067683334.db2.gz NJIHEYZBRAKRCW-ICSRJNTNSA-N 1 1 466.552 3.280 20 0 JGADMO Cc1csc([C@H]2CN(c3nnc(C(C)C)n3CC3CCN(CC[NH+](C)C)CC3)CCO2)n1 ZINC001304619988 1067688286 /nfs/dbraw/zinc/68/82/86/1067688286.db2.gz BBOFDRDTHKQLAG-HXUWFJFHSA-N 1 1 461.680 3.018 20 0 JGADMO Cc1csc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)Cc3ccccc3)CCO2)n1 ZINC001304620347 1067688816 /nfs/dbraw/zinc/68/88/16/1067688816.db2.gz DRDTWYPNUZXSCU-NRFANRHFSA-N 1 1 497.669 3.281 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001303152820 1067689625 /nfs/dbraw/zinc/68/96/25/1067689625.db2.gz GHRRYAWWYUHUPW-OALUTQOASA-N 1 1 459.557 3.330 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1 ZINC001303153370 1067691117 /nfs/dbraw/zinc/69/11/17/1067691117.db2.gz ZGOFZZJHHVGFJR-KRWDZBQOSA-N 1 1 481.826 3.329 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCOCC1 ZINC001303153219 1067691143 /nfs/dbraw/zinc/69/11/43/1067691143.db2.gz UMUCEOHXSFOIEQ-IBGZPJMESA-N 1 1 466.051 3.297 20 0 JGADMO CC(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303170010 1067703699 /nfs/dbraw/zinc/70/36/99/1067703699.db2.gz PLAJRDPGNSIMAR-KDURUIRLSA-N 1 1 474.675 3.251 20 0 JGADMO CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001303171987 1067704484 /nfs/dbraw/zinc/70/44/84/1067704484.db2.gz VQUXFSVOHDGMCD-BGYRXZFFSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)C1 ZINC001303172227 1067705048 /nfs/dbraw/zinc/70/50/48/1067705048.db2.gz CISSOZBHUFMDIJ-SFHVURJKSA-N 1 1 481.613 3.483 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303172539 1067705994 /nfs/dbraw/zinc/70/59/94/1067705994.db2.gz ISWSIUNDYXDGKD-OALUTQOASA-N 1 1 495.594 3.156 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3)CC2)C1 ZINC001303172603 1067706659 /nfs/dbraw/zinc/70/66/59/1067706659.db2.gz JYVVKSJRTRARGP-QFIPXVFZSA-N 1 1 467.662 3.111 20 0 JGADMO Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)s1 ZINC001304638529 1067707025 /nfs/dbraw/zinc/70/70/25/1067707025.db2.gz GZDHFTQIGSZBIL-OAQYLSRUSA-N 1 1 484.670 3.279 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303173525 1067707631 /nfs/dbraw/zinc/70/76/31/1067707631.db2.gz RPEPRSZEKMICRQ-SFHVURJKSA-N 1 1 489.462 3.354 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303178836 1067712433 /nfs/dbraw/zinc/71/24/33/1067712433.db2.gz OFJAOZGGBCMUQH-FYYLOGMGSA-N 1 1 488.702 3.035 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001303179072 1067712748 /nfs/dbraw/zinc/71/27/48/1067712748.db2.gz PYXMKPLTXRBTSY-CTNGQTDRSA-N 1 1 477.650 3.324 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001303179375 1067713219 /nfs/dbraw/zinc/71/32/19/1067713219.db2.gz UWGMXTJGHBTUEB-NNXSRULWSA-N 1 1 474.694 3.232 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001303179643 1067713625 /nfs/dbraw/zinc/71/36/25/1067713625.db2.gz XOWSFTWYOQBXJN-WOJBJXKFSA-N 1 1 465.646 3.418 20 0 JGADMO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001304650933 1067718567 /nfs/dbraw/zinc/71/85/67/1067718567.db2.gz MHEUQQBXOGPFSS-QGZVFWFLSA-N 1 1 488.731 3.356 20 0 JGADMO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304650933 1067718573 /nfs/dbraw/zinc/71/85/73/1067718573.db2.gz MHEUQQBXOGPFSS-QGZVFWFLSA-N 1 1 488.731 3.356 20 0 JGADMO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304650933 1067718583 /nfs/dbraw/zinc/71/85/83/1067718583.db2.gz MHEUQQBXOGPFSS-QGZVFWFLSA-N 1 1 488.731 3.356 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1=O ZINC001303188349 1067722686 /nfs/dbraw/zinc/72/26/86/1067722686.db2.gz HPANRASBSQKOSR-WOJBJXKFSA-N 1 1 455.651 3.477 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001303189490 1067724111 /nfs/dbraw/zinc/72/41/11/1067724111.db2.gz SPGKPVCLGSREDV-NRFANRHFSA-N 1 1 461.614 3.165 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304656043 1067724365 /nfs/dbraw/zinc/72/43/65/1067724365.db2.gz FLJUNFUDKGETOD-UXHICEINSA-N 1 1 489.734 3.301 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCc3cnccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001304656719 1067725203 /nfs/dbraw/zinc/72/52/03/1067725203.db2.gz ONTXXNHEMRKVCF-FQEVSTJZSA-N 1 1 454.648 3.223 20 0 JGADMO CC(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001303195708 1067728641 /nfs/dbraw/zinc/72/86/41/1067728641.db2.gz KBPPFWXMCGASKY-UHFFFAOYSA-N 1 1 453.679 3.077 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1=O ZINC001303196047 1067729584 /nfs/dbraw/zinc/72/95/84/1067729584.db2.gz OCTRLNFGXGFHNA-VXNXHJTFSA-N 1 1 496.700 3.256 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001303196944 1067731538 /nfs/dbraw/zinc/73/15/38/1067731538.db2.gz QNKWUNVESYCPIZ-JOCHJYFZSA-N 1 1 453.660 3.406 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303198561 1067733747 /nfs/dbraw/zinc/73/37/47/1067733747.db2.gz FFCLJFUSCIANNK-SZPZYZBQSA-N 1 1 488.652 3.274 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001303200592 1067736680 /nfs/dbraw/zinc/73/66/80/1067736680.db2.gz CPGAQNVXBMTICG-QZTJIDSGSA-N 1 1 481.439 3.008 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cs1 ZINC001304668586 1067736792 /nfs/dbraw/zinc/73/67/92/1067736792.db2.gz DZRWIXLTRMEVKH-HKUYNNGSSA-N 1 1 473.691 3.105 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCOC[C@@H]2C)C1 ZINC001303201583 1067737255 /nfs/dbraw/zinc/73/72/55/1067737255.db2.gz MFBQEROVPHASEZ-JKSUJKDBSA-N 1 1 484.464 3.351 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1=O ZINC001303202373 1067738406 /nfs/dbraw/zinc/73/84/06/1067738406.db2.gz XWLJEHDTUKNHIS-NHCUHLMSSA-N 1 1 475.037 3.391 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001303202322 1067738495 /nfs/dbraw/zinc/73/84/95/1067738495.db2.gz XBPGRUMYLBTSJK-XXBNENTESA-N 1 1 475.609 3.123 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCCn2cc[nH+]c2C)cs1 ZINC001304673176 1067742798 /nfs/dbraw/zinc/74/27/98/1067742798.db2.gz LWHGXNIRNDHAIG-OAHLLOKOSA-N 1 1 482.580 3.302 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304673294 1067742912 /nfs/dbraw/zinc/74/29/12/1067742912.db2.gz PPXJKJMCTVHOOJ-QGZVFWFLSA-N 1 1 477.679 3.420 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001303205401 1067742944 /nfs/dbraw/zinc/74/29/44/1067742944.db2.gz QVVKWLCUNODRAF-FPOVZHCZSA-N 1 1 476.666 3.348 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCC([C@@](C)(O)C(F)(F)F)CC3)nnc2C(C)(C)C)C1 ZINC001303207333 1067744083 /nfs/dbraw/zinc/74/40/83/1067744083.db2.gz UKAVMIRSQAYYPN-PGRDOPGGSA-N 1 1 475.600 3.462 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CCCSC2)cs1 ZINC001304674549 1067745047 /nfs/dbraw/zinc/74/50/47/1067745047.db2.gz RDBIXBQKCDWJAU-LJQANCHMSA-N 1 1 464.705 3.324 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001303207064 1067745048 /nfs/dbraw/zinc/74/50/48/1067745048.db2.gz YKXMWOPZMGWICW-HKUYNNGSSA-N 1 1 463.026 3.354 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001303206998 1067745186 /nfs/dbraw/zinc/74/51/86/1067745186.db2.gz XTMLAOFMNJCILY-OAQYLSRUSA-N 1 1 455.651 3.008 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001303206998 1067745192 /nfs/dbraw/zinc/74/51/92/1067745192.db2.gz XTMLAOFMNJCILY-OAQYLSRUSA-N 1 1 455.651 3.008 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCN(CCOc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303208731 1067746997 /nfs/dbraw/zinc/74/69/97/1067746997.db2.gz YDHIRANHAHEFLI-DEOSSOPVSA-N 1 1 484.689 3.133 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304676506 1067748336 /nfs/dbraw/zinc/74/83/36/1067748336.db2.gz XOWOJJAZJZLGAF-KNKQGSTJSA-N 1 1 476.691 3.384 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001304677015 1067748932 /nfs/dbraw/zinc/74/89/32/1067748932.db2.gz NQKASPFTTIFLRT-IERDGZPVSA-N 1 1 458.607 3.112 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001303214580 1067752066 /nfs/dbraw/zinc/75/20/66/1067752066.db2.gz AMVGEBUCEKMLPN-QHCPKHFHSA-N 1 1 483.661 3.299 20 0 JGADMO Cc1n[nH]c(CCn2c(Cc3ccccc3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001304684761 1067757056 /nfs/dbraw/zinc/75/70/56/1067757056.db2.gz QBCRPULTWHWHQD-UHFFFAOYSA-N 1 1 450.635 3.405 20 0 JGADMO Cc1nc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)n[nH]1 ZINC001304686876 1067759307 /nfs/dbraw/zinc/75/93/07/1067759307.db2.gz YFCRZBXFYVYVER-UHFFFAOYSA-N 1 1 458.998 3.100 20 0 JGADMO Cc1n[nH]c(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001304686876 1067759314 /nfs/dbraw/zinc/75/93/14/1067759314.db2.gz YFCRZBXFYVYVER-UHFFFAOYSA-N 1 1 458.998 3.100 20 0 JGADMO Cc1n[nH]c(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001304686876 1067759322 /nfs/dbraw/zinc/75/93/22/1067759322.db2.gz YFCRZBXFYVYVER-UHFFFAOYSA-N 1 1 458.998 3.100 20 0 JGADMO Cc1nnc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)[nH]1 ZINC001304686876 1067759329 /nfs/dbraw/zinc/75/93/29/1067759329.db2.gz YFCRZBXFYVYVER-UHFFFAOYSA-N 1 1 458.998 3.100 20 0 JGADMO Cc1nnc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)[nH]1 ZINC001304686876 1067759336 /nfs/dbraw/zinc/75/93/36/1067759336.db2.gz YFCRZBXFYVYVER-UHFFFAOYSA-N 1 1 458.998 3.100 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001303224518 1067761210 /nfs/dbraw/zinc/76/12/10/1067761210.db2.gz PVHJLDQEAHERBJ-AUSIDOKSSA-N 1 1 451.681 3.035 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001303226625 1067762545 /nfs/dbraw/zinc/76/25/45/1067762545.db2.gz NRJGPLVUSLJTNG-HXUWFJFHSA-N 1 1 476.069 3.271 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001303226625 1067762553 /nfs/dbraw/zinc/76/25/53/1067762553.db2.gz NRJGPLVUSLJTNG-HXUWFJFHSA-N 1 1 476.069 3.271 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001303226625 1067762560 /nfs/dbraw/zinc/76/25/60/1067762560.db2.gz NRJGPLVUSLJTNG-HXUWFJFHSA-N 1 1 476.069 3.271 20 0 JGADMO Cc1ncc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC001304689784 1067762889 /nfs/dbraw/zinc/76/28/89/1067762889.db2.gz KWYHJRMCKYWMBR-NRFANRHFSA-N 1 1 481.670 3.382 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC001304692840 1067765931 /nfs/dbraw/zinc/76/59/31/1067765931.db2.gz HKMLDHDPRIAVFL-PXNSSMCTSA-N 1 1 488.683 3.102 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC001304692840 1067765938 /nfs/dbraw/zinc/76/59/38/1067765938.db2.gz HKMLDHDPRIAVFL-PXNSSMCTSA-N 1 1 488.683 3.102 20 0 JGADMO CC(C)COCCCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001303233808 1067766613 /nfs/dbraw/zinc/76/66/13/1067766613.db2.gz CEUDJFVCJWYDTF-UHFFFAOYSA-N 1 1 451.619 3.454 20 0 JGADMO CC(C)CSCCCn1c(C2CCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001303242063 1067770868 /nfs/dbraw/zinc/77/08/68/1067770868.db2.gz UNDCVNSDGICHEH-UHFFFAOYSA-N 1 1 462.708 3.459 20 0 JGADMO CC(C)CSCCCn1c(C2CCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001303242063 1067770873 /nfs/dbraw/zinc/77/08/73/1067770873.db2.gz UNDCVNSDGICHEH-UHFFFAOYSA-N 1 1 462.708 3.459 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)cn1 ZINC001304701366 1067772363 /nfs/dbraw/zinc/77/23/63/1067772363.db2.gz HVFSJKGOXFYKQN-UHFFFAOYSA-N 1 1 476.560 3.373 20 0 JGADMO Cc1nccc(N2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC001304701732 1067772618 /nfs/dbraw/zinc/77/26/18/1067772618.db2.gz JUGMDMOMSUYNFW-NRFANRHFSA-N 1 1 462.646 3.422 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](CC(C)C)C2)cn1 ZINC001304701646 1067772822 /nfs/dbraw/zinc/77/28/22/1067772822.db2.gz HZFNGLSYOXGLOV-IBGZPJMESA-N 1 1 450.591 3.226 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1F ZINC001304701850 1067773158 /nfs/dbraw/zinc/77/31/58/1067773158.db2.gz PXMIEWSDOBHKOI-CKJXQJPGSA-N 1 1 490.605 3.069 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(C)C)C2)cn1 ZINC001304701921 1067773475 /nfs/dbraw/zinc/77/34/75/1067773475.db2.gz NGRRTSKGGXAWNA-FQEVSTJZSA-N 1 1 450.591 3.226 20 0 JGADMO Cc1nccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1F ZINC001304702275 1067773725 /nfs/dbraw/zinc/77/37/25/1067773725.db2.gz SXTRKQJYWCAWBQ-UHFFFAOYSA-N 1 1 496.635 3.408 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001304702499 1067774048 /nfs/dbraw/zinc/77/40/48/1067774048.db2.gz YLSZDDSBGRGWSI-QGZVFWFLSA-N 1 1 453.513 3.278 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)cc1F ZINC001304702541 1067774279 /nfs/dbraw/zinc/77/42/79/1067774279.db2.gz ZOPIVZCNVUXDMT-INIZCTEOSA-N 1 1 453.566 3.392 20 0 JGADMO Cc1nccc(N2CCN(c3nnc(COc4ccc(Cl)cc4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001304702586 1067774520 /nfs/dbraw/zinc/77/45/20/1067774520.db2.gz VDKXXBUMDQJFIH-UHFFFAOYSA-N 1 1 485.036 3.276 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001304702917 1067774998 /nfs/dbraw/zinc/77/49/98/1067774998.db2.gz LSGVGWFRHXXLLG-FGZHOGPDSA-N 1 1 471.650 3.146 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1C(C)(C)C ZINC001304703228 1067775456 /nfs/dbraw/zinc/77/54/56/1067775456.db2.gz CXYACWLPNQDRKB-UHFFFAOYSA-N 1 1 456.639 3.289 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001304703319 1067775546 /nfs/dbraw/zinc/77/55/46/1067775546.db2.gz GDAUSLFEXYNJKK-UHFFFAOYSA-N 1 1 453.566 3.488 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCOC1 ZINC001304703559 1067775926 /nfs/dbraw/zinc/77/59/26/1067775926.db2.gz HDFVNTIGHRKGIO-HXUWFJFHSA-N 1 1 486.020 3.320 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001304703809 1067776495 /nfs/dbraw/zinc/77/64/95/1067776495.db2.gz JWFAVANMGPIORT-SFHVURJKSA-N 1 1 483.642 3.291 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2F)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001304704612 1067776809 /nfs/dbraw/zinc/77/68/09/1067776809.db2.gz NQHYVKONVUXSET-SJORKVTESA-N 1 1 462.595 3.327 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001304704190 1067776941 /nfs/dbraw/zinc/77/69/41/1067776941.db2.gz NWNKZBLYLYORMX-RTBURBONSA-N 1 1 459.595 3.218 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001304704379 1067777263 /nfs/dbraw/zinc/77/72/63/1067777263.db2.gz YPUBEOHSDHYOGE-SFHVURJKSA-N 1 1 478.569 3.080 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001304705434 1067778213 /nfs/dbraw/zinc/77/82/13/1067778213.db2.gz QCELCUXFRVMQAW-OAQYLSRUSA-N 1 1 490.381 3.144 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccn2C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001304705797 1067778596 /nfs/dbraw/zinc/77/85/96/1067778596.db2.gz VEYSYFBOLMAKLK-HKUYNNGSSA-N 1 1 468.606 3.228 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001304709133 1067780311 /nfs/dbraw/zinc/78/03/11/1067780311.db2.gz KMZCLUNABCJIIR-NRFANRHFSA-N 1 1 472.615 3.155 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cscn1 ZINC001303255069 1067780870 /nfs/dbraw/zinc/78/08/70/1067780870.db2.gz URNFLXRWAMMEBG-FQEVSTJZSA-N 1 1 453.616 3.211 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cscn1 ZINC001303255070 1067780879 /nfs/dbraw/zinc/78/08/79/1067780879.db2.gz URNFLXRWAMMEBG-HXUWFJFHSA-N 1 1 453.616 3.211 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001304709937 1067781022 /nfs/dbraw/zinc/78/10/22/1067781022.db2.gz BAQDDMJKJZMNFG-CQSZACIVSA-N 1 1 462.396 3.255 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001304710447 1067781405 /nfs/dbraw/zinc/78/14/05/1067781405.db2.gz KJAQHVVZCHWHPP-UHFFFAOYSA-N 1 1 459.957 3.362 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001304710690 1067781455 /nfs/dbraw/zinc/78/14/55/1067781455.db2.gz AKANUYAFXQPYOP-QFIPXVFZSA-N 1 1 465.646 3.177 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001304710466 1067781505 /nfs/dbraw/zinc/78/15/05/1067781505.db2.gz IYKLTOFSCISPAV-ZIFCJYIRSA-N 1 1 491.662 3.122 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CC(F)(F)F)CC1 ZINC001303255937 1067782577 /nfs/dbraw/zinc/78/25/77/1067782577.db2.gz FAQZUKVETLZVLM-UHFFFAOYSA-N 1 1 499.582 3.057 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001303255805 1067782610 /nfs/dbraw/zinc/78/26/10/1067782610.db2.gz CONLSWNBOGEBEZ-QFIPXVFZSA-N 1 1 493.631 3.380 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001304711828 1067782957 /nfs/dbraw/zinc/78/29/57/1067782957.db2.gz QCUUVBDIRFDUBM-WSTZPKSXSA-N 1 1 473.622 3.211 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCSC2)CC1 ZINC001303256283 1067783183 /nfs/dbraw/zinc/78/31/83/1067783183.db2.gz IYXSFJNBRYRJIR-NRFANRHFSA-N 1 1 497.507 3.460 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001304712511 1067783655 /nfs/dbraw/zinc/78/36/55/1067783655.db2.gz SHYIVYKXEVEQCP-UHFFFAOYSA-N 1 1 457.604 3.193 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001303256807 1067783748 /nfs/dbraw/zinc/78/37/48/1067783748.db2.gz DLUNXAUIUUJHGA-VWLOTQADSA-N 1 1 452.603 3.321 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCC(=O)N(C)C)CC1 ZINC001303257714 1067784589 /nfs/dbraw/zinc/78/45/89/1067784589.db2.gz YJTJQYWAUWMNNZ-UHFFFAOYSA-N 1 1 484.645 3.141 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001303257916 1067784603 /nfs/dbraw/zinc/78/46/03/1067784603.db2.gz JLDNNTKEBXADJL-RBUKOAKNSA-N 1 1 473.634 3.172 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001303258333 1067785025 /nfs/dbraw/zinc/78/50/25/1067785025.db2.gz MMIQCVKWVYLOFD-SFHVURJKSA-N 1 1 479.551 3.248 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001303259437 1067785839 /nfs/dbraw/zinc/78/58/39/1067785839.db2.gz VUJGINOQVYGYNL-PLTNMMHCSA-N 1 1 451.681 3.378 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001303259339 1067785854 /nfs/dbraw/zinc/78/58/54/1067785854.db2.gz UUGJHJHVKRNXHO-YTTGMZPUSA-N 1 1 458.676 3.122 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001303259338 1067786007 /nfs/dbraw/zinc/78/60/07/1067786007.db2.gz UUGJHJHVKRNXHO-JGCGQSQUSA-N 1 1 458.676 3.122 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303259427 1067786067 /nfs/dbraw/zinc/78/60/67/1067786067.db2.gz VSQCSNHKMLIPFT-OAQYLSRUSA-N 1 1 486.627 3.440 20 0 JGADMO Cc1nccnc1N1CCN(c2nnc(-c3ccccc3F)n2CCC[N@H+](C)C(C)C)CC1 ZINC001304715095 1067786585 /nfs/dbraw/zinc/78/65/85/1067786585.db2.gz VZPIWYFLVSIKDU-UHFFFAOYSA-N 1 1 452.582 3.240 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001304716161 1067787652 /nfs/dbraw/zinc/78/76/52/1067787652.db2.gz PBQOJJSJCRKHPJ-INIZCTEOSA-N 1 1 481.498 3.274 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001304716124 1067787673 /nfs/dbraw/zinc/78/76/73/1067787673.db2.gz OCAPGMLCZDYHQD-HNNXBMFYSA-N 1 1 467.521 3.253 20 0 JGADMO Cc1nccnc1CCn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304716338 1067787965 /nfs/dbraw/zinc/78/79/65/1067787965.db2.gz VAXYIAMHFNLSOU-AREMUKBSSA-N 1 1 485.677 3.216 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001303261748 1067788493 /nfs/dbraw/zinc/78/84/93/1067788493.db2.gz VGHFOBMNZPCUJR-SFHVURJKSA-N 1 1 484.464 3.061 20 0 JGADMO Cc1[nH+]ccn1CCn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 ZINC001304716702 1067788611 /nfs/dbraw/zinc/78/86/11/1067788611.db2.gz YDSPSXWGFQZNRH-RTBURBONSA-N 1 1 470.643 3.211 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001304716694 1067788663 /nfs/dbraw/zinc/78/86/63/1067788663.db2.gz YCXWCOFKMSGDDL-UHFFFAOYSA-N 1 1 467.521 3.253 20 0 JGADMO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001303262561 1067789767 /nfs/dbraw/zinc/78/97/67/1067789767.db2.gz GVYDPGFYGHKIQR-HXUWFJFHSA-N 1 1 462.042 3.025 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001303262561 1067789774 /nfs/dbraw/zinc/78/97/74/1067789774.db2.gz GVYDPGFYGHKIQR-HXUWFJFHSA-N 1 1 462.042 3.025 20 0 JGADMO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001303262560 1067789826 /nfs/dbraw/zinc/78/98/26/1067789826.db2.gz GVYDPGFYGHKIQR-FQEVSTJZSA-N 1 1 462.042 3.025 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001303262560 1067789830 /nfs/dbraw/zinc/78/98/30/1067789830.db2.gz GVYDPGFYGHKIQR-FQEVSTJZSA-N 1 1 462.042 3.025 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001303262910 1067790211 /nfs/dbraw/zinc/79/02/11/1067790211.db2.gz IMLWWYQSANJIQO-INIZCTEOSA-N 1 1 466.417 3.196 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001303263671 1067790619 /nfs/dbraw/zinc/79/06/19/1067790619.db2.gz QWISSNXEIDKPLO-OAHLLOKOSA-N 1 1 460.019 3.337 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001303263612 1067790764 /nfs/dbraw/zinc/79/07/64/1067790764.db2.gz QBHUHGIETHAJHY-HSZRJFAPSA-N 1 1 463.026 3.498 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001303264144 1067791454 /nfs/dbraw/zinc/79/14/54/1067791454.db2.gz BAQCRKOQKAZYHQ-QUCCMNQESA-N 1 1 461.010 3.187 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303264286 1067791491 /nfs/dbraw/zinc/79/14/91/1067791491.db2.gz JGRPVIVMFUCREQ-LJQANCHMSA-N 1 1 472.638 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303264285 1067791549 /nfs/dbraw/zinc/79/15/49/1067791549.db2.gz JGRPVIVMFUCREQ-IBGZPJMESA-N 1 1 472.638 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccc2F)nnc1N1CCC(Cn2cncn2)CC1 ZINC001303264086 1067791564 /nfs/dbraw/zinc/79/15/64/1067791564.db2.gz AMFBMTSJPSYKSO-UHFFFAOYSA-N 1 1 454.598 3.246 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001303264703 1067791995 /nfs/dbraw/zinc/79/19/95/1067791995.db2.gz WWODPTBXFIKIBA-UHFFFAOYSA-N 1 1 467.593 3.115 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001303264576 1067792123 /nfs/dbraw/zinc/79/21/23/1067792123.db2.gz LLZITHROWGCDMG-UHFFFAOYSA-N 1 1 474.654 3.293 20 0 JGADMO CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001303265463 1067792781 /nfs/dbraw/zinc/79/27/81/1067792781.db2.gz JZHVMNWYGKQZNN-UHFFFAOYSA-N 1 1 482.652 3.184 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001303265463 1067792787 /nfs/dbraw/zinc/79/27/87/1067792787.db2.gz JZHVMNWYGKQZNN-UHFFFAOYSA-N 1 1 482.652 3.184 20 0 JGADMO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001303266213 1067793271 /nfs/dbraw/zinc/79/32/71/1067793271.db2.gz NXEJSPCKAOXHBT-XMMPIXPASA-N 1 1 454.663 3.267 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001303266213 1067793276 /nfs/dbraw/zinc/79/32/76/1067793276.db2.gz NXEJSPCKAOXHBT-XMMPIXPASA-N 1 1 454.663 3.267 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001303267003 1067794266 /nfs/dbraw/zinc/79/42/66/1067794266.db2.gz XJMBVLBJEMMUHI-WIYYLYMNSA-N 1 1 478.663 3.095 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001303267699 1067794600 /nfs/dbraw/zinc/79/46/00/1067794600.db2.gz FYVSAKCGNPAJCL-NRFANRHFSA-N 1 1 456.610 3.330 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001303267559 1067794741 /nfs/dbraw/zinc/79/47/41/1067794741.db2.gz DJTZEMWEKSCTFA-UHFFFAOYSA-N 1 1 452.525 3.342 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001303268577 1067796201 /nfs/dbraw/zinc/79/62/01/1067796201.db2.gz QOZHBXFDKBGVBY-FQEVSTJZSA-N 1 1 468.675 3.334 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001303268950 1067797512 /nfs/dbraw/zinc/79/75/12/1067797512.db2.gz VPCBYRMZNSGZGZ-UHFFFAOYSA-N 1 1 497.594 3.235 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001303269226 1067797843 /nfs/dbraw/zinc/79/78/43/1067797843.db2.gz UUZJYWGFVAYDOI-FQEVSTJZSA-N 1 1 461.010 3.086 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001304725845 1067798020 /nfs/dbraw/zinc/79/80/20/1067798020.db2.gz QOMJVMDTFYIBTJ-XMMPIXPASA-N 1 1 471.675 3.217 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C ZINC001303269476 1067798255 /nfs/dbraw/zinc/79/82/55/1067798255.db2.gz ZMPXELRFMLICTQ-HSALFYBXSA-N 1 1 458.655 3.397 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001303269353 1067798465 /nfs/dbraw/zinc/79/84/65/1067798465.db2.gz YPVOPFHRAZJIFJ-UHFFFAOYSA-N 1 1 481.670 3.086 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001303270099 1067798651 /nfs/dbraw/zinc/79/86/51/1067798651.db2.gz GKNYNEQAHWNFEM-CABCVRRESA-N 1 1 481.464 3.072 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001303270067 1067798778 /nfs/dbraw/zinc/79/87/78/1067798778.db2.gz FZTKZHAVBKZOBY-OAQYLSRUSA-N 1 1 482.398 3.183 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCC2)C1 ZINC001303269496 1067798895 /nfs/dbraw/zinc/79/88/95/1067798895.db2.gz ZZCZDEIFSYDNJP-UHFFFAOYSA-N 1 1 451.413 3.146 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001303270031 1067798907 /nfs/dbraw/zinc/79/89/07/1067798907.db2.gz FMEGBULHUPRWDW-UHFFFAOYSA-N 1 1 462.042 3.417 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001303270363 1067799288 /nfs/dbraw/zinc/79/92/88/1067799288.db2.gz IXUXTLQZRAXOPR-UHFFFAOYSA-N 1 1 455.998 3.205 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001303271712 1067800447 /nfs/dbraw/zinc/80/04/47/1067800447.db2.gz TUXWIHFQUYOREV-UHFFFAOYSA-N 1 1 465.577 3.172 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001303274661 1067802268 /nfs/dbraw/zinc/80/22/68/1067802268.db2.gz KDMTZJMKHAPZLS-CRAIPNDOSA-N 1 1 477.535 3.167 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001303275084 1067802521 /nfs/dbraw/zinc/80/25/21/1067802521.db2.gz RUMZOEGZDHDZGO-UHFFFAOYSA-N 1 1 485.536 3.458 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303276067 1067803617 /nfs/dbraw/zinc/80/36/17/1067803617.db2.gz ITWYHTSZFXMVMG-NRFANRHFSA-N 1 1 486.617 3.188 20 0 JGADMO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C(C)C ZINC001303276388 1067803813 /nfs/dbraw/zinc/80/38/13/1067803813.db2.gz LYVIUCZBJJGYFU-LJQANCHMSA-N 1 1 451.612 3.075 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001303277393 1067805177 /nfs/dbraw/zinc/80/51/77/1067805177.db2.gz QVVGYOQYBAMBKE-UHFFFAOYSA-N 1 1 455.557 3.209 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303277800 1067805379 /nfs/dbraw/zinc/80/53/79/1067805379.db2.gz VEYHDZCYMQBODN-UHFFFAOYSA-N 1 1 451.619 3.172 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001303278383 1067806518 /nfs/dbraw/zinc/80/65/18/1067806518.db2.gz BQUFUDVKTYQDLP-OAHLLOKOSA-N 1 1 469.417 3.206 20 0 JGADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001304735150 1067809093 /nfs/dbraw/zinc/80/90/93/1067809093.db2.gz RFKRPIBDOJTKSJ-NRFANRHFSA-N 1 1 454.598 3.398 20 0 JGADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303282040 1067809698 /nfs/dbraw/zinc/80/96/98/1067809698.db2.gz PGKMXCXUNPXLSJ-HKUYNNGSSA-N 1 1 463.623 3.217 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001304737917 1067812326 /nfs/dbraw/zinc/81/23/26/1067812326.db2.gz TUDCEPUSHGAOAR-WIYYLYMNSA-N 1 1 469.609 3.445 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001304739438 1067813052 /nfs/dbraw/zinc/81/30/52/1067813052.db2.gz DWHYUDQVLVKBEA-WWPVKYPJSA-N 1 1 457.667 3.392 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001304739436 1067813340 /nfs/dbraw/zinc/81/33/40/1067813340.db2.gz DWHYUDQVLVKBEA-PTUXOGIPSA-N 1 1 457.667 3.392 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001304741076 1067816724 /nfs/dbraw/zinc/81/67/24/1067816724.db2.gz XUERTWZMLYLDOG-JOCHJYFZSA-N 1 1 487.052 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCCCS2)n1 ZINC001304740993 1067816805 /nfs/dbraw/zinc/81/68/05/1067816805.db2.gz NECKATNJOJOUFK-OAQYLSRUSA-N 1 1 475.707 3.220 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001304741430 1067817193 /nfs/dbraw/zinc/81/71/93/1067817193.db2.gz VXEVESKKAHANAP-KNQAVFIVSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304741430 1067817208 /nfs/dbraw/zinc/81/72/08/1067817208.db2.gz VXEVESKKAHANAP-KNQAVFIVSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304741430 1067817222 /nfs/dbraw/zinc/81/72/22/1067817222.db2.gz VXEVESKKAHANAP-KNQAVFIVSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3nc4ccccc4c(=O)[nH]3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304742156 1067819277 /nfs/dbraw/zinc/81/92/77/1067819277.db2.gz FNWLFIUHYCFGLO-UHFFFAOYSA-N 1 1 477.617 3.155 20 0 JGADMO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1)C(C)C ZINC001303295917 1067819787 /nfs/dbraw/zinc/81/97/87/1067819787.db2.gz MBUGAJMQPPKDPJ-RUZDIDTESA-N 1 1 479.673 3.258 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304743105 1067820529 /nfs/dbraw/zinc/82/05/29/1067820529.db2.gz HITHVVZYMPODJZ-GGAORHGYSA-N 1 1 451.619 3.133 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC[C@@H]2CCCCO2)n1 ZINC001304745349 1067824390 /nfs/dbraw/zinc/82/43/90/1067824390.db2.gz PLSJTOMVLOFKAG-ZRBLBEILSA-N 1 1 473.666 3.034 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC[C@@H]2CCCCO2)n1 ZINC001304745349 1067824411 /nfs/dbraw/zinc/82/44/11/1067824411.db2.gz PLSJTOMVLOFKAG-ZRBLBEILSA-N 1 1 473.666 3.034 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(F)(F)C2)C1 ZINC001303302539 1067827643 /nfs/dbraw/zinc/82/76/43/1067827643.db2.gz LKWMNIVYCJAVPX-SFHVURJKSA-N 1 1 496.628 3.161 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(F)(F)C2)C1 ZINC001303302538 1067827894 /nfs/dbraw/zinc/82/78/94/1067827894.db2.gz LKWMNIVYCJAVPX-GOSISDBHSA-N 1 1 496.628 3.161 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001303303287 1067828576 /nfs/dbraw/zinc/82/85/76/1067828576.db2.gz UHJQCNNOVOXYTO-GOSISDBHSA-N 1 1 493.027 3.153 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)n1 ZINC001304749002 1067828656 /nfs/dbraw/zinc/82/86/56/1067828656.db2.gz CVQMREVOQQUKRY-QFIPXVFZSA-N 1 1 455.651 3.169 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303445 1067829386 /nfs/dbraw/zinc/82/93/86/1067829386.db2.gz GYSVCMULAHDIBX-QFIPXVFZSA-N 1 1 483.661 3.441 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303856 1067829645 /nfs/dbraw/zinc/82/96/45/1067829645.db2.gz JUMUAGVASGSELF-RBUKOAKNSA-N 1 1 491.624 3.469 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303303937 1067829774 /nfs/dbraw/zinc/82/97/74/1067829774.db2.gz AYFOWQVXQRLUQY-NHCUHLMSSA-N 1 1 451.681 3.145 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Br)cs2)CC1 ZINC001303304147 1067830367 /nfs/dbraw/zinc/83/03/67/1067830367.db2.gz DBMJHTLISMEBLJ-UHFFFAOYSA-N 1 1 481.464 3.307 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C1 ZINC001303304119 1067830725 /nfs/dbraw/zinc/83/07/25/1067830725.db2.gz CIHPOUJTKVNTKH-FQEVSTJZSA-N 1 1 455.582 3.450 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001303304113 1067830748 /nfs/dbraw/zinc/83/07/48/1067830748.db2.gz CFPYRRQUSWKWHS-ICSRJNTNSA-N 1 1 496.077 3.254 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001303304115 1067830776 /nfs/dbraw/zinc/83/07/76/1067830776.db2.gz CFPYRRQUSWKWHS-UYAOXDASSA-N 1 1 496.077 3.254 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303304213 1067830804 /nfs/dbraw/zinc/83/08/04/1067830804.db2.gz MBIXZXQRBAJVMS-SFHVURJKSA-N 1 1 481.567 3.289 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303304510 1067831056 /nfs/dbraw/zinc/83/10/56/1067831056.db2.gz HZHYUPZVJOIHJF-QGZVFWFLSA-N 1 1 496.475 3.063 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001303304415 1067831326 /nfs/dbraw/zinc/83/13/26/1067831326.db2.gz GNNFSVZVQWIMJN-UHFFFAOYSA-N 1 1 486.418 3.103 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001303304520 1067831424 /nfs/dbraw/zinc/83/14/24/1067831424.db2.gz NLWZOOGALUWXHC-WOJBJXKFSA-N 1 1 456.610 3.220 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001303304568 1067831882 /nfs/dbraw/zinc/83/18/82/1067831882.db2.gz OCAFSCBOWSZGFC-QYZOEREBSA-N 1 1 465.639 3.462 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001303305013 1067832038 /nfs/dbraw/zinc/83/20/38/1067832038.db2.gz QJOSEZLBLKAVJF-IFMALSPDSA-N 1 1 460.667 3.035 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001303304938 1067832112 /nfs/dbraw/zinc/83/21/12/1067832112.db2.gz LCNYXFVANHMFCE-FYYLOGMGSA-N 1 1 452.647 3.241 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001303305049 1067832555 /nfs/dbraw/zinc/83/25/55/1067832555.db2.gz QTHKBSKWGVWOLD-AZUAARDMSA-N 1 1 459.038 3.310 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001303304949 1067832953 /nfs/dbraw/zinc/83/29/53/1067832953.db2.gz LIWZSIPZUXAUFH-SFHVURJKSA-N 1 1 475.037 3.333 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001303308427 1067836384 /nfs/dbraw/zinc/83/63/84/1067836384.db2.gz WOEDZNGUXCIYGI-XUTJKUGGSA-N 1 1 492.665 3.254 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304754582 1067836427 /nfs/dbraw/zinc/83/64/27/1067836427.db2.gz JZMHQWKJSOIDNP-GOSISDBHSA-N 1 1 469.556 3.029 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304754582 1067836431 /nfs/dbraw/zinc/83/64/31/1067836431.db2.gz JZMHQWKJSOIDNP-GOSISDBHSA-N 1 1 469.556 3.029 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001303309509 1067837164 /nfs/dbraw/zinc/83/71/64/1067837164.db2.gz BZNPDHASGCOPOV-UHFFFAOYSA-N 1 1 491.518 3.199 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n2CCC(C)(C)O)n1 ZINC001304755438 1067838084 /nfs/dbraw/zinc/83/80/84/1067838084.db2.gz ZOTBYEOYXXWHBR-QFIPXVFZSA-N 1 1 451.619 3.011 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)(C)O)CC1 ZINC001303310406 1067838253 /nfs/dbraw/zinc/83/82/53/1067838253.db2.gz HLMDXGYPQXEFHX-KDURUIRLSA-N 1 1 464.655 3.130 20 0 JGADMO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 ZINC001303310766 1067839592 /nfs/dbraw/zinc/83/95/92/1067839592.db2.gz LHZUUFGSXWNVKX-UHFFFAOYSA-N 1 1 474.625 3.029 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 ZINC001303310766 1067839598 /nfs/dbraw/zinc/83/95/98/1067839598.db2.gz LHZUUFGSXWNVKX-UHFFFAOYSA-N 1 1 474.625 3.029 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 ZINC001303310911 1067839695 /nfs/dbraw/zinc/83/96/95/1067839695.db2.gz MQLPSUMKNFUTBN-JOCHJYFZSA-N 1 1 466.051 3.299 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001304758630 1067843638 /nfs/dbraw/zinc/84/36/38/1067843638.db2.gz CJNYPIKMBHOSDZ-UHFFFAOYSA-N 1 1 498.720 3.489 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(F)ccc4F)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304758908 1067844135 /nfs/dbraw/zinc/84/41/35/1067844135.db2.gz DOBRWVOXDAQGBZ-UHFFFAOYSA-N 1 1 472.588 3.085 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304759307 1067844313 /nfs/dbraw/zinc/84/43/13/1067844313.db2.gz JDWUZMIFCFNBAC-GBXCKJPGSA-N 1 1 471.675 3.491 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3CCCOc3ccccc3)CC2)C1 ZINC001303318056 1067848105 /nfs/dbraw/zinc/84/81/05/1067848105.db2.gz HZPANIFSTKLZAH-DEOSSOPVSA-N 1 1 484.689 3.276 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCSC3)CC2)C1 ZINC001303318060 1067848217 /nfs/dbraw/zinc/84/82/17/1067848217.db2.gz ICRZKIOCMQOVQL-FCHUYYIVSA-N 1 1 478.751 3.241 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc([C@H]4CCCO4)n3CCSCC(F)(F)F)CC2)CC1 ZINC001303318456 1067849541 /nfs/dbraw/zinc/84/95/41/1067849541.db2.gz SCEWFXJDRFJIHB-LJQANCHMSA-N 1 1 490.640 3.420 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)n2CCCC(C)C)n1 ZINC001304762584 1067850068 /nfs/dbraw/zinc/85/00/68/1067850068.db2.gz BBOOLWYTBNFIQH-UHFFFAOYSA-N 1 1 467.666 3.248 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCOC[C@H]3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304765168 1067854488 /nfs/dbraw/zinc/85/44/88/1067854488.db2.gz ZJLQNLDMTJWDBY-IFMALSPDSA-N 1 1 451.619 3.275 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001303328272 1067856076 /nfs/dbraw/zinc/85/60/76/1067856076.db2.gz NNDOCQAVRRJOQI-MZEQIWSPSA-N 1 1 468.646 3.068 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001303328271 1067856231 /nfs/dbraw/zinc/85/62/31/1067856231.db2.gz NNDOCQAVRRJOQI-HXAGEGRHSA-N 1 1 468.646 3.068 20 0 JGADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001304767882 1067858191 /nfs/dbraw/zinc/85/81/91/1067858191.db2.gz AOUHNTXVTJRNEB-XMMPIXPASA-N 1 1 483.636 3.457 20 0 JGADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001304767881 1067858204 /nfs/dbraw/zinc/85/82/04/1067858204.db2.gz AOUHNTXVTJRNEB-DEOSSOPVSA-N 1 1 483.636 3.457 20 0 JGADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001304770011 1067860758 /nfs/dbraw/zinc/86/07/58/1067860758.db2.gz NTOQDLGOICEWSZ-NRFANRHFSA-N 1 1 455.607 3.296 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303330908 1067860821 /nfs/dbraw/zinc/86/08/21/1067860821.db2.gz HXAPRBACTNITNE-UHFFFAOYSA-N 1 1 481.645 3.073 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001303331620 1067861662 /nfs/dbraw/zinc/86/16/62/1067861662.db2.gz OQILHEAMGNLAGR-NRFANRHFSA-N 1 1 495.672 3.065 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC2COC(C)(C)OC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001303340157 1067868423 /nfs/dbraw/zinc/86/84/23/1067868423.db2.gz HPTQCYPXUVPRAW-UHFFFAOYSA-N 1 1 498.672 3.089 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCO2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001303342232 1067870767 /nfs/dbraw/zinc/87/07/67/1067870767.db2.gz NXUDGRMFQXFZGC-XZOQPEGZSA-N 1 1 468.646 3.334 20 0 JGADMO Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001304789009 1067881922 /nfs/dbraw/zinc/88/19/22/1067881922.db2.gz SEIVUUXOCYNZNF-DYESRHJHSA-N 1 1 460.648 3.228 20 0 JGADMO Cc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001304793399 1067883452 /nfs/dbraw/zinc/88/34/52/1067883452.db2.gz WLFBFTNBPBJCQQ-FQEVSTJZSA-N 1 1 455.550 3.450 20 0 JGADMO Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001304811840 1067888228 /nfs/dbraw/zinc/88/82/28/1067888228.db2.gz JXAYGMXNRXHJDA-QMMLZNLJSA-N 1 1 478.563 3.392 20 0 JGADMO Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001304812624 1067888530 /nfs/dbraw/zinc/88/85/30/1067888530.db2.gz ZUTMSPXFWRQTIM-AJSBUHFISA-N 1 1 484.645 3.227 20 0 JGADMO Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001304815387 1067890078 /nfs/dbraw/zinc/89/00/78/1067890078.db2.gz BFRLPWQCUYJDDI-OIBXWCBGSA-N 1 1 484.645 3.227 20 0 JGADMO Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001304815387 1067890094 /nfs/dbraw/zinc/89/00/94/1067890094.db2.gz BFRLPWQCUYJDDI-OIBXWCBGSA-N 1 1 484.645 3.227 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303363775 1067890813 /nfs/dbraw/zinc/89/08/13/1067890813.db2.gz SKPLDXZWPAUSTL-HSZRJFAPSA-N 1 1 468.646 3.191 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303365507 1067892736 /nfs/dbraw/zinc/89/27/36/1067892736.db2.gz PUSVSRUXUNGAFD-QHCPKHFHSA-N 1 1 482.673 3.413 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001303365849 1067893170 /nfs/dbraw/zinc/89/31/70/1067893170.db2.gz GIOWZICXZAUXOY-HXUWFJFHSA-N 1 1 495.672 3.044 20 0 JGADMO Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001304823227 1067893340 /nfs/dbraw/zinc/89/33/40/1067893340.db2.gz QHDMHCZLTWDHAO-KDURUIRLSA-N 1 1 464.655 3.217 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001303367866 1067897502 /nfs/dbraw/zinc/89/75/02/1067897502.db2.gz DLHWAEHMGKQURK-DRLORSAXSA-N 1 1 457.615 3.383 20 0 JGADMO Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304835787 1067897707 /nfs/dbraw/zinc/89/77/07/1067897707.db2.gz SGFOETWLNSBCRB-HDAAZOAOSA-N 1 1 464.655 3.215 20 0 JGADMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCn1cc(Br)cn1 ZINC001304837033 1067898207 /nfs/dbraw/zinc/89/82/07/1067898207.db2.gz FJQFMGOARKROAZ-FUHWJXTLSA-N 1 1 450.429 3.337 20 0 JGADMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCn1cc(Br)cn1 ZINC001304837034 1067898247 /nfs/dbraw/zinc/89/82/47/1067898247.db2.gz FJQFMGOARKROAZ-SJLPKXTDSA-N 1 1 450.429 3.337 20 0 JGADMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001304839783 1067899553 /nfs/dbraw/zinc/89/95/53/1067899553.db2.gz POQDIMOOJQXNSM-SIKLNZKXSA-N 1 1 456.610 3.175 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001303370287 1067899968 /nfs/dbraw/zinc/89/99/68/1067899968.db2.gz WYVARWZEVLYOGQ-VIZSFHNOSA-N 1 1 468.646 3.331 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(OCc3ccccc3F)CC2)n1CC[N@@H+](C)C(C)C ZINC001303372215 1067901567 /nfs/dbraw/zinc/90/15/67/1067901567.db2.gz CIJUFXJNDNHWAH-UHFFFAOYSA-N 1 1 460.598 3.081 20 0 JGADMO Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304849107 1067902858 /nfs/dbraw/zinc/90/28/58/1067902858.db2.gz NHTAEOJCCCDHNX-KDURUIRLSA-N 1 1 454.619 3.011 20 0 JGADMO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001304851631 1067904372 /nfs/dbraw/zinc/90/43/72/1067904372.db2.gz VWXREVHEIDTSIY-AUSIDOKSSA-N 1 1 484.645 3.037 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001304857988 1067907618 /nfs/dbraw/zinc/90/76/18/1067907618.db2.gz DYZDUZUKBVYBIX-AABGKKOBSA-N 1 1 467.536 3.442 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303378651 1067908248 /nfs/dbraw/zinc/90/82/48/1067908248.db2.gz INCYVMBNCJPHTQ-YADARESESA-N 1 1 456.660 3.270 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCc1ccc(Cl)s1 ZINC001304858280 1067908423 /nfs/dbraw/zinc/90/84/23/1067908423.db2.gz GPRSNTCAMNJQOW-SFHVURJKSA-N 1 1 462.019 3.106 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001304859030 1067909297 /nfs/dbraw/zinc/90/92/97/1067909297.db2.gz GPVUSHFZXNDBKW-HXUWFJFHSA-N 1 1 460.589 3.188 20 0 JGADMO Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCCn1cc(Br)cn1 ZINC001304859791 1067909660 /nfs/dbraw/zinc/90/96/60/1067909660.db2.gz QNLSJHHFVHXWKB-UHFFFAOYSA-N 1 1 464.437 3.410 20 0 JGADMO Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304860934 1067910025 /nfs/dbraw/zinc/91/00/25/1067910025.db2.gz PEPOGVAZPWLWGI-JOCHJYFZSA-N 1 1 499.704 3.344 20 0 JGADMO Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001304861455 1067910275 /nfs/dbraw/zinc/91/02/75/1067910275.db2.gz SSBWOGHQRVEHBR-KDURUIRLSA-N 1 1 494.610 3.497 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001303386833 1067914137 /nfs/dbraw/zinc/91/41/37/1067914137.db2.gz AKJZAKAUTOMDSP-UMEGOILYSA-N 1 1 488.702 3.476 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CCCCn3cc[nH+]c3C)CC2)n1 ZINC001304875568 1067919448 /nfs/dbraw/zinc/91/94/48/1067919448.db2.gz ODOTVUJFNKVXNU-GOSISDBHSA-N 1 1 469.638 3.427 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC001304876075 1067920282 /nfs/dbraw/zinc/92/02/82/1067920282.db2.gz QAXOCXLNSFZUGT-PZJWPPBQSA-N 1 1 458.655 3.172 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[C@H]1CCOc2ccccc21 ZINC001303396855 1067924861 /nfs/dbraw/zinc/92/48/61/1067924861.db2.gz VNUQEYIQPIXRBD-FQEVSTJZSA-N 1 1 454.619 3.293 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccccc1OC(F)F ZINC001303396909 1067925315 /nfs/dbraw/zinc/92/53/15/1067925315.db2.gz XIKJUHCEGUMUNO-UHFFFAOYSA-N 1 1 464.561 3.377 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001304882294 1067927071 /nfs/dbraw/zinc/92/70/71/1067927071.db2.gz UQFCBXGPXPSPHG-UHFFFAOYSA-N 1 1 459.982 3.346 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001304882294 1067927074 /nfs/dbraw/zinc/92/70/74/1067927074.db2.gz UQFCBXGPXPSPHG-UHFFFAOYSA-N 1 1 459.982 3.346 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304885388 1067929388 /nfs/dbraw/zinc/92/93/88/1067929388.db2.gz WUBMLABEEAXVNX-GOSISDBHSA-N 1 1 453.591 3.006 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001304886581 1067930790 /nfs/dbraw/zinc/93/07/90/1067930790.db2.gz NIKJGVCJTSGZBY-KRWDZBQOSA-N 1 1 472.565 3.206 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303402886 1067931513 /nfs/dbraw/zinc/93/15/13/1067931513.db2.gz RFWAVNZGZIPLFT-QFIPXVFZSA-N 1 1 467.662 3.398 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1cccc(C(F)F)c1 ZINC001303405494 1067933781 /nfs/dbraw/zinc/93/37/81/1067933781.db2.gz WBGDFJBOIBCQTR-KRWDZBQOSA-N 1 1 476.572 3.092 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(C(F)(F)F)cc1 ZINC001303405435 1067933805 /nfs/dbraw/zinc/93/38/05/1067933805.db2.gz TZVWIOIDKIEBKK-QGZVFWFLSA-N 1 1 494.562 3.173 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001304889897 1067934088 /nfs/dbraw/zinc/93/40/88/1067934088.db2.gz NMQFELMLASSKRD-FQEVSTJZSA-N 1 1 473.666 3.473 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCCC(C)(C)C ZINC001303408250 1067935358 /nfs/dbraw/zinc/93/53/58/1067935358.db2.gz QPFNWBLLTTZVFH-OAQYLSRUSA-N 1 1 456.635 3.098 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCC(C)(C)C1CC1 ZINC001303408373 1067935399 /nfs/dbraw/zinc/93/53/99/1067935399.db2.gz VDTADZFVIGNXKU-JOCHJYFZSA-N 1 1 468.646 3.098 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CCCOC1CCCC1 ZINC001303408432 1067935616 /nfs/dbraw/zinc/93/56/16/1067935616.db2.gz XFQOCWCJKUDOCJ-NRFANRHFSA-N 1 1 468.646 3.476 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CC1(C(C)C)CC1 ZINC001303409731 1067936492 /nfs/dbraw/zinc/93/64/92/1067936492.db2.gz KEMUATZGTHMDKN-UHFFFAOYSA-N 1 1 454.619 3.054 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CC[N@@H+]1CC=CCC1 ZINC001303414209 1067940451 /nfs/dbraw/zinc/94/04/51/1067940451.db2.gz IMCHRXXQGCKJCH-FQEVSTJZSA-N 1 1 476.984 3.049 20 0 JGADMO Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CCOC(C)C)CC2)on1 ZINC001304899594 1067943158 /nfs/dbraw/zinc/94/31/58/1067943158.db2.gz FAHMIROAUZFJQG-NHCUHLMSSA-N 1 1 460.623 3.088 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303416045 1067943761 /nfs/dbraw/zinc/94/37/61/1067943761.db2.gz ZSSXIGKQZDBYIT-NRFANRHFSA-N 1 1 490.599 3.394 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001304902792 1067947375 /nfs/dbraw/zinc/94/73/75/1067947375.db2.gz AUCCXARRFZRQKH-NFBKMPQASA-N 1 1 482.673 3.146 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304910596 1067953803 /nfs/dbraw/zinc/95/38/03/1067953803.db2.gz ICCZDHJFVGSIKU-ZVDOUQERSA-N 1 1 470.637 3.466 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304911102 1067954567 /nfs/dbraw/zinc/95/45/67/1067954567.db2.gz KKWITROVMNWNCN-OTWHNJEPSA-N 1 1 484.645 3.173 20 0 JGADMO CC(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001303431091 1067956008 /nfs/dbraw/zinc/95/60/08/1067956008.db2.gz WYWJMWUFGJYETQ-UHFFFAOYSA-N 1 1 479.604 3.030 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001304912987 1067957224 /nfs/dbraw/zinc/95/72/24/1067957224.db2.gz SEYHZPVEKFOYDB-ZCNNSNEGSA-N 1 1 486.636 3.420 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001304912982 1067957243 /nfs/dbraw/zinc/95/72/43/1067957243.db2.gz SEYHZPVEKFOYDB-HSALFYBXSA-N 1 1 486.636 3.420 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304922515 1067963597 /nfs/dbraw/zinc/96/35/97/1067963597.db2.gz ASVAJQFDWKICDZ-WOZUAGRISA-N 1 1 492.690 3.233 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303441088 1067963607 /nfs/dbraw/zinc/96/36/07/1067963607.db2.gz OOMVAHQQURCFFH-DENIHFKCSA-N 1 1 470.618 3.016 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001304923151 1067964384 /nfs/dbraw/zinc/96/43/84/1067964384.db2.gz ATDPQTXNHWNOSC-MTHXSQLBSA-N 1 1 452.594 3.325 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923178 1067964818 /nfs/dbraw/zinc/96/48/18/1067964818.db2.gz BKCZOKBSYSBJDZ-HSALFYBXSA-N 1 1 478.645 3.403 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001304923270 1067964858 /nfs/dbraw/zinc/96/48/58/1067964858.db2.gz AXGLHIMENLMGTO-FGTMMUONSA-N 1 1 477.057 3.011 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(Br)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001304923881 1067965911 /nfs/dbraw/zinc/96/59/11/1067965911.db2.gz GOIWNRUJOMQIBH-HDICACEKSA-N 1 1 489.462 3.402 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001304923860 1067965921 /nfs/dbraw/zinc/96/59/21/1067965921.db2.gz GJVXDKVZJYMLEI-CALCHBBNSA-N 1 1 479.551 3.451 20 0 JGADMO CC(C)NC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303443835 1067966055 /nfs/dbraw/zinc/96/60/55/1067966055.db2.gz FIMNRDFZIPLFKY-SFHVURJKSA-N 1 1 460.598 3.392 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001304924071 1067966306 /nfs/dbraw/zinc/96/63/06/1067966306.db2.gz HFWYBHNQQNVODE-ZVDOUQERSA-N 1 1 476.666 3.253 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001304924013 1067966359 /nfs/dbraw/zinc/96/63/59/1067966359.db2.gz GZRJAXCGUMLBSG-CUXKYVRBSA-N 1 1 498.676 3.453 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924179 1067966549 /nfs/dbraw/zinc/96/65/49/1067966549.db2.gz HXCIMFKFWQSCGC-MHTWAQMVSA-N 1 1 476.691 3.454 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001303447016 1067967812 /nfs/dbraw/zinc/96/78/12/1067967812.db2.gz BPURUIANGRZCPA-FQEVSTJZSA-N 1 1 455.651 3.289 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001303448035 1067969056 /nfs/dbraw/zinc/96/90/56/1067969056.db2.gz LOTHRSKVEMAUPS-UHFFFAOYSA-N 1 1 468.005 3.230 20 0 JGADMO CC(C)NC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001303454055 1067973993 /nfs/dbraw/zinc/97/39/93/1067973993.db2.gz MUEWWAOWQHLFMU-UHFFFAOYSA-N 1 1 473.046 3.431 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CCc3ccccc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304928016 1067974703 /nfs/dbraw/zinc/97/47/03/1067974703.db2.gz XXWCPFXXDAYGNG-ZDXQCDESSA-N 1 1 487.714 3.445 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CCc3ccccc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304928012 1067974722 /nfs/dbraw/zinc/97/47/22/1067974722.db2.gz XXWCPFXXDAYGNG-AOHZBQACSA-N 1 1 487.714 3.445 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304927875 1067974824 /nfs/dbraw/zinc/97/48/24/1067974824.db2.gz XDXLNXHYNLGEOF-OYRHEFFESA-N 1 1 488.702 3.035 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3cccnc3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304928067 1067975246 /nfs/dbraw/zinc/97/52/46/1067975246.db2.gz LWHQLFMSYASCAG-ZRZAMGCNSA-N 1 1 483.705 3.179 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928748 1067976644 /nfs/dbraw/zinc/97/66/44/1067976644.db2.gz QOSMOYFIOQQOIO-ZDXQCDESSA-N 1 1 481.689 3.373 20 0 JGADMO CC(C)NS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001303467560 1067986039 /nfs/dbraw/zinc/98/60/39/1067986039.db2.gz AKVHYMSQACXQKP-UHFFFAOYSA-N 1 1 495.093 3.381 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001304942257 1067993267 /nfs/dbraw/zinc/99/32/67/1067993267.db2.gz XBKGUGJPYRAKQZ-RZUBCFFCSA-N 1 1 484.670 3.443 20 0 JGADMO C[C@@H]1C[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304946325 1067998068 /nfs/dbraw/zinc/99/80/68/1067998068.db2.gz CAKFIICZIRAYOS-CVEARBPZSA-N 1 1 465.440 3.249 20 0 JGADMO C[C@@H]1C[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304946325 1067998073 /nfs/dbraw/zinc/99/80/73/1067998073.db2.gz CAKFIICZIRAYOS-CVEARBPZSA-N 1 1 465.440 3.249 20 0 JGADMO C[C@H]1C[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304946328 1067998109 /nfs/dbraw/zinc/99/81/09/1067998109.db2.gz CAKFIICZIRAYOS-JKSUJKDBSA-N 1 1 465.440 3.249 20 0 JGADMO C[C@H]1C[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304946328 1067998116 /nfs/dbraw/zinc/99/81/16/1067998116.db2.gz CAKFIICZIRAYOS-JKSUJKDBSA-N 1 1 465.440 3.249 20 0 JGADMO C[C@@H]1C[C@H](N(C)c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001304952752 1068001026 /nfs/dbraw/zinc/00/10/26/1068001026.db2.gz QUEYDYMUVVAFHK-ZJSXRUAMSA-N 1 1 496.681 3.188 20 0 JGADMO C[C@@H]1C[C@@H](N(C)c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304953211 1068001069 /nfs/dbraw/zinc/00/10/69/1068001069.db2.gz RDDXUVMWXGIQQG-OFNKIYASSA-N 1 1 488.702 3.316 20 0 JGADMO C[C@@H]1C[C@H](N(C)c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304953820 1068001411 /nfs/dbraw/zinc/00/14/11/1068001411.db2.gz SPLPBYDXNMEWLA-NFBKMPQASA-N 1 1 461.614 3.308 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@]2(C)CCCS2)CCOC1 ZINC001303481257 1068001614 /nfs/dbraw/zinc/00/16/14/1068001614.db2.gz IVADKEXDOLXTJO-RPBOFIJWSA-N 1 1 495.734 3.399 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@]2(C)CCCS2)CCOC1 ZINC001303481253 1068001838 /nfs/dbraw/zinc/00/18/38/1068001838.db2.gz IVADKEXDOLXTJO-JWQCQUIFSA-N 1 1 495.734 3.399 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(F)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303481529 1068002644 /nfs/dbraw/zinc/00/26/44/1068002644.db2.gz PPBQWAXUIFYHRB-BVAGGSTKSA-N 1 1 489.636 3.451 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCCCS2)CCOC1 ZINC001303482160 1068004035 /nfs/dbraw/zinc/00/40/35/1068004035.db2.gz QDKLOHPDUDAGIK-OFVILXPXSA-N 1 1 495.734 3.399 20 0 JGADMO C[C@@H]1C[C@@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304961854 1068005727 /nfs/dbraw/zinc/00/57/27/1068005727.db2.gz POBQPSOYBKCRJM-CEXWTWQISA-N 1 1 462.639 3.478 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303484287 1068007204 /nfs/dbraw/zinc/00/72/04/1068007204.db2.gz OPVYMDDGTHYZPL-UXGLMHHASA-N 1 1 493.693 3.069 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303484287 1068007216 /nfs/dbraw/zinc/00/72/16/1068007216.db2.gz OPVYMDDGTHYZPL-UXGLMHHASA-N 1 1 493.693 3.069 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303485982 1068008272 /nfs/dbraw/zinc/00/82/72/1068008272.db2.gz WWKKIHHDODTHQG-WIYYLYMNSA-N 1 1 477.572 3.064 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303485975 1068008444 /nfs/dbraw/zinc/00/84/44/1068008444.db2.gz WWKKIHHDODTHQG-NQIIRXRSSA-N 1 1 477.572 3.064 20 0 JGADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)s2)o1 ZINC001303486571 1068008892 /nfs/dbraw/zinc/00/88/92/1068008892.db2.gz MYCXNAGFBQQLQF-IBGZPJMESA-N 1 1 452.580 3.135 20 0 JGADMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303487080 1068009885 /nfs/dbraw/zinc/00/98/85/1068009885.db2.gz WKLBIVVBJYGXAC-GBXCKJPGSA-N 1 1 451.611 3.253 20 0 JGADMO CC1CCC(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001304973555 1068013404 /nfs/dbraw/zinc/01/34/04/1068013404.db2.gz AEZQYKMHGGHOBI-PYLIKVBRSA-N 1 1 490.693 3.474 20 0 JGADMO CC1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001304979625 1068017697 /nfs/dbraw/zinc/01/76/97/1068017697.db2.gz RQACTBOTHQRSAW-UHFFFAOYSA-N 1 1 474.675 3.395 20 0 JGADMO CC1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001304979625 1068017711 /nfs/dbraw/zinc/01/77/11/1068017711.db2.gz RQACTBOTHQRSAW-UHFFFAOYSA-N 1 1 474.675 3.395 20 0 JGADMO COc1ccc2sc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)c(C)c2c1 ZINC001303494032 1068019915 /nfs/dbraw/zinc/01/99/15/1068019915.db2.gz VSXXFHGKPYFMSO-OAQYLSRUSA-N 1 1 451.592 3.333 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304981970 1068022876 /nfs/dbraw/zinc/02/28/76/1068022876.db2.gz CJTDEQIXKMWOTQ-NEKDWFFYSA-N 1 1 495.716 3.292 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC[C@]4(CCSC4)C3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303497469 1068025098 /nfs/dbraw/zinc/02/50/98/1068025098.db2.gz VCCKCRAOJDOTIO-GOTSBHOMSA-N 1 1 451.681 3.382 20 0 JGADMO C[C@@H]1CCC[C@H](N(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001304984896 1068027926 /nfs/dbraw/zinc/02/79/26/1068027926.db2.gz AJAJBZQZCCPLEA-AABGKKOBSA-N 1 1 474.675 3.131 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001303501137 1068028412 /nfs/dbraw/zinc/02/84/12/1068028412.db2.gz FARGBSABQFIQOX-VWLOTQADSA-N 1 1 462.683 3.114 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(=O)N(C)C2CCCCC2)CCOC1 ZINC001303502826 1068033618 /nfs/dbraw/zinc/03/36/18/1068033618.db2.gz WECHBDJAZGLKJJ-SANMLTNESA-N 1 1 490.693 3.030 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCOC1 ZINC001303502929 1068033773 /nfs/dbraw/zinc/03/37/73/1068033773.db2.gz BDOXETQMVNYVJW-RUZDIDTESA-N 1 1 475.609 3.205 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCCN(c4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303503333 1068034861 /nfs/dbraw/zinc/03/48/61/1068034861.db2.gz XPHNHDVYUIPQFH-SANMLTNESA-N 1 1 470.662 3.376 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(c4cc(F)ccc4F)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303503618 1068035427 /nfs/dbraw/zinc/03/54/27/1068035427.db2.gz SXCCKRHVFIXTPE-RUZDIDTESA-N 1 1 492.615 3.264 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303504030 1068036132 /nfs/dbraw/zinc/03/61/32/1068036132.db2.gz UCIRKNBCVAUQJX-KCWPFWIISA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303504030 1068036151 /nfs/dbraw/zinc/03/61/51/1068036151.db2.gz UCIRKNBCVAUQJX-KCWPFWIISA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303504033 1068036216 /nfs/dbraw/zinc/03/62/16/1068036216.db2.gz UCIRKNBCVAUQJX-WNCULLNHSA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303504033 1068036228 /nfs/dbraw/zinc/03/62/28/1068036228.db2.gz UCIRKNBCVAUQJX-WNCULLNHSA-N 1 1 484.689 3.370 20 0 JGADMO C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304995548 1068038189 /nfs/dbraw/zinc/03/81/89/1068038189.db2.gz JVAPONRYDVDKKJ-UUOWRZLLSA-N 1 1 477.053 3.339 20 0 JGADMO C[C@@H]1CCC[C@]1(O)Cn1c(Cc2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304995657 1068038389 /nfs/dbraw/zinc/03/83/89/1068038389.db2.gz OJVLMHAMRWHQTP-PUFAWVJESA-N 1 1 459.610 3.105 20 0 JGADMO C[C@@H]1CCC[C@]1(O)Cn1c(Cc2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304995657 1068038405 /nfs/dbraw/zinc/03/84/05/1068038405.db2.gz OJVLMHAMRWHQTP-PUFAWVJESA-N 1 1 459.610 3.105 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CC(F)(F)F)CCOC1 ZINC001303505472 1068039262 /nfs/dbraw/zinc/03/92/62/1068039262.db2.gz KWBNDCDRKIPVHD-IBGZPJMESA-N 1 1 459.538 3.265 20 0 JGADMO C[C@@H]1CCCC[C@@H]1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305000806 1068043620 /nfs/dbraw/zinc/04/36/20/1068043620.db2.gz AELNNISVIPHPKE-NJYVYQBISA-N 1 1 481.707 3.086 20 0 JGADMO C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccccc2F)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305001510 1068044013 /nfs/dbraw/zinc/04/40/13/1068044013.db2.gz QKUCABMMXSGOLB-FQRUVTKNSA-N 1 1 489.636 3.342 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303509839 1068044029 /nfs/dbraw/zinc/04/40/29/1068044029.db2.gz JBMZZVNCXOSVHB-STLQEOKTSA-N 1 1 471.646 3.046 20 0 JGADMO C[C@@H]1CCCC[C@H]1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305002143 1068044741 /nfs/dbraw/zinc/04/47/41/1068044741.db2.gz DWLSYTNWIKFMMO-BHIFYINESA-N 1 1 495.734 3.334 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303510827 1068046277 /nfs/dbraw/zinc/04/62/77/1068046277.db2.gz QANKGXARKGKMDR-FBHSLPMESA-N 1 1 481.707 3.150 20 0 JGADMO C[C@@H]1CCCC[C@@H]1OCCn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305004452 1068046801 /nfs/dbraw/zinc/04/68/01/1068046801.db2.gz MJMVMJZMWVGPBC-GGAORHGYSA-N 1 1 470.662 3.406 20 0 JGADMO C[C@@H]1CCCC[C@@H]1OCCn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305004452 1068046814 /nfs/dbraw/zinc/04/68/14/1068046814.db2.gz MJMVMJZMWVGPBC-GGAORHGYSA-N 1 1 470.662 3.406 20 0 JGADMO C[C@H]1CCCC[C@@H]1OCCn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305005132 1068047533 /nfs/dbraw/zinc/04/75/33/1068047533.db2.gz QIEBYPWXZSTTQB-UNMCSNQZSA-N 1 1 473.666 3.069 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001305012055 1068052639 /nfs/dbraw/zinc/05/26/39/1068052639.db2.gz IEAYFLLTLWAJIC-XWSJACJDSA-N 1 1 498.694 3.189 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001305012055 1068052651 /nfs/dbraw/zinc/05/26/51/1068052651.db2.gz IEAYFLLTLWAJIC-XWSJACJDSA-N 1 1 498.694 3.189 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305012926 1068053255 /nfs/dbraw/zinc/05/32/55/1068053255.db2.gz CVHGHOZLKBQLIR-TYBLODHISA-N 1 1 460.667 3.012 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001305013345 1068053770 /nfs/dbraw/zinc/05/37/70/1068053770.db2.gz GYMPYDBRPMSNII-IRLDBZIGSA-N 1 1 495.734 3.476 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001305013502 1068053863 /nfs/dbraw/zinc/05/38/63/1068053863.db2.gz JUXQAFXOJSVNOS-SFTDATJTSA-N 1 1 460.667 3.420 20 0 JGADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305013841 1068054260 /nfs/dbraw/zinc/05/42/60/1068054260.db2.gz ACVHFWHZOQHVAD-PMACEKPBSA-N 1 1 499.685 3.393 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 ZINC001305013995 1068055104 /nfs/dbraw/zinc/05/51/04/1068055104.db2.gz OWBQZWJGDONGJU-PMACEKPBSA-N 1 1 477.650 3.143 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001305014666 1068056338 /nfs/dbraw/zinc/05/63/38/1068056338.db2.gz UKCDRUCQBKOUSY-AOMKIAJQSA-N 1 1 492.466 3.392 20 0 JGADMO C[C@H]1COCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001305015308 1068057166 /nfs/dbraw/zinc/05/71/66/1068057166.db2.gz DEBPVGHWUXEORZ-OALUTQOASA-N 1 1 460.648 3.149 20 0 JGADMO C[C@@H]1CCCC[N@@H+]1CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H]1C ZINC001305015307 1068057419 /nfs/dbraw/zinc/05/74/19/1068057419.db2.gz DEBPVGHWUXEORZ-MOPGFXCFSA-N 1 1 460.648 3.149 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCSCCCO)C1 ZINC001305015281 1068057541 /nfs/dbraw/zinc/05/75/41/1068057541.db2.gz VOEHEFLZACYQSS-YPAWHYETSA-N 1 1 465.708 3.379 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)C1 ZINC001305015482 1068058189 /nfs/dbraw/zinc/05/81/89/1068058189.db2.gz XDFBNTSHYNPXIW-PMACEKPBSA-N 1 1 469.634 3.177 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CC2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001305015820 1068058545 /nfs/dbraw/zinc/05/85/45/1068058545.db2.gz FPYSMLKOFRUSND-FQEVSTJZSA-N 1 1 480.723 3.183 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305015838 1068058820 /nfs/dbraw/zinc/05/88/20/1068058820.db2.gz FZCJINCMUCHWCJ-PMACEKPBSA-N 1 1 499.685 3.469 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001303530513 1068059177 /nfs/dbraw/zinc/05/91/77/1068059177.db2.gz FIAGTKJTRKXWNK-MJGOQNOKSA-N 1 1 482.000 3.089 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001303530513 1068059192 /nfs/dbraw/zinc/05/91/92/1068059192.db2.gz FIAGTKJTRKXWNK-MJGOQNOKSA-N 1 1 482.000 3.089 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CCCc2ccccn2)C1 ZINC001305016704 1068059767 /nfs/dbraw/zinc/05/97/67/1068059767.db2.gz ATUAKKGPPLTYEQ-NRFANRHFSA-N 1 1 467.662 3.489 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305016651 1068059843 /nfs/dbraw/zinc/05/98/43/1068059843.db2.gz IHYZSOMUHGASAC-FYYLOGMGSA-N 1 1 473.687 3.341 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001305016888 1068060600 /nfs/dbraw/zinc/06/06/00/1068060600.db2.gz JXKANNFCYRRLBK-QHCPKHFHSA-N 1 1 487.737 3.266 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001305017255 1068061068 /nfs/dbraw/zinc/06/10/68/1068061068.db2.gz CORFMQGEEKSYPI-JTHBVZDNSA-N 1 1 494.750 3.383 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC001303531957 1068061344 /nfs/dbraw/zinc/06/13/44/1068061344.db2.gz UVPIBOZXKZWJCP-BJKOFHAPSA-N 1 1 485.673 3.497 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001305018199 1068062253 /nfs/dbraw/zinc/06/22/53/1068062253.db2.gz HKVFCQRMZYDLAC-LEWJYISDSA-N 1 1 489.709 3.313 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(Cc2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001305018180 1068062380 /nfs/dbraw/zinc/06/23/80/1068062380.db2.gz STQMUUBQQODIPJ-SFHVURJKSA-N 1 1 466.552 3.422 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001305018565 1068063664 /nfs/dbraw/zinc/06/36/64/1068063664.db2.gz TWKZVBIWWUIUIA-QFIPXVFZSA-N 1 1 471.694 3.343 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001303535909 1068064424 /nfs/dbraw/zinc/06/44/24/1068064424.db2.gz GWYUXXXOYCOCDA-QHCPKHFHSA-N 1 1 456.635 3.159 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 ZINC001305019756 1068065932 /nfs/dbraw/zinc/06/59/32/1068065932.db2.gz RUXAGDIWEHZEHG-IBGZPJMESA-N 1 1 483.642 3.040 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305019923 1068066827 /nfs/dbraw/zinc/06/68/27/1068066827.db2.gz OMZKTYRFWSSIBP-BWKNWUBXSA-N 1 1 473.666 3.162 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305019924 1068067056 /nfs/dbraw/zinc/06/70/56/1068067056.db2.gz OMZKTYRFWSSIBP-OFVILXPXSA-N 1 1 473.666 3.162 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305020575 1068068397 /nfs/dbraw/zinc/06/83/97/1068068397.db2.gz CHCOOZQHEHWQPY-MJGOQNOKSA-N 1 1 493.578 3.355 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305021297 1068069571 /nfs/dbraw/zinc/06/95/71/1068069571.db2.gz ULFKOYFEDAPCEY-RBUKOAKNSA-N 1 1 453.697 3.391 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305021597 1068069853 /nfs/dbraw/zinc/06/98/53/1068069853.db2.gz YEXWEWDKOPWERB-FXAWDEMLSA-N 1 1 497.612 3.434 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305021599 1068070016 /nfs/dbraw/zinc/07/00/16/1068070016.db2.gz YEXWEWDKOPWERB-XLIONFOSSA-N 1 1 497.612 3.434 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001305021131 1068070102 /nfs/dbraw/zinc/07/01/02/1068070102.db2.gz WSHPNNGNUNFSES-PZJWPPBQSA-N 1 1 475.659 3.228 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCN2CCOCC2)C1 ZINC001305021373 1068070456 /nfs/dbraw/zinc/07/04/56/1068070456.db2.gz VNSBKHQHSROOLW-NRFANRHFSA-N 1 1 472.653 3.287 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305021298 1068070564 /nfs/dbraw/zinc/07/05/64/1068070564.db2.gz ULFKOYFEDAPCEY-RTBURBONSA-N 1 1 453.697 3.391 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001305021644 1068071546 /nfs/dbraw/zinc/07/15/46/1068071546.db2.gz YTTLJKANWQKAAP-RTBURBONSA-N 1 1 474.600 3.469 20 0 JGADMO CC(C)OCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303543070 1068071579 /nfs/dbraw/zinc/07/15/79/1068071579.db2.gz KXBIDRJPACGVSW-JOCHJYFZSA-N 1 1 481.707 3.088 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305021893 1068072297 /nfs/dbraw/zinc/07/22/97/1068072297.db2.gz INSIRNHFWYDNAE-QZTJIDSGSA-N 1 1 460.648 3.093 20 0 JGADMO CC(C)OCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001303543962 1068072471 /nfs/dbraw/zinc/07/24/71/1068072471.db2.gz XDARFVFWWMLPBW-REWPJTCUSA-N 1 1 459.610 3.370 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305021976 1068072711 /nfs/dbraw/zinc/07/27/11/1068072711.db2.gz IZGBHOXQXLNARU-ROUUACIJSA-N 1 1 480.654 3.174 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305022035 1068072760 /nfs/dbraw/zinc/07/27/60/1068072760.db2.gz WSSJRNMOPQRYCI-PLACYPQZSA-N 1 1 460.667 3.163 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022135 1068072843 /nfs/dbraw/zinc/07/28/43/1068072843.db2.gz JTDOAHNSCORYMB-QUCCMNQESA-N 1 1 470.666 3.174 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305022297 1068072978 /nfs/dbraw/zinc/07/29/78/1068072978.db2.gz AUSVKUHRFCVCCZ-CEXWTWQISA-N 1 1 455.607 3.050 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305022038 1068073003 /nfs/dbraw/zinc/07/30/03/1068073003.db2.gz WSSJRNMOPQRYCI-UWHLTILDSA-N 1 1 460.667 3.163 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305022041 1068073031 /nfs/dbraw/zinc/07/30/31/1068073031.db2.gz WSSJRNMOPQRYCI-XRXFAXGQSA-N 1 1 460.667 3.163 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001305022394 1068073416 /nfs/dbraw/zinc/07/34/16/1068073416.db2.gz YSOUVCGBFBUJIC-SLFFLAALSA-N 1 1 462.639 3.150 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001305022393 1068073452 /nfs/dbraw/zinc/07/34/52/1068073452.db2.gz YSOUVCGBFBUJIC-AQNXPRMDSA-N 1 1 462.639 3.150 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001305022827 1068073936 /nfs/dbraw/zinc/07/39/36/1068073936.db2.gz ODYKYSQCDZHEGV-SFHVURJKSA-N 1 1 457.623 3.081 20 0 JGADMO CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303549047 1068075610 /nfs/dbraw/zinc/07/56/10/1068075610.db2.gz MEAJILWZJAXYEX-YADHBBJMSA-N 1 1 454.619 3.145 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001305023317 1068076069 /nfs/dbraw/zinc/07/60/69/1068076069.db2.gz GJZIJYWULNSGHS-RBUKOAKNSA-N 1 1 457.623 3.297 20 0 JGADMO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305023409 1068076442 /nfs/dbraw/zinc/07/64/42/1068076442.db2.gz HJFXWDRAAQUVGX-QZTJIDSGSA-N 1 1 459.616 3.293 20 0 JGADMO CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303549862 1068076480 /nfs/dbraw/zinc/07/64/80/1068076480.db2.gz HWAJXKWFMMFOCA-UNMCSNQZSA-N 1 1 454.619 3.145 20 0 JGADMO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305023407 1068076567 /nfs/dbraw/zinc/07/65/67/1068076567.db2.gz HJFXWDRAAQUVGX-MSOLQXFVSA-N 1 1 459.616 3.293 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305023742 1068077396 /nfs/dbraw/zinc/07/73/96/1068077396.db2.gz IWOVXKXSUFJGPL-VQTJNVASSA-N 1 1 454.619 3.190 20 0 JGADMO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023620 1068077687 /nfs/dbraw/zinc/07/76/87/1068077687.db2.gz CGTSAQBEGSUYID-HSALFYBXSA-N 1 1 462.639 3.307 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305024539 1068078613 /nfs/dbraw/zinc/07/86/13/1068078613.db2.gz GYACATFJGVSSFO-LEWJYISDSA-N 1 1 467.662 3.079 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305025087 1068079562 /nfs/dbraw/zinc/07/95/62/1068079562.db2.gz KGKUGBQNGUITID-HKBOAZHASA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001303555038 1068080674 /nfs/dbraw/zinc/08/06/74/1068080674.db2.gz WIDZSSKTXAKTAI-FYYLOGMGSA-N 1 1 468.646 3.428 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305027991 1068084259 /nfs/dbraw/zinc/08/42/59/1068084259.db2.gz BWFJNOHXBHMMDD-SWYRRKHMSA-N 1 1 493.693 3.274 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305028294 1068084607 /nfs/dbraw/zinc/08/46/07/1068084607.db2.gz YCBHWTVMQLEUAT-FCHUYYIVSA-N 1 1 467.662 3.079 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028139 1068084650 /nfs/dbraw/zinc/08/46/50/1068084650.db2.gz XQDPCSFCKZGKHX-AOIWGVFYSA-N 1 1 491.624 3.469 20 0 JGADMO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028627 1068085719 /nfs/dbraw/zinc/08/57/19/1068085719.db2.gz HZGBFICOXXFHKE-FSSWDIPSSA-N 1 1 452.647 3.241 20 0 JGADMO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028797 1068086618 /nfs/dbraw/zinc/08/66/18/1068086618.db2.gz KLVJRQPCQAZJJK-WSTZPKSXSA-N 1 1 496.077 3.254 20 0 JGADMO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(F)cc(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028980 1068087373 /nfs/dbraw/zinc/08/73/73/1068087373.db2.gz MSVHMZJAJBVZCC-MSOLQXFVSA-N 1 1 460.573 3.436 20 0 JGADMO C[C@H](Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305028825 1068087439 /nfs/dbraw/zinc/08/74/39/1068087439.db2.gz KVFFLCCYKTUIRH-FGZHOGPDSA-N 1 1 487.737 3.267 20 0 JGADMO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C)CC1)C[NH+]1CCOCC1 ZINC001305032707 1068089827 /nfs/dbraw/zinc/08/98/27/1068089827.db2.gz GVJSPEQJBLOPOS-PMACEKPBSA-N 1 1 489.064 3.456 20 0 JGADMO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C)CC1)C[NH+]1CCOCC1 ZINC001305032709 1068089916 /nfs/dbraw/zinc/08/99/16/1068089916.db2.gz GVJSPEQJBLOPOS-UXHICEINSA-N 1 1 489.064 3.456 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccc2F)CC1 ZINC001303567116 1068090252 /nfs/dbraw/zinc/09/02/52/1068090252.db2.gz PCXYYTKUCDEBRT-UHFFFAOYSA-N 1 1 486.636 3.178 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001303567396 1068090621 /nfs/dbraw/zinc/09/06/21/1068090621.db2.gz VKOKJIPWSWDMQF-JOCHJYFZSA-N 1 1 468.646 3.255 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305036463 1068092339 /nfs/dbraw/zinc/09/23/39/1068092339.db2.gz WAWXHHNCSIHROV-HSALFYBXSA-N 1 1 462.664 3.035 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001303570224 1068093531 /nfs/dbraw/zinc/09/35/31/1068093531.db2.gz CDFJMDUEEFEBNO-UHFFFAOYSA-N 1 1 454.541 3.399 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001303570713 1068094821 /nfs/dbraw/zinc/09/48/21/1068094821.db2.gz WGEGNDYSBBAZGI-NRFANRHFSA-N 1 1 469.659 3.252 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)Nc2ccccc2)CC1 ZINC001303570768 1068094858 /nfs/dbraw/zinc/09/48/58/1068094858.db2.gz FDJXUVVPPVKYKA-QFIPXVFZSA-N 1 1 470.618 3.096 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCc2c(F)cccc2F)CC1 ZINC001303570784 1068094942 /nfs/dbraw/zinc/09/49/42/1068094942.db2.gz FNTKJOGKMUGIJA-UHFFFAOYSA-N 1 1 470.568 3.332 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001303570799 1068095335 /nfs/dbraw/zinc/09/53/35/1068095335.db2.gz FRRUZWTYOUDWGS-UHFFFAOYSA-N 1 1 482.551 3.477 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305042001 1068096916 /nfs/dbraw/zinc/09/69/16/1068096916.db2.gz GYPBCLAITMKLTE-NXLVEIQXSA-N 1 1 462.683 3.409 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001303572214 1068097670 /nfs/dbraw/zinc/09/76/70/1068097670.db2.gz YXVGMSJDEQVVLL-DHIUTWEWSA-N 1 1 456.635 3.164 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001305043050 1068099156 /nfs/dbraw/zinc/09/91/56/1068099156.db2.gz NDZXSSFLJYQSDS-HXUWFJFHSA-N 1 1 460.667 3.306 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CCS1 ZINC001305042751 1068099211 /nfs/dbraw/zinc/09/92/11/1068099211.db2.gz KTSHMHHLUCECJI-RBUKOAKNSA-N 1 1 457.648 3.379 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044262 1068100745 /nfs/dbraw/zinc/10/07/45/1068100745.db2.gz YRKSHPUXYGAPEL-YEPRJOMISA-N 1 1 474.675 3.083 20 0 JGADMO CC(C)N(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305044113 1068100817 /nfs/dbraw/zinc/10/08/17/1068100817.db2.gz WQWSAARZVJKWMF-ZWKOTPCHSA-N 1 1 468.693 3.097 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CC3CCCC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001305045092 1068102486 /nfs/dbraw/zinc/10/24/86/1068102486.db2.gz BYPLVOJEUXXOSM-HXUWFJFHSA-N 1 1 459.683 3.373 20 0 JGADMO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044842 1068102502 /nfs/dbraw/zinc/10/25/02/1068102502.db2.gz BCAMPYZEOPGUSV-TZIWHRDSSA-N 1 1 477.650 3.466 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC001305045366 1068103197 /nfs/dbraw/zinc/10/31/97/1068103197.db2.gz CZJKRFQKAZAKFD-FGZHOGPDSA-N 1 1 457.667 3.481 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccsc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305047105 1068105269 /nfs/dbraw/zinc/10/52/69/1068105269.db2.gz LPNRQQLVIPQLHR-AZUAARDMSA-N 1 1 465.689 3.066 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(CCOc3ccccc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305046988 1068105303 /nfs/dbraw/zinc/10/53/03/1068105303.db2.gz DKQKHAAPLPKMLV-JTHBVZDNSA-N 1 1 489.686 3.035 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001305047101 1068105382 /nfs/dbraw/zinc/10/53/82/1068105382.db2.gz LPBFJBRNFJVPBH-IBGZPJMESA-N 1 1 456.610 3.222 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)OC2CCCC2)C1 ZINC001305047015 1068105450 /nfs/dbraw/zinc/10/54/50/1068105450.db2.gz AFFRVZGFCSGQHL-IBGZPJMESA-N 1 1 490.674 3.238 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001305047653 1068106700 /nfs/dbraw/zinc/10/67/00/1068106700.db2.gz LWAAUTDJVZPSAY-UXHICEINSA-N 1 1 472.600 3.369 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001305047965 1068106726 /nfs/dbraw/zinc/10/67/26/1068106726.db2.gz HGOCGNJPZOHJIE-QFBILLFUSA-N 1 1 471.499 3.496 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001305048413 1068107155 /nfs/dbraw/zinc/10/71/55/1068107155.db2.gz MNMGLXHPRHNUFV-QZTJIDSGSA-N 1 1 491.624 3.471 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)C[C@H](C)C2)C1 ZINC001305048249 1068107185 /nfs/dbraw/zinc/10/71/85/1068107185.db2.gz MDXDCEUTUXRXBG-CGXNFDGLSA-N 1 1 451.681 3.175 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001305048665 1068107937 /nfs/dbraw/zinc/10/79/37/1068107937.db2.gz LANFMHBAQUYOCP-DLBZAZTESA-N 1 1 466.602 3.483 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001305049019 1068107986 /nfs/dbraw/zinc/10/79/86/1068107986.db2.gz NFEJSDLAWIXASU-OALUTQOASA-N 1 1 480.583 3.320 20 0 JGADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303586577 1068108070 /nfs/dbraw/zinc/10/80/70/1068108070.db2.gz CUVMGDLFMFYKDY-INIZCTEOSA-N 1 1 459.545 3.265 20 0 JGADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303586577 1068108074 /nfs/dbraw/zinc/10/80/74/1068108074.db2.gz CUVMGDLFMFYKDY-INIZCTEOSA-N 1 1 459.545 3.265 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCn2cccn2)C1 ZINC001305049105 1068108613 /nfs/dbraw/zinc/10/86/13/1068108613.db2.gz IDYUUXDXULNAJC-INIZCTEOSA-N 1 1 461.412 3.101 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001305049473 1068109243 /nfs/dbraw/zinc/10/92/43/1068109243.db2.gz IPZGKFXZGBFQIL-FQEVSTJZSA-N 1 1 478.645 3.214 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@H](C)C2)CC1)C(F)(F)F ZINC001305049561 1068109984 /nfs/dbraw/zinc/10/99/84/1068109984.db2.gz JIXZUAKGBAHPRM-ZWKOTPCHSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303590758 1068111167 /nfs/dbraw/zinc/11/11/67/1068111167.db2.gz DTZXEBDMNPGDHG-MJGOQNOKSA-N 1 1 463.623 3.391 20 0 JGADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305050240 1068111817 /nfs/dbraw/zinc/11/18/17/1068111817.db2.gz VGHSOEFQGMVLOQ-URVUXULASA-N 1 1 489.686 3.075 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001305050443 1068112661 /nfs/dbraw/zinc/11/26/61/1068112661.db2.gz VATQVEYEAJOVSF-CVEARBPZSA-N 1 1 481.428 3.207 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305051119 1068114134 /nfs/dbraw/zinc/11/41/34/1068114134.db2.gz OJZWOZCAWCCWRX-QZTJIDSGSA-N 1 1 458.632 3.028 20 0 JGADMO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303593766 1068114281 /nfs/dbraw/zinc/11/42/81/1068114281.db2.gz MFHYDFOXKNXCHA-HTAPYJJXSA-N 1 1 498.582 3.153 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001305051232 1068114356 /nfs/dbraw/zinc/11/43/56/1068114356.db2.gz ZTECELXFSYRLNY-OGPYBGEISA-N 1 1 466.655 3.370 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303594693 1068114939 /nfs/dbraw/zinc/11/49/39/1068114939.db2.gz PYFQINAZYRCSPC-ZWCUEREDSA-N 1 1 490.599 3.200 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305051550 1068114907 /nfs/dbraw/zinc/11/49/07/1068114907.db2.gz PPGFTOUUNQHJSY-SFHVURJKSA-N 1 1 460.026 3.030 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305051321 1068114949 /nfs/dbraw/zinc/11/49/49/1068114949.db2.gz YWWXXWTUVONSDD-SQJMNOBHSA-N 1 1 463.667 3.304 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001305051614 1068115020 /nfs/dbraw/zinc/11/50/20/1068115020.db2.gz XDAHAIMNOIXDJI-PZJWPPBQSA-N 1 1 477.650 3.468 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305051319 1068115030 /nfs/dbraw/zinc/11/50/30/1068115030.db2.gz YWWXXWTUVONSDD-PXDATVDWSA-N 1 1 463.667 3.304 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305053346 1068117633 /nfs/dbraw/zinc/11/76/33/1068117633.db2.gz YKXAOPMQYJWMBM-QGZVFWFLSA-N 1 1 477.451 3.400 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001305057858 1068119910 /nfs/dbraw/zinc/11/99/10/1068119910.db2.gz DMCPTTKYGYSIIV-OAHLLOKOSA-N 1 1 473.503 3.463 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001305058031 1068120326 /nfs/dbraw/zinc/12/03/26/1068120326.db2.gz DAZNRHFYMYBFBD-MRXNPFEDSA-N 1 1 455.500 3.386 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001305058028 1068120360 /nfs/dbraw/zinc/12/03/60/1068120360.db2.gz DAZNRHFYMYBFBD-INIZCTEOSA-N 1 1 455.500 3.386 20 0 JGADMO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCC[C@H]1C ZINC001305058204 1068120365 /nfs/dbraw/zinc/12/03/65/1068120365.db2.gz FXUATVWSFQSQNA-RTWAWAEBSA-N 1 1 461.614 3.480 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)C1 ZINC001305058305 1068121278 /nfs/dbraw/zinc/12/12/78/1068121278.db2.gz HHVWMQIACSWSTJ-HNNXBMFYSA-N 1 1 451.413 3.146 20 0 JGADMO C[C@H]([C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCC[C@H]1C)S(C)(=O)=O ZINC001305058585 1068121299 /nfs/dbraw/zinc/12/12/99/1068121299.db2.gz IRXZHOWWILLPAI-OWCLPIDISA-N 1 1 472.030 3.480 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cscn1 ZINC001305058827 1068121514 /nfs/dbraw/zinc/12/15/14/1068121514.db2.gz JNLRXZNGFNWKNI-HKUYNNGSSA-N 1 1 491.662 3.164 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001305059407 1068122820 /nfs/dbraw/zinc/12/28/20/1068122820.db2.gz MFWOQNNHVLMDJX-KRWDZBQOSA-N 1 1 475.435 3.397 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305059405 1068122871 /nfs/dbraw/zinc/12/28/71/1068122871.db2.gz MFNGLUBZIPYHPW-VQTJNVASSA-N 1 1 471.650 3.461 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305058972 1068122998 /nfs/dbraw/zinc/12/29/98/1068122998.db2.gz KGGOJDZAPWUMED-VQIMIIECSA-N 1 1 452.024 3.096 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001305059677 1068123699 /nfs/dbraw/zinc/12/36/99/1068123699.db2.gz NNPYTGRJMIZKSF-SJORKVTESA-N 1 1 475.435 3.284 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cccs1 ZINC001305059736 1068123726 /nfs/dbraw/zinc/12/37/26/1068123726.db2.gz OAUYIAQMMVXQKU-SFHVURJKSA-N 1 1 488.683 3.378 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001305060303 1068124587 /nfs/dbraw/zinc/12/45/87/1068124587.db2.gz VOHDIHCBKINEJC-RDJZCZTQSA-N 1 1 470.014 3.093 20 0 JGADMO C[C@@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001305061012 1068126381 /nfs/dbraw/zinc/12/63/81/1068126381.db2.gz XLMRGPGZOFAHHV-GGAORHGYSA-N 1 1 454.663 3.207 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001305061012 1068126387 /nfs/dbraw/zinc/12/63/87/1068126387.db2.gz XLMRGPGZOFAHHV-GGAORHGYSA-N 1 1 454.663 3.207 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305061456 1068127058 /nfs/dbraw/zinc/12/70/58/1068127058.db2.gz HAMJQZVJCFGHRM-VAMGGRTRSA-N 1 1 462.639 3.307 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305061640 1068127073 /nfs/dbraw/zinc/12/70/73/1068127073.db2.gz VCZLGSSCVNPZIW-OALUTQOASA-N 1 1 455.607 3.270 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305061454 1068127173 /nfs/dbraw/zinc/12/71/73/1068127173.db2.gz HAMJQZVJCFGHRM-SLFFLAALSA-N 1 1 462.639 3.307 20 0 JGADMO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCOC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001303600907 1068129026 /nfs/dbraw/zinc/12/90/26/1068129026.db2.gz BUWUHCFWZZTHRF-CEMLEFRQSA-N 1 1 457.619 3.312 20 0 JGADMO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCOC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001303600908 1068129065 /nfs/dbraw/zinc/12/90/65/1068129065.db2.gz BUWUHCFWZZTHRF-FCEUIQTBSA-N 1 1 457.619 3.312 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305062519 1068130022 /nfs/dbraw/zinc/13/00/22/1068130022.db2.gz ZKMIQVXPDHCTCF-MRXNPFEDSA-N 1 1 452.024 3.096 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303602547 1068133216 /nfs/dbraw/zinc/13/32/16/1068133216.db2.gz OKZDHUQOXIKJJG-UKEIPCDJSA-N 1 1 475.659 3.175 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303602547 1068133223 /nfs/dbraw/zinc/13/32/23/1068133223.db2.gz OKZDHUQOXIKJJG-UKEIPCDJSA-N 1 1 475.659 3.175 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305063681 1068133353 /nfs/dbraw/zinc/13/33/53/1068133353.db2.gz YMNLIIFDVYZFAO-UGKGYDQZSA-N 1 1 489.686 3.262 20 0 JGADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)[C@@H]1C ZINC001305070199 1068144697 /nfs/dbraw/zinc/14/46/97/1068144697.db2.gz CHXIJQRYXLONNK-WOIUINJBSA-N 1 1 489.064 3.333 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001305071817 1068145706 /nfs/dbraw/zinc/14/57/06/1068145706.db2.gz ZVMLEJGWIGIREN-QFBILLFUSA-N 1 1 469.055 3.081 20 0 JGADMO C[C@@H](c1ccccc1)N(C)c1nnc(-c2cccnc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303611715 1068146211 /nfs/dbraw/zinc/14/62/11/1068146211.db2.gz TVVCWPGSUAZRIM-REWPJTCUSA-N 1 1 461.614 3.480 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)[C@@H]1C ZINC001305072902 1068146800 /nfs/dbraw/zinc/14/68/00/1068146800.db2.gz VSOTZTUVKIDVRG-JZKQVHKSSA-N 1 1 452.372 3.148 20 0 JGADMO CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001303614534 1068148760 /nfs/dbraw/zinc/14/87/60/1068148760.db2.gz PSZHARBSXIZXAH-DLBZAZTESA-N 1 1 453.484 3.413 20 0 JGADMO C[C@H]1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1(C)C ZINC001305080772 1068153778 /nfs/dbraw/zinc/15/37/78/1068153778.db2.gz ZDHPVAHOIWTRAW-PZJWPPBQSA-N 1 1 455.651 3.099 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001305081505 1068154217 /nfs/dbraw/zinc/15/42/17/1068154217.db2.gz DDRUUGXYSQXZCE-OALUTQOASA-N 1 1 451.619 3.405 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001305084019 1068155909 /nfs/dbraw/zinc/15/59/09/1068155909.db2.gz UAZGKMMVCCJEQS-OALUTQOASA-N 1 1 461.680 3.451 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001305084187 1068155959 /nfs/dbraw/zinc/15/59/59/1068155959.db2.gz UAZGKMMVCCJEQS-RTBURBONSA-N 1 1 461.680 3.451 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001303628081 1068158358 /nfs/dbraw/zinc/15/83/58/1068158358.db2.gz GTKSZRJDHOTHQB-KRWDZBQOSA-N 1 1 465.689 3.345 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCCCCS(C)(=O)=O)CC1 ZINC001303630660 1068162201 /nfs/dbraw/zinc/16/22/01/1068162201.db2.gz SMBXTFZRCDMYGW-LJQANCHMSA-N 1 1 490.699 3.443 20 0 JGADMO C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001305098564 1068165453 /nfs/dbraw/zinc/16/54/53/1068165453.db2.gz ZKACBJWWXMFNAI-UYAOXDASSA-N 1 1 462.639 3.307 20 0 JGADMO C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001305105402 1068173220 /nfs/dbraw/zinc/17/32/20/1068173220.db2.gz FBLAKITYFMCFDA-NQIIRXRSSA-N 1 1 475.037 3.299 20 0 JGADMO CC1CC[NH+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001305106948 1068175180 /nfs/dbraw/zinc/17/51/80/1068175180.db2.gz IRGORHIYIHVUBH-SFHVURJKSA-N 1 1 477.597 3.081 20 0 JGADMO CC1CC[NH+](CCn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)CC(F)(F)F)CC1 ZINC001305110822 1068181801 /nfs/dbraw/zinc/18/18/01/1068181801.db2.gz PUNWQCZPBPYMQN-UHFFFAOYSA-N 1 1 493.622 3.373 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCCc2ccccc2)C[C@H](C)O1 ZINC001305112064 1068185247 /nfs/dbraw/zinc/18/52/47/1068185247.db2.gz JCJWDRHNQKFQEL-SZPZYZBQSA-N 1 1 482.673 3.357 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305112160 1068185303 /nfs/dbraw/zinc/18/53/03/1068185303.db2.gz JMAGCKNFZHFOIZ-VWPQPMDRSA-N 1 1 456.635 3.013 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@H](C)O1 ZINC001305112049 1068185316 /nfs/dbraw/zinc/18/53/16/1068185316.db2.gz DUPHNWIMBMJWOD-OKZBNKHCSA-N 1 1 475.037 3.153 20 0 JGADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C[C@@H](C)O1 ZINC001305112126 1068185339 /nfs/dbraw/zinc/18/53/39/1068185339.db2.gz FTQVXLGAYIYDTJ-KYTVRQNUSA-N 1 1 490.693 3.043 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@H](C)O1 ZINC001305112045 1068185404 /nfs/dbraw/zinc/18/54/04/1068185404.db2.gz DUPHNWIMBMJWOD-KURKYZTESA-N 1 1 475.037 3.153 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305112449 1068186628 /nfs/dbraw/zinc/18/66/28/1068186628.db2.gz HTCBJVZZXBLICD-KDURUIRLSA-N 1 1 461.680 3.068 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001303654440 1068186729 /nfs/dbraw/zinc/18/67/29/1068186729.db2.gz VINWVWXSLYEYQU-URXFXBBRSA-N 1 1 475.641 3.266 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@H](C)O1 ZINC001305112731 1068187942 /nfs/dbraw/zinc/18/79/42/1068187942.db2.gz OZWOVQBXQYYRBF-ZCNNSNEGSA-N 1 1 463.667 3.454 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305115128 1068193303 /nfs/dbraw/zinc/19/33/03/1068193303.db2.gz WSAQHMWYGXERBB-OTWHNJEPSA-N 1 1 464.655 3.393 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CCCCCO)C[C@H](C)O1 ZINC001305115392 1068194030 /nfs/dbraw/zinc/19/40/30/1068194030.db2.gz XXVGNTOXGRACRI-BGYRXZFFSA-N 1 1 487.645 3.203 20 0 JGADMO C[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC001303663734 1068195084 /nfs/dbraw/zinc/19/50/84/1068195084.db2.gz FAYGIWJWYWERAQ-IRLDBZIGSA-N 1 1 468.646 3.218 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001303665854 1068199374 /nfs/dbraw/zinc/19/93/74/1068199374.db2.gz APJMUYXSNXDRDI-RBBKRZOGSA-N 1 1 459.660 3.295 20 0 JGADMO C[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303666738 1068200487 /nfs/dbraw/zinc/20/04/87/1068200487.db2.gz LPHAGLZFORNGNR-SFTDATJTSA-N 1 1 468.646 3.315 20 0 JGADMO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CC(=O)N(C)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303666660 1068200495 /nfs/dbraw/zinc/20/04/95/1068200495.db2.gz DWCOMSWFPKXGLZ-RZUBCFFCSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)Cc2ccccc2)CC(C)(C)O1 ZINC001305121197 1068203516 /nfs/dbraw/zinc/20/35/16/1068203516.db2.gz OFJRVDBFNUUWRH-FQEVSTJZSA-N 1 1 454.619 3.040 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001305121781 1068204611 /nfs/dbraw/zinc/20/46/11/1068204611.db2.gz JIVYCOAQVFTXGY-ICSRJNTNSA-N 1 1 475.037 3.207 20 0 JGADMO C[C@@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC001303672887 1068208939 /nfs/dbraw/zinc/20/89/39/1068208939.db2.gz FQIQMYKNWSZOEP-YCRPNKLZSA-N 1 1 491.459 3.471 20 0 JGADMO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[NH+](C[C@H]3CCCO3)CC2)nnc1C(C)(C)C ZINC001303673638 1068210307 /nfs/dbraw/zinc/21/03/07/1068210307.db2.gz DVVVMXZEQJQIDA-WOJBJXKFSA-N 1 1 478.682 3.380 20 0 JGADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1N1CCOCC1 ZINC001305127274 1068213504 /nfs/dbraw/zinc/21/35/04/1068213504.db2.gz KWTVBIPDPHPOLT-JTHBVZDNSA-N 1 1 454.663 3.255 20 0 JGADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC001305127270 1068213602 /nfs/dbraw/zinc/21/36/02/1068213602.db2.gz KWTVBIPDPHPOLT-GGAORHGYSA-N 1 1 454.663 3.255 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001303682754 1068219452 /nfs/dbraw/zinc/21/94/52/1068219452.db2.gz FYMAEOMJEKYKDC-VAMGGRTRSA-N 1 1 462.664 3.225 20 0 JGADMO C[C@H](CN(C)c1nnc([C@@H]2CCCOC2)n1CC1CCN(CC[NH+](C)C)CC1)c1nccs1 ZINC001303682764 1068219492 /nfs/dbraw/zinc/21/94/92/1068219492.db2.gz GBZJRKBEHIMGOK-TZIWHRDSSA-N 1 1 475.707 3.142 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001305137322 1068228216 /nfs/dbraw/zinc/22/82/16/1068228216.db2.gz LTGHQEQFWLHKFJ-IMWIBFENSA-N 1 1 461.582 3.282 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC001303691623 1068231574 /nfs/dbraw/zinc/23/15/74/1068231574.db2.gz GIQKGYFUHMTDSN-QZTJIDSGSA-N 1 1 495.093 3.189 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC001303691622 1068231732 /nfs/dbraw/zinc/23/17/32/1068231732.db2.gz GIQKGYFUHMTDSN-MSOLQXFVSA-N 1 1 495.093 3.189 20 0 JGADMO C[C@@H](Cc1cccs1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305139192 1068232874 /nfs/dbraw/zinc/23/28/74/1068232874.db2.gz WEKOMKVKICQAMP-FHWLQOOXSA-N 1 1 494.731 3.139 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCCNC(=O)C1CCC1)[NH+]1CCOCC1 ZINC001303693929 1068236601 /nfs/dbraw/zinc/23/66/01/1068236601.db2.gz LCFSPALURANUDU-SFHVURJKSA-N 1 1 475.037 3.062 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001305141737 1068237278 /nfs/dbraw/zinc/23/72/78/1068237278.db2.gz CZAKLBXVSXKBMJ-GASCZTMLSA-N 1 1 470.437 3.105 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[N@H+]2CCCO)CCCO1 ZINC001305142092 1068238974 /nfs/dbraw/zinc/23/89/74/1068238974.db2.gz GXJLGXQEHDLZIB-HZPDHXFCSA-N 1 1 484.464 3.231 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303695868 1068239043 /nfs/dbraw/zinc/23/90/43/1068239043.db2.gz WRHSKKMANJUAOK-RDJZCZTQSA-N 1 1 488.942 3.262 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303695732 1068239061 /nfs/dbraw/zinc/23/90/61/1068239061.db2.gz JODHAMGCYXGRKX-QWHCGFSZSA-N 1 1 481.826 3.155 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(OC(F)F)c1)[NH+]1CCOCC1 ZINC001303700178 1068243152 /nfs/dbraw/zinc/24/31/52/1068243152.db2.gz BJTFXKIGGUSHLT-QGZVFWFLSA-N 1 1 458.513 3.299 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl)[NH+]1CCOCC1 ZINC001303701045 1068244638 /nfs/dbraw/zinc/24/46/38/1068244638.db2.gz LYKXPVDLHLEXME-GOSISDBHSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303702883 1068246998 /nfs/dbraw/zinc/24/69/98/1068246998.db2.gz GKURIAQUGRMBFB-FXAWDEMLSA-N 1 1 455.607 3.268 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC001305145817 1068246999 /nfs/dbraw/zinc/24/69/99/1068246999.db2.gz JFOVLLYTARXENR-LZJOCLMNSA-N 1 1 493.027 3.294 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303703398 1068247738 /nfs/dbraw/zinc/24/77/38/1068247738.db2.gz PFCSZZVIYCRDFQ-OALUTQOASA-N 1 1 455.651 3.145 20 0 JGADMO CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305146728 1068248132 /nfs/dbraw/zinc/24/81/32/1068248132.db2.gz PPDKBLAAOCIRLW-KRWDZBQOSA-N 1 1 460.026 3.076 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC001303703849 1068248740 /nfs/dbraw/zinc/24/87/40/1068248740.db2.gz CPNVGJLDYCXQDR-INIZCTEOSA-N 1 1 463.508 3.055 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccc(F)cc1 ZINC001303706036 1068249869 /nfs/dbraw/zinc/24/98/69/1068249869.db2.gz RJWPUFYJNDBECG-GOSISDBHSA-N 1 1 456.566 3.427 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccc(F)cc1 ZINC001303706036 1068249876 /nfs/dbraw/zinc/24/98/76/1068249876.db2.gz RJWPUFYJNDBECG-GOSISDBHSA-N 1 1 456.566 3.427 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303708393 1068254651 /nfs/dbraw/zinc/25/46/51/1068254651.db2.gz PDUPFEFRLREVSG-SIKLNZKXSA-N 1 1 494.644 3.303 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC001305150749 1068256396 /nfs/dbraw/zinc/25/63/96/1068256396.db2.gz BCGLYBQEDYHEFQ-YJBOKZPZSA-N 1 1 473.927 3.477 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152696 1068259297 /nfs/dbraw/zinc/25/92/97/1068259297.db2.gz SNKDVBWUJAIZNC-SFHVURJKSA-N 1 1 497.585 3.183 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152696 1068259300 /nfs/dbraw/zinc/25/93/00/1068259300.db2.gz SNKDVBWUJAIZNC-SFHVURJKSA-N 1 1 497.585 3.183 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152696 1068259306 /nfs/dbraw/zinc/25/93/06/1068259306.db2.gz SNKDVBWUJAIZNC-SFHVURJKSA-N 1 1 497.585 3.183 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303715170 1068261975 /nfs/dbraw/zinc/26/19/75/1068261975.db2.gz AWBGHHAOTQYUMS-OFNKIYASSA-N 1 1 468.646 3.175 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303715127 1068261995 /nfs/dbraw/zinc/26/19/95/1068261995.db2.gz AJHDUIKGUMEGAJ-VAMGGRTRSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)N(C)c1ccccc1 ZINC001303716907 1068264524 /nfs/dbraw/zinc/26/45/24/1068264524.db2.gz HWVLRBKCGHTYRC-VXKWHMMOSA-N 1 1 470.662 3.244 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)N(C)c1ccccc1 ZINC001303716907 1068264532 /nfs/dbraw/zinc/26/45/32/1068264532.db2.gz HWVLRBKCGHTYRC-VXKWHMMOSA-N 1 1 470.662 3.244 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305156695 1068265344 /nfs/dbraw/zinc/26/53/44/1068265344.db2.gz HVMQDLAMWNJCTP-KRWDZBQOSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303717287 1068265581 /nfs/dbraw/zinc/26/55/81/1068265581.db2.gz LXSRXDYSFHYOOE-QRVBRYPASA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303717286 1068265804 /nfs/dbraw/zinc/26/58/04/1068265804.db2.gz LXSRXDYSFHYOOE-GUDVDZBRSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)N(C)c1ccccc1 ZINC001303718095 1068266240 /nfs/dbraw/zinc/26/62/40/1068266240.db2.gz OKQFAYRWCQPTRO-XZOQPEGZSA-N 1 1 484.689 3.492 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001305159914 1068268781 /nfs/dbraw/zinc/26/87/81/1068268781.db2.gz GSQJLLBOVCQERK-MOPGFXCFSA-N 1 1 459.639 3.363 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305163970 1068272937 /nfs/dbraw/zinc/27/29/37/1068272937.db2.gz CFOOREBBZFJOGG-IBGZPJMESA-N 1 1 484.649 3.303 20 0 JGADMO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCSC1)[N@@H+](C)C1CC1 ZINC001303723209 1068273349 /nfs/dbraw/zinc/27/33/49/1068273349.db2.gz RRWNWUBYZLYRRY-BHIYHBOVSA-N 1 1 480.679 3.011 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303725925 1068278052 /nfs/dbraw/zinc/27/80/52/1068278052.db2.gz YVFUPUHBRLFOAC-UQBPGWFLSA-N 1 1 478.682 3.423 20 0 JGADMO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303726392 1068278674 /nfs/dbraw/zinc/27/86/74/1068278674.db2.gz CHANMQFWDTYQTM-GOSISDBHSA-N 1 1 456.610 3.185 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001305168401 1068279435 /nfs/dbraw/zinc/27/94/35/1068279435.db2.gz BELUJTGTLCEHQN-QGZVFWFLSA-N 1 1 458.573 3.119 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001305168838 1068279978 /nfs/dbraw/zinc/27/99/78/1068279978.db2.gz BYMTWQGFFWAOLE-IEBWSBKVSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001305168838 1068279989 /nfs/dbraw/zinc/27/99/89/1068279989.db2.gz BYMTWQGFFWAOLE-IEBWSBKVSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC001303727629 1068281792 /nfs/dbraw/zinc/28/17/92/1068281792.db2.gz MVIJAVWDZASALC-HXUWFJFHSA-N 1 1 488.702 3.001 20 0 JGADMO C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303735024 1068291874 /nfs/dbraw/zinc/29/18/74/1068291874.db2.gz UNHFTPCNIDXAGH-FQEVSTJZSA-N 1 1 452.647 3.241 20 0 JGADMO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)s1)[N@@H+](C)C1CC1 ZINC001303736670 1068295250 /nfs/dbraw/zinc/29/52/50/1068295250.db2.gz NCKLUMNANNVOPS-CQSZACIVSA-N 1 1 481.464 3.344 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCCO1 ZINC001305180365 1068296331 /nfs/dbraw/zinc/29/63/31/1068296331.db2.gz REEYTBNOICKOMJ-NHCUHLMSSA-N 1 1 494.681 3.372 20 0 JGADMO C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCCO1 ZINC001305180364 1068296347 /nfs/dbraw/zinc/29/63/47/1068296347.db2.gz REEYTBNOICKOMJ-LEWJYISDSA-N 1 1 494.681 3.372 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)CCN1CC(F)(F)F ZINC001305182687 1068299569 /nfs/dbraw/zinc/29/95/69/1068299569.db2.gz LLBPAOWXRMFJEH-CTNGQTDRSA-N 1 1 480.579 3.377 20 0 JGADMO C[C@@H](Cn1c(N2CC[NH+](C[C@H]3CCCO3)CC2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001303743543 1068303045 /nfs/dbraw/zinc/30/30/45/1068303045.db2.gz NYUYGWNMKLGFAM-RBUKOAKNSA-N 1 1 464.655 3.132 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001305185111 1068303272 /nfs/dbraw/zinc/30/32/72/1068303272.db2.gz YMGIEHQURKYHJE-MOPGFXCFSA-N 1 1 462.639 3.102 20 0 JGADMO C[C@H](Cn1c(N2CC[NH+](C[C@H]3CCCO3)CC2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001303743544 1068303274 /nfs/dbraw/zinc/30/32/74/1068303274.db2.gz NYUYGWNMKLGFAM-RTBURBONSA-N 1 1 464.655 3.132 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303744970 1068305460 /nfs/dbraw/zinc/30/54/60/1068305460.db2.gz VRCBGYKNKJEANE-JDCWHPJTSA-N 1 1 482.673 3.344 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303744974 1068305519 /nfs/dbraw/zinc/30/55/19/1068305519.db2.gz VRCBGYKNKJEANE-OMXLDXBASA-N 1 1 482.673 3.344 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303747614 1068309430 /nfs/dbraw/zinc/30/94/30/1068309430.db2.gz ZFCQOHHEUKCQDS-JMJGKCIBSA-N 1 1 482.673 3.419 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305193475 1068317187 /nfs/dbraw/zinc/31/71/87/1068317187.db2.gz VHGLQFWGNWVGAQ-LPHOPBHVSA-N 1 1 452.525 3.294 20 0 JGADMO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C[NH+]1CCOCC1 ZINC001303756635 1068320519 /nfs/dbraw/zinc/32/05/19/1068320519.db2.gz UNKYOYHVTVAKTD-YXTQBTIXSA-N 1 1 478.037 3.247 20 0 JGADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCOCC1 ZINC001303758580 1068321574 /nfs/dbraw/zinc/32/15/74/1068321574.db2.gz CVDAATGPOMGJHN-IRXDYDNUSA-N 1 1 451.587 3.057 20 0 JGADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303758782 1068322367 /nfs/dbraw/zinc/32/23/67/1068322367.db2.gz IDDDHXSMBVAPFD-PGRDOPGGSA-N 1 1 477.600 3.367 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305198664 1068323853 /nfs/dbraw/zinc/32/38/53/1068323853.db2.gz SFAXZIHHSWKSBF-SFHVURJKSA-N 1 1 465.568 3.069 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC001303759573 1068324818 /nfs/dbraw/zinc/32/48/18/1068324818.db2.gz SLNMTHPYKOADPZ-GXRSIYKFSA-N 1 1 490.693 3.453 20 0 JGADMO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303760069 1068325344 /nfs/dbraw/zinc/32/53/44/1068325344.db2.gz ASIXQXMEOPYIFZ-OALUTQOASA-N 1 1 474.675 3.110 20 0 JGADMO C[C@@H]1CN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)CCS1 ZINC001305203028 1068326731 /nfs/dbraw/zinc/32/67/31/1068326731.db2.gz DLAIAIPBOOXEPW-JOCHJYFZSA-N 1 1 485.746 3.172 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1)C[NH+]1CCOCC1 ZINC001303761363 1068328936 /nfs/dbraw/zinc/32/89/36/1068328936.db2.gz DWLFSKPDMANQQX-LJQANCHMSA-N 1 1 498.569 3.051 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@@H](C)C1 ZINC001305206833 1068333587 /nfs/dbraw/zinc/33/35/87/1068333587.db2.gz CITSQAFMKBPFSD-MOPGFXCFSA-N 1 1 460.648 3.149 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](C)C1 ZINC001305206835 1068333681 /nfs/dbraw/zinc/33/36/81/1068333681.db2.gz CITSQAFMKBPFSD-RBUKOAKNSA-N 1 1 460.648 3.149 20 0 JGADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCSC(C)(C)C1)C[NH+]1CCOCC1 ZINC001303764972 1068335602 /nfs/dbraw/zinc/33/56/02/1068335602.db2.gz WNYCIJFSKLRVLM-SFHVURJKSA-N 1 1 463.623 3.296 20 0 JGADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCOC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001305208622 1068337280 /nfs/dbraw/zinc/33/72/80/1068337280.db2.gz IVRNGJKZTMDKCM-GOSISDBHSA-N 1 1 474.675 3.395 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC001305212212 1068342629 /nfs/dbraw/zinc/34/26/29/1068342629.db2.gz IFBIPTJXAAQMEB-HXUWFJFHSA-N 1 1 491.080 3.399 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001305213264 1068344619 /nfs/dbraw/zinc/34/46/19/1068344619.db2.gz NKQLCCHSEVXCHX-NFBKMPQASA-N 1 1 491.080 3.398 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC(C)(C)O1 ZINC001305214436 1068347623 /nfs/dbraw/zinc/34/76/23/1068347623.db2.gz FBZGOMMJINGOAI-IBGZPJMESA-N 1 1 474.625 3.026 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305214853 1068348627 /nfs/dbraw/zinc/34/86/27/1068348627.db2.gz LIIJNSTZDCEHAM-FPOVZHCZSA-N 1 1 475.609 3.237 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303772211 1068350313 /nfs/dbraw/zinc/35/03/13/1068350313.db2.gz WSLWIPSAZYDNLL-RDJZCZTQSA-N 1 1 463.007 3.242 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001305215747 1068350931 /nfs/dbraw/zinc/35/09/31/1068350931.db2.gz GWNHHQDLLCYYAP-IMWIBFENSA-N 1 1 461.582 3.109 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305218003 1068354694 /nfs/dbraw/zinc/35/46/94/1068354694.db2.gz UMMDGOQECNNVHU-WJFTUGDTSA-N 1 1 489.583 3.280 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCOC2)CCCO1 ZINC001305219337 1068356496 /nfs/dbraw/zinc/35/64/96/1068356496.db2.gz AWIJEOARBGQMIY-VQTJNVASSA-N 1 1 478.037 3.484 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303779708 1068357208 /nfs/dbraw/zinc/35/72/08/1068357208.db2.gz UOOUEORNPVECQF-SIKLNZKXSA-N 1 1 459.660 3.470 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303779708 1068357218 /nfs/dbraw/zinc/35/72/18/1068357218.db2.gz UOOUEORNPVECQF-SIKLNZKXSA-N 1 1 459.660 3.470 20 0 JGADMO C[C@H]1COCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305220019 1068357700 /nfs/dbraw/zinc/35/77/00/1068357700.db2.gz DSJJVZWQNYGFDN-RBUKOAKNSA-N 1 1 464.010 3.237 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)O ZINC001305222047 1068361386 /nfs/dbraw/zinc/36/13/86/1068361386.db2.gz MHRYVPLIVULDQO-HIFRSBDPSA-N 1 1 452.372 3.291 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 ZINC001305222612 1068362777 /nfs/dbraw/zinc/36/27/77/1068362777.db2.gz PNFHDQCLMVTPQH-HDICACEKSA-N 1 1 498.118 3.292 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 ZINC001305222612 1068362780 /nfs/dbraw/zinc/36/27/80/1068362780.db2.gz PNFHDQCLMVTPQH-HDICACEKSA-N 1 1 498.118 3.292 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001305223620 1068364735 /nfs/dbraw/zinc/36/47/35/1068364735.db2.gz URDXEXAVSATMOM-NFBKMPQASA-N 1 1 475.609 3.358 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N3CCN(CC(F)(F)F)[C@H](C)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305223223 1068364859 /nfs/dbraw/zinc/36/48/59/1068364859.db2.gz SFBIAAVVENZZRB-KURKYZTESA-N 1 1 460.589 3.148 20 0 JGADMO CC(C)[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305224198 1068366473 /nfs/dbraw/zinc/36/64/73/1068366473.db2.gz QUAUHUAWXUJTLJ-GFTAFNIFSA-N 1 1 476.666 3.430 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305224599 1068366778 /nfs/dbraw/zinc/36/67/78/1068366778.db2.gz YBOZSJPOXWZRLP-DHIUTWEWSA-N 1 1 454.663 3.093 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305225201 1068368929 /nfs/dbraw/zinc/36/89/29/1068368929.db2.gz UBQNUNBFNRMQDV-OALUTQOASA-N 1 1 455.607 3.270 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001303788058 1068369580 /nfs/dbraw/zinc/36/95/80/1068369580.db2.gz JQTBPZVBMKCYPH-GOSISDBHSA-N 1 1 480.583 3.463 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001303789546 1068373083 /nfs/dbraw/zinc/37/30/83/1068373083.db2.gz VWNZWUAOFOPUAQ-IBGZPJMESA-N 1 1 490.578 3.274 20 0 JGADMO C[C@@H]1COCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305232779 1068378928 /nfs/dbraw/zinc/37/89/28/1068378928.db2.gz SDTKBYCHLYQPOZ-CTNGQTDRSA-N 1 1 492.665 3.076 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303794456 1068379602 /nfs/dbraw/zinc/37/96/02/1068379602.db2.gz BPJJMMILPUPDKR-HBMCJLEFSA-N 1 1 474.650 3.174 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCOC(C)(C)C ZINC001305233262 1068379732 /nfs/dbraw/zinc/37/97/32/1068379732.db2.gz BGODYANATPOFGU-FQEVSTJZSA-N 1 1 467.618 3.103 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCOC(C)(C)C ZINC001305233262 1068379742 /nfs/dbraw/zinc/37/97/42/1068379742.db2.gz BGODYANATPOFGU-FQEVSTJZSA-N 1 1 467.618 3.103 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001305233812 1068381331 /nfs/dbraw/zinc/38/13/31/1068381331.db2.gz FXTFXGHNCTVYLA-QGZVFWFLSA-N 1 1 473.419 3.435 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001305233812 1068381349 /nfs/dbraw/zinc/38/13/49/1068381349.db2.gz FXTFXGHNCTVYLA-QGZVFWFLSA-N 1 1 473.419 3.435 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001305234168 1068382270 /nfs/dbraw/zinc/38/22/70/1068382270.db2.gz LOATUEKYTJLTAV-SFHVURJKSA-N 1 1 458.994 3.173 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001305234168 1068382289 /nfs/dbraw/zinc/38/22/89/1068382289.db2.gz LOATUEKYTJLTAV-SFHVURJKSA-N 1 1 458.994 3.173 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001305234235 1068382718 /nfs/dbraw/zinc/38/27/18/1068382718.db2.gz MRPXXMUBPDKXFM-IBGZPJMESA-N 1 1 476.616 3.350 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001305234235 1068382732 /nfs/dbraw/zinc/38/27/32/1068382732.db2.gz MRPXXMUBPDKXFM-IBGZPJMESA-N 1 1 476.616 3.350 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Cl)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001305234374 1068383091 /nfs/dbraw/zinc/38/30/91/1068383091.db2.gz PDRYYJRLEUJJLX-SFHVURJKSA-N 1 1 475.037 3.062 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccc2Cl)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001305234374 1068383105 /nfs/dbraw/zinc/38/31/05/1068383105.db2.gz PDRYYJRLEUJJLX-SFHVURJKSA-N 1 1 475.037 3.062 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001303795480 1068383522 /nfs/dbraw/zinc/38/35/22/1068383522.db2.gz GFUULCTXKZYPPL-QUCCMNQESA-N 1 1 476.666 3.396 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001303795480 1068383539 /nfs/dbraw/zinc/38/35/39/1068383539.db2.gz GFUULCTXKZYPPL-QUCCMNQESA-N 1 1 476.666 3.396 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001303795482 1068383577 /nfs/dbraw/zinc/38/35/77/1068383577.db2.gz GFUULCTXKZYPPL-UYAOXDASSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001303795482 1068383593 /nfs/dbraw/zinc/38/35/93/1068383593.db2.gz GFUULCTXKZYPPL-UYAOXDASSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl ZINC001305234790 1068384704 /nfs/dbraw/zinc/38/47/04/1068384704.db2.gz XGRCWSXWBRABFP-SFHVURJKSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl ZINC001305234790 1068384718 /nfs/dbraw/zinc/38/47/18/1068384718.db2.gz XGRCWSXWBRABFP-SFHVURJKSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 ZINC001305234892 1068384810 /nfs/dbraw/zinc/38/48/10/1068384810.db2.gz YOIBWAXCENPYEJ-CQSZACIVSA-N 1 1 452.372 3.414 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 ZINC001305234892 1068384829 /nfs/dbraw/zinc/38/48/29/1068384829.db2.gz YOIBWAXCENPYEJ-CQSZACIVSA-N 1 1 452.372 3.414 20 0 JGADMO C[C@H]1COCCN1CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305235021 1068385339 /nfs/dbraw/zinc/38/53/39/1068385339.db2.gz ZOMVGQLGUJUQFR-FQEVSTJZSA-N 1 1 491.080 3.114 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(CCOc2ccccc2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305237224 1068386740 /nfs/dbraw/zinc/38/67/40/1068386740.db2.gz DEVJTYGGIACUQP-OAQYLSRUSA-N 1 1 472.703 3.115 20 0 JGADMO C[C@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)CCOC1(C)C ZINC001305240076 1068389771 /nfs/dbraw/zinc/38/97/71/1068389771.db2.gz MLSFXBOQCPPELR-GOSISDBHSA-N 1 1 475.659 3.227 20 0 JGADMO C[C@H]1N(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)CCOC1(C)C ZINC001305240552 1068390302 /nfs/dbraw/zinc/39/03/02/1068390302.db2.gz PNYIJUUKTVFAPV-HXUWFJFHSA-N 1 1 477.613 3.451 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303799080 1068391812 /nfs/dbraw/zinc/39/18/12/1068391812.db2.gz RXRZKJUHLRDEJE-LEWJYISDSA-N 1 1 481.645 3.265 20 0 JGADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001303805500 1068408952 /nfs/dbraw/zinc/40/89/52/1068408952.db2.gz DMPWJOYRBNVULK-RTBURBONSA-N 1 1 474.675 3.104 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(C)CCC1 ZINC001303805901 1068410216 /nfs/dbraw/zinc/41/02/16/1068410216.db2.gz GHJFRVGNOOGHEC-PZJWPPBQSA-N 1 1 474.675 3.179 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303807617 1068413355 /nfs/dbraw/zinc/41/33/55/1068413355.db2.gz BCQMJAOYCCPSJG-PMACEKPBSA-N 1 1 499.685 3.337 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303808202 1068414266 /nfs/dbraw/zinc/41/42/66/1068414266.db2.gz CQFRALBEUOYIGF-GDBMZVCRSA-N 1 1 496.012 3.091 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCOCC1 ZINC001305256803 1068420646 /nfs/dbraw/zinc/42/06/46/1068420646.db2.gz SAGGYMCWQDVPNK-CABCVRRESA-N 1 1 469.453 3.088 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303812490 1068423123 /nfs/dbraw/zinc/42/31/23/1068423123.db2.gz ZDUFGBVGXSYFMK-QFBILLFUSA-N 1 1 483.082 3.299 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001305258954 1068424976 /nfs/dbraw/zinc/42/49/76/1068424976.db2.gz YDRCIBFBRHHSGC-OAGGEKHMSA-N 1 1 483.480 3.097 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccs2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001303815696 1068428278 /nfs/dbraw/zinc/42/82/78/1068428278.db2.gz QQDIPNNUSFUONK-PKOBYXMFSA-N 1 1 480.704 3.383 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccs2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001303815693 1068428333 /nfs/dbraw/zinc/42/83/33/1068428333.db2.gz QQDIPNNUSFUONK-HKUYNNGSSA-N 1 1 480.704 3.383 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303818263 1068432139 /nfs/dbraw/zinc/43/21/39/1068432139.db2.gz ATBIIVAAMYLFPT-LAUBAEHRSA-N 1 1 492.665 3.317 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305262258 1068432860 /nfs/dbraw/zinc/43/28/60/1068432860.db2.gz AUTHTJBZIPHJMT-VWNXMTODSA-N 1 1 498.672 3.017 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccccc2)C2CC2)C1 ZINC001303819654 1068434305 /nfs/dbraw/zinc/43/43/05/1068434305.db2.gz FMHJAUBTJMWVNB-FPOVZHCZSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCn2cc[nH+]c2C)C1 ZINC001305266071 1068448120 /nfs/dbraw/zinc/44/81/20/1068448120.db2.gz JECSAPGKKMUDCU-NRFANRHFSA-N 1 1 465.602 3.174 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001305266531 1068450150 /nfs/dbraw/zinc/45/01/50/1068450150.db2.gz LENCYIIQBCJCNW-RBBKRZOGSA-N 1 1 467.662 3.269 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303830941 1068455266 /nfs/dbraw/zinc/45/52/66/1068455266.db2.gz MQPYVZOJQHDPJQ-FLQYYVGBSA-N 1 1 488.702 3.424 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303830948 1068455350 /nfs/dbraw/zinc/45/53/50/1068455350.db2.gz MRXJGYQHEMUZGM-ICSRJNTNSA-N 1 1 492.665 3.143 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3cccc(F)c3)C2)C1 ZINC001303832696 1068459194 /nfs/dbraw/zinc/45/91/94/1068459194.db2.gz YUKXNIHBVAQWMN-ZVDOUQERSA-N 1 1 492.665 3.142 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001305269177 1068460742 /nfs/dbraw/zinc/46/07/42/1068460742.db2.gz TZHFELJGBXPKLK-DNQXCXABSA-N 1 1 482.673 3.359 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CCCS1 ZINC001303835067 1068463350 /nfs/dbraw/zinc/46/33/50/1068463350.db2.gz VOYCTOWFRHROJY-DYXWJJEUSA-N 1 1 498.763 3.265 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001305270067 1068464299 /nfs/dbraw/zinc/46/42/99/1068464299.db2.gz VWYMVNKMARTLTQ-NZQKXSOJSA-N 1 1 461.614 3.356 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001305271807 1068469864 /nfs/dbraw/zinc/46/98/64/1068469864.db2.gz TVDQYGMOVHLFDC-LNRXMEIDSA-N 1 1 460.667 3.035 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303843348 1068473470 /nfs/dbraw/zinc/47/34/70/1068473470.db2.gz WIXTUQRVUUOLHG-RTBURBONSA-N 1 1 466.696 3.169 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001305273482 1068475352 /nfs/dbraw/zinc/47/53/52/1068475352.db2.gz YLJLEGAUOCEZLP-ICSRJNTNSA-N 1 1 475.037 3.347 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305276460 1068477464 /nfs/dbraw/zinc/47/74/64/1068477464.db2.gz IIWPYMXMTFSONX-ADYITMSISA-N 1 1 474.694 3.424 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303844983 1068477999 /nfs/dbraw/zinc/47/79/99/1068477999.db2.gz KTKJNRFMFSYUKK-DFQSSKMNSA-N 1 1 496.628 3.034 20 0 JGADMO CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305279358 1068481467 /nfs/dbraw/zinc/48/14/67/1068481467.db2.gz NIAJYURSQYNERA-CTNGQTDRSA-N 1 1 476.691 3.425 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303847266 1068481718 /nfs/dbraw/zinc/48/17/18/1068481718.db2.gz VAOQKCVWFDMWKB-LEWJYISDSA-N 1 1 486.686 3.447 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303850865 1068486625 /nfs/dbraw/zinc/48/66/25/1068486625.db2.gz ACFICJBRGJVQHF-MJGOQNOKSA-N 1 1 480.704 3.413 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303851236 1068488605 /nfs/dbraw/zinc/48/86/05/1068488605.db2.gz DFHLBJVDBVDCLC-UFYCRDLUSA-N 1 1 478.663 3.477 20 0 JGADMO CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001305289244 1068492010 /nfs/dbraw/zinc/49/20/10/1068492010.db2.gz IKUXHVFSPDZTSP-QVNIBDNGSA-N 1 1 456.635 3.067 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303856369 1068496403 /nfs/dbraw/zinc/49/64/03/1068496403.db2.gz VHLYDLRMMXCIBK-YTQUADARSA-N 1 1 480.704 3.412 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@]3(CC=CCC3)C2)C1 ZINC001303856615 1068496946 /nfs/dbraw/zinc/49/69/46/1068496946.db2.gz YTPNZQWOAHIJMG-HFMPRLQTSA-N 1 1 478.707 3.335 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCc2ccccc21 ZINC001303856641 1068497057 /nfs/dbraw/zinc/49/70/57/1068497057.db2.gz ZCOPRJOBFVAANX-CTNGQTDRSA-N 1 1 488.702 3.319 20 0 JGADMO CC(C)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001303858705 1068499385 /nfs/dbraw/zinc/49/93/85/1068499385.db2.gz VNQRFIVOTBNQOP-HXUWFJFHSA-N 1 1 474.675 3.037 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297903 1068505601 /nfs/dbraw/zinc/50/56/01/1068505601.db2.gz WSJJUVRHFCPUBA-MDOVXXIYSA-N 1 1 486.480 3.476 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297903 1068505608 /nfs/dbraw/zinc/50/56/08/1068505608.db2.gz WSJJUVRHFCPUBA-MDOVXXIYSA-N 1 1 486.480 3.476 20 0 JGADMO C[C@@](O)(C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CC1)C(F)(F)F ZINC001303876229 1068510661 /nfs/dbraw/zinc/51/06/61/1068510661.db2.gz DNFPHIWHSWNKTP-WZONZLPQSA-N 1 1 499.553 3.461 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001305303320 1068512296 /nfs/dbraw/zinc/51/22/96/1068512296.db2.gz VPMYOLPPUJDYAP-HOKHCIIBSA-N 1 1 451.619 3.359 20 0 JGADMO CC[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001305307803 1068516033 /nfs/dbraw/zinc/51/60/33/1068516033.db2.gz BXJRRCFJUWUYMO-DNQXCXABSA-N 1 1 459.660 3.341 20 0 JGADMO C[C@@](O)(C1CCN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1)C(F)(F)F ZINC001303881122 1068519563 /nfs/dbraw/zinc/51/95/63/1068519563.db2.gz VGFJMTNFSZXEDH-WMZHIEFXSA-N 1 1 496.578 3.107 20 0 JGADMO C[C@H](O)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001303889566 1068528257 /nfs/dbraw/zinc/52/82/57/1068528257.db2.gz DOAAPSUWUDJAGH-NZQKXSOJSA-N 1 1 471.646 3.416 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001305317721 1068533729 /nfs/dbraw/zinc/53/37/29/1068533729.db2.gz HXUFSUQUVGAYLZ-GXOBATCFSA-N 1 1 487.645 3.441 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 ZINC001303895784 1068533972 /nfs/dbraw/zinc/53/39/72/1068533972.db2.gz RPJDNSBSSIQQNB-SFHVURJKSA-N 1 1 460.598 3.202 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303896215 1068535332 /nfs/dbraw/zinc/53/53/32/1068535332.db2.gz YPQJREBUTOABOX-ROUUACIJSA-N 1 1 458.582 3.133 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303898295 1068539851 /nfs/dbraw/zinc/53/98/51/1068539851.db2.gz NMGLQEIBWDWRED-AVRDEDQJSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001303899946 1068542739 /nfs/dbraw/zinc/54/27/39/1068542739.db2.gz XJYSCMUCMITEMB-DXIQSLLYSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303899934 1068542831 /nfs/dbraw/zinc/54/28/31/1068542831.db2.gz XHQKYWMBZWFISI-BBTUJRGHSA-N 1 1 472.609 3.379 20 0 JGADMO CC(C)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001303900021 1068543237 /nfs/dbraw/zinc/54/32/37/1068543237.db2.gz XNSSTOASQAQVOI-UGKGYDQZSA-N 1 1 461.582 3.141 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001303900015 1068543261 /nfs/dbraw/zinc/54/32/61/1068543261.db2.gz XNSSTOASQAQVOI-DENIHFKCSA-N 1 1 461.582 3.141 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303903699 1068547637 /nfs/dbraw/zinc/54/76/37/1068547637.db2.gz TYNUOGULLYKMEW-SFHVURJKSA-N 1 1 463.623 3.248 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305326473 1068548609 /nfs/dbraw/zinc/54/86/09/1068548609.db2.gz YOIRAPHVGAROKF-SIBVEZHUSA-N 1 1 487.645 3.060 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305326473 1068548623 /nfs/dbraw/zinc/54/86/23/1068548623.db2.gz YOIRAPHVGAROKF-SIBVEZHUSA-N 1 1 487.645 3.060 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303904290 1068548620 /nfs/dbraw/zinc/54/86/20/1068548620.db2.gz WEUZIAYKRLIXDA-DFBJGRDBSA-N 1 1 485.608 3.383 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1COCCO1 ZINC001303906201 1068551729 /nfs/dbraw/zinc/55/17/29/1068551729.db2.gz DSCSUWQMXSADDO-WEMPKCCASA-N 1 1 494.036 3.032 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1COCCO1 ZINC001303906201 1068551743 /nfs/dbraw/zinc/55/17/43/1068551743.db2.gz DSCSUWQMXSADDO-WEMPKCCASA-N 1 1 494.036 3.032 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001305329525 1068554356 /nfs/dbraw/zinc/55/43/56/1068554356.db2.gz HGCJJJGSVFRBCW-BVZFJXPGSA-N 1 1 467.618 3.312 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCC(=O)N(C)C ZINC001303910011 1068557991 /nfs/dbraw/zinc/55/79/91/1068557991.db2.gz LLSPZZGLGPKLKL-AOIWGVFYSA-N 1 1 461.010 3.223 20 0 JGADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001303910849 1068559106 /nfs/dbraw/zinc/55/91/06/1068559106.db2.gz HWVCAJXVNUIQRX-KURKYZTESA-N 1 1 461.010 3.258 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001305333264 1068563225 /nfs/dbraw/zinc/56/32/25/1068563225.db2.gz DKPIFEJSRZRRPC-LQGLAIQGSA-N 1 1 459.610 3.106 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001305333544 1068563772 /nfs/dbraw/zinc/56/37/72/1068563772.db2.gz JFEMFXOTGKLYRD-QHWMMSMNSA-N 1 1 484.689 3.179 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303914090 1068564028 /nfs/dbraw/zinc/56/40/28/1068564028.db2.gz FAPSEKPULYYDDW-IQOKHDRSSA-N 1 1 478.037 3.389 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305335420 1068566565 /nfs/dbraw/zinc/56/65/65/1068566565.db2.gz WGFPXWNZBMDPCT-GGISIDAXSA-N 1 1 468.646 3.127 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305335673 1068566955 /nfs/dbraw/zinc/56/69/55/1068566955.db2.gz RFYNYWXGAAVNEQ-MCEYFSPLSA-N 1 1 471.646 3.121 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305336898 1068568939 /nfs/dbraw/zinc/56/89/39/1068568939.db2.gz BZRLPMZGYMPUKU-KYTVRQNUSA-N 1 1 489.636 3.483 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303918182 1068570295 /nfs/dbraw/zinc/57/02/95/1068570295.db2.gz XGJMQNPJSPTHGV-WAIKUNEKSA-N 1 1 474.968 3.309 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001303918406 1068570325 /nfs/dbraw/zinc/57/03/25/1068570325.db2.gz YZRCJZSMZQNSRB-ROUUACIJSA-N 1 1 483.592 3.367 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305339716 1068574733 /nfs/dbraw/zinc/57/47/33/1068574733.db2.gz KIDYYRQKILZOBZ-MSNAGZIKSA-N 1 1 477.694 3.426 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(N2CC[NH+](CCOC)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001305341078 1068576602 /nfs/dbraw/zinc/57/66/02/1068576602.db2.gz NXIUIELUTHJRMK-SQJMNOBHSA-N 1 1 455.647 3.314 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303923647 1068577495 /nfs/dbraw/zinc/57/74/95/1068577495.db2.gz HJELBIBQNWKIIT-HSALFYBXSA-N 1 1 493.649 3.445 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305345708 1068584381 /nfs/dbraw/zinc/58/43/81/1068584381.db2.gz DFCUOIRBCKKJGH-DJPFJPOOSA-N 1 1 464.010 3.189 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305345708 1068584400 /nfs/dbraw/zinc/58/44/00/1068584400.db2.gz DFCUOIRBCKKJGH-DJPFJPOOSA-N 1 1 464.010 3.189 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001305347712 1068588567 /nfs/dbraw/zinc/58/85/67/1068588567.db2.gz NHGZYDGBGVXURC-LBVMUVSTSA-N 1 1 457.619 3.172 20 0 JGADMO CC[C@@H](C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001305350271 1068593531 /nfs/dbraw/zinc/59/35/31/1068593531.db2.gz HFUAIDFRXHGTAI-IYRWYFENSA-N 1 1 481.649 3.049 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305350326 1068593734 /nfs/dbraw/zinc/59/37/34/1068593734.db2.gz BUZQWZLLRBBTSH-CDNPAEQRSA-N 1 1 473.666 3.253 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303938765 1068597588 /nfs/dbraw/zinc/59/75/88/1068597588.db2.gz VTMVALJMPXUHEJ-HBFSDRIKSA-N 1 1 462.589 3.377 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)OC ZINC001305355005 1068602842 /nfs/dbraw/zinc/60/28/42/1068602842.db2.gz XUCIVUVVQMTNJZ-NZQKXSOJSA-N 1 1 485.677 3.105 20 0 JGADMO C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001303947770 1068608966 /nfs/dbraw/zinc/60/89/66/1068608966.db2.gz WTBTWMRATCKFQA-QFIPXVFZSA-N 1 1 481.428 3.064 20 0 JGADMO C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001303947770 1068608969 /nfs/dbraw/zinc/60/89/69/1068608969.db2.gz WTBTWMRATCKFQA-QFIPXVFZSA-N 1 1 481.428 3.064 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001305362642 1068617324 /nfs/dbraw/zinc/61/73/24/1068617324.db2.gz VMHZAIDXPWJVGB-GBESFXJTSA-N 1 1 460.648 3.005 20 0 JGADMO CC[C@@H](C)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCOC)CC1)OC ZINC001305363103 1068618082 /nfs/dbraw/zinc/61/80/82/1068618082.db2.gz RMCBQMWTBANILL-HKBOAZHASA-N 1 1 494.681 3.180 20 0 JGADMO CC[C@@H](C)[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCOC)CC1)OC ZINC001305363105 1068618186 /nfs/dbraw/zinc/61/81/86/1068618186.db2.gz RMCBQMWTBANILL-QHAWAJNXSA-N 1 1 494.681 3.180 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1cccc(N2CCOCC2)c1 ZINC001305376725 1068630457 /nfs/dbraw/zinc/63/04/57/1068630457.db2.gz OAIHNEQBWUCQFH-QFIPXVFZSA-N 1 1 484.689 3.471 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305378899 1068631795 /nfs/dbraw/zinc/63/17/95/1068631795.db2.gz YJGPJABYYKXQFI-MRXNPFEDSA-N 1 1 464.561 3.256 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001305378899 1068631804 /nfs/dbraw/zinc/63/18/04/1068631804.db2.gz YJGPJABYYKXQFI-MRXNPFEDSA-N 1 1 464.561 3.256 20 0 JGADMO CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001305379157 1068631879 /nfs/dbraw/zinc/63/18/79/1068631879.db2.gz WKUUQQAHYMJMTO-IBGZPJMESA-N 1 1 451.619 3.350 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305381115 1068632360 /nfs/dbraw/zinc/63/23/60/1068632360.db2.gz HNEWVXRWKYQLFO-LJQANCHMSA-N 1 1 468.646 3.431 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001305381115 1068632373 /nfs/dbraw/zinc/63/23/73/1068632373.db2.gz HNEWVXRWKYQLFO-LJQANCHMSA-N 1 1 468.646 3.431 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)CC2CCOCC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305390786 1068635572 /nfs/dbraw/zinc/63/55/72/1068635572.db2.gz FZJMDGRNRCZREU-OAQYLSRUSA-N 1 1 455.651 3.262 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC001305398445 1068640883 /nfs/dbraw/zinc/64/08/83/1068640883.db2.gz MANZGWQNGNQJEC-LYGMZBLVSA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC001305398445 1068640888 /nfs/dbraw/zinc/64/08/88/1068640888.db2.gz MANZGWQNGNQJEC-LYGMZBLVSA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001305400888 1068642715 /nfs/dbraw/zinc/64/27/15/1068642715.db2.gz DBKXILJKTDCYQV-LKFPXLSTSA-N 1 1 484.693 3.303 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305400098 1068642790 /nfs/dbraw/zinc/64/27/90/1068642790.db2.gz VUUKDMQZOVLOMA-KRWDZBQOSA-N 1 1 488.624 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305400098 1068642794 /nfs/dbraw/zinc/64/27/94/1068642794.db2.gz VUUKDMQZOVLOMA-KRWDZBQOSA-N 1 1 488.624 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001305400166 1068642861 /nfs/dbraw/zinc/64/28/61/1068642861.db2.gz WHAHUYPDHFYYTN-KRWDZBQOSA-N 1 1 475.041 3.277 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001305400166 1068642865 /nfs/dbraw/zinc/64/28/65/1068642865.db2.gz WHAHUYPDHFYYTN-KRWDZBQOSA-N 1 1 475.041 3.277 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)Cc2cnn(C)c2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305402132 1068643537 /nfs/dbraw/zinc/64/35/37/1068643537.db2.gz FFDWEKPMJZHIKH-WMZHIEFXSA-N 1 1 451.619 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001305407979 1068646932 /nfs/dbraw/zinc/64/69/32/1068646932.db2.gz BHSMOKQTRHSPKL-KEZQHZCBSA-N 1 1 460.667 3.176 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305409995 1068648766 /nfs/dbraw/zinc/64/87/66/1068648766.db2.gz KVWJLNPAWGJZIG-RTOMLYRKSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC1(COC)CCC1 ZINC001305411346 1068650592 /nfs/dbraw/zinc/65/05/92/1068650592.db2.gz KESWARJQFGWCNV-XJUOHMSHSA-N 1 1 474.694 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1cccc(F)c1 ZINC001305412077 1068651272 /nfs/dbraw/zinc/65/12/72/1068651272.db2.gz NRSHRLJMUIVINY-YDHSSHFGSA-N 1 1 456.610 3.162 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(F)c(C)c1 ZINC001305412971 1068651303 /nfs/dbraw/zinc/65/13/03/1068651303.db2.gz RVYVMBOVXWRTJC-LTMIRXACSA-N 1 1 456.610 3.276 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(F)c(C)c1 ZINC001305412972 1068651365 /nfs/dbraw/zinc/65/13/65/1068651365.db2.gz RVYVMBOVXWRTJC-WCAVRKLYSA-N 1 1 456.610 3.276 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)SC ZINC001305413002 1068651993 /nfs/dbraw/zinc/65/19/93/1068651993.db2.gz SKVNRKZKBWDSEE-CMKODMSKSA-N 1 1 450.697 3.312 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1ccc(N(C)C)cc1 ZINC001305413830 1068652574 /nfs/dbraw/zinc/65/25/74/1068652574.db2.gz YWVAZJSELXSQCS-BKSPAHHJSA-N 1 1 481.689 3.089 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305423950 1068658908 /nfs/dbraw/zinc/65/89/08/1068658908.db2.gz BIYCJBPDZMBTQM-HOTGVXAUSA-N 1 1 467.540 3.146 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001305425378 1068661296 /nfs/dbraw/zinc/66/12/96/1068661296.db2.gz IFPCGPKNKBCOLM-CNNODRBYSA-N 1 1 455.603 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001305425378 1068661301 /nfs/dbraw/zinc/66/13/01/1068661301.db2.gz IFPCGPKNKBCOLM-CNNODRBYSA-N 1 1 455.603 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305426114 1068662905 /nfs/dbraw/zinc/66/29/05/1068662905.db2.gz NXJXWQKZRVDFHV-FCHUYYIVSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305429144 1068668039 /nfs/dbraw/zinc/66/80/39/1068668039.db2.gz GISWQUMYRICZTI-HTAPYJJXSA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305429144 1068668043 /nfs/dbraw/zinc/66/80/43/1068668043.db2.gz GISWQUMYRICZTI-HTAPYJJXSA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305429144 1068668046 /nfs/dbraw/zinc/66/80/46/1068668046.db2.gz GISWQUMYRICZTI-HTAPYJJXSA-N 1 1 474.616 3.347 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305431138 1068669239 /nfs/dbraw/zinc/66/92/39/1068669239.db2.gz MTEDPBLJGQGQJD-XMSQKQJNSA-N 1 1 474.616 3.349 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305433086 1068669920 /nfs/dbraw/zinc/66/99/20/1068669920.db2.gz ZVBJFAMPSQTPPN-HRAATJIYSA-N 1 1 482.555 3.014 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCCc1c[nH]nc1C ZINC001305439021 1068674670 /nfs/dbraw/zinc/67/46/70/1068674670.db2.gz KIFOXKGMAQARSC-FQEVSTJZSA-N 1 1 484.693 3.227 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC1(O)CCOCC1 ZINC001305443464 1068678213 /nfs/dbraw/zinc/67/82/13/1068678213.db2.gz JNXKZKXFNUUHFK-PCCBWWKXSA-N 1 1 463.667 3.049 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305446004 1068681031 /nfs/dbraw/zinc/68/10/31/1068681031.db2.gz TYNJIBKKDONENZ-YKSBVNFPSA-N 1 1 498.720 3.464 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305453235 1068690137 /nfs/dbraw/zinc/69/01/37/1068690137.db2.gz FINHXRIRFLWDNI-UXHICEINSA-N 1 1 488.702 3.147 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305453474 1068690728 /nfs/dbraw/zinc/69/07/28/1068690728.db2.gz AYWPGZRGGYKXMT-PXNSSMCTSA-N 1 1 457.623 3.361 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305455920 1068694529 /nfs/dbraw/zinc/69/45/29/1068694529.db2.gz CXJFWAHMTHUAFF-NRFANRHFSA-N 1 1 473.710 3.047 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001305456576 1068697141 /nfs/dbraw/zinc/69/71/41/1068697141.db2.gz GKANPYMVWKKJNU-QZTJIDSGSA-N 1 1 460.696 3.205 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001305456582 1068697331 /nfs/dbraw/zinc/69/73/31/1068697331.db2.gz GKANPYMVWKKJNU-ZWKOTPCHSA-N 1 1 460.696 3.205 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001305457395 1068698507 /nfs/dbraw/zinc/69/85/07/1068698507.db2.gz HDGMIZVYGFIAFP-SWYRRKHMSA-N 1 1 472.653 3.302 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001305459896 1068702149 /nfs/dbraw/zinc/70/21/49/1068702149.db2.gz UNXKQWPSMMOARJ-NRFANRHFSA-N 1 1 481.689 3.128 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](c1ccco1)N(C)C ZINC001305459839 1068702280 /nfs/dbraw/zinc/70/22/80/1068702280.db2.gz SVQRGJJHPLVGLO-BDTNDASRSA-N 1 1 457.667 3.292 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001305464597 1068708064 /nfs/dbraw/zinc/70/80/64/1068708064.db2.gz CDEMGBUALMNRMQ-QKNQBKEWSA-N 1 1 475.659 3.261 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001305464610 1068708296 /nfs/dbraw/zinc/70/82/96/1068708296.db2.gz CNMFDOPKAMEGEG-VLCRHTCISA-N 1 1 459.660 3.326 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001305464611 1068708455 /nfs/dbraw/zinc/70/84/55/1068708455.db2.gz CNMFDOPKAMEGEG-YUXAGFNASA-N 1 1 459.660 3.326 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC=C(Br)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001305471843 1068714177 /nfs/dbraw/zinc/71/41/77/1068714177.db2.gz FOWVXYGCWDKCFO-OXJNMPFZSA-N 1 1 470.481 3.488 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305481964 1068718742 /nfs/dbraw/zinc/71/87/42/1068718742.db2.gz BAABYYJVIJWGSB-ACRUOGEOSA-N 1 1 473.641 3.400 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305487690 1068725674 /nfs/dbraw/zinc/72/56/74/1068725674.db2.gz PZODKYOKHJPVNJ-SLFFLAALSA-N 1 1 460.598 3.220 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305488217 1068726090 /nfs/dbraw/zinc/72/60/90/1068726090.db2.gz RKOPOJIACGEQLN-IPMKNSEASA-N 1 1 460.589 3.365 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(F)c(F)c1 ZINC001305505851 1068741822 /nfs/dbraw/zinc/74/18/22/1068741822.db2.gz PRMKIDRVBLZQOL-SFHVURJKSA-N 1 1 460.573 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(F)c(F)c1 ZINC001305505851 1068741830 /nfs/dbraw/zinc/74/18/30/1068741830.db2.gz PRMKIDRVBLZQOL-SFHVURJKSA-N 1 1 460.573 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@@H+](C)CCOC ZINC001305509755 1068749162 /nfs/dbraw/zinc/74/91/62/1068749162.db2.gz IDIBQUKZXARGOD-KRWDZBQOSA-N 1 1 481.016 3.125 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@@H+](C)CCOC ZINC001305509759 1068749237 /nfs/dbraw/zinc/74/92/37/1068749237.db2.gz IDIBQUKZXARGOD-QGZVFWFLSA-N 1 1 481.016 3.125 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC(=O)NCC(F)(F)F ZINC001305511175 1068750744 /nfs/dbraw/zinc/75/07/44/1068750744.db2.gz RQECTXQDPOGUHO-KRWDZBQOSA-N 1 1 452.525 3.182 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305511718 1068753453 /nfs/dbraw/zinc/75/34/53/1068753453.db2.gz BFLHWVQHCUYDEL-PCCBWWKXSA-N 1 1 475.682 3.017 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305512830 1068754527 /nfs/dbraw/zinc/75/45/27/1068754527.db2.gz VQJAGFGAGPRPIL-QFIPXVFZSA-N 1 1 481.689 3.028 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512675 1068755202 /nfs/dbraw/zinc/75/52/02/1068755202.db2.gz HLDMRHNVOPUGPD-REWPJTCUSA-N 1 1 484.645 3.012 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305513555 1068757776 /nfs/dbraw/zinc/75/77/76/1068757776.db2.gz KSJRDROSNRVEDK-QHAWAJNXSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1Br ZINC001305515038 1068761658 /nfs/dbraw/zinc/76/16/58/1068761658.db2.gz RJFVVESVDOOEAS-YLJYHZDGSA-N 1 1 489.462 3.345 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001305518670 1068768822 /nfs/dbraw/zinc/76/88/22/1068768822.db2.gz MAEDINLDJHWNPZ-NZQKXSOJSA-N 1 1 467.662 3.015 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305519054 1068769188 /nfs/dbraw/zinc/76/91/88/1068769188.db2.gz PDEXHMATOWGQGH-FDFHNCONSA-N 1 1 473.710 3.093 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305523645 1068776457 /nfs/dbraw/zinc/77/64/57/1068776457.db2.gz AMOWEPPUQVBTSC-PCCBWWKXSA-N 1 1 456.635 3.323 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305523704 1068776540 /nfs/dbraw/zinc/77/65/40/1068776540.db2.gz BCFJBNDWKPETQF-NRFANRHFSA-N 1 1 487.668 3.294 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305524418 1068777103 /nfs/dbraw/zinc/77/71/03/1068777103.db2.gz UWXVNYDKKBIQDU-HBMCJLEFSA-N 1 1 475.707 3.488 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305525403 1068778735 /nfs/dbraw/zinc/77/87/35/1068778735.db2.gz WBPCIXMAIXMDOD-FQEVSTJZSA-N 1 1 456.635 3.238 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305529818 1068784810 /nfs/dbraw/zinc/78/48/10/1068784810.db2.gz HAAULSVPAHUTFT-UNMCSNQZSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305530982 1068786306 /nfs/dbraw/zinc/78/63/06/1068786306.db2.gz BOZLBZPKXNGSLJ-LJQANCHMSA-N 1 1 466.609 3.488 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305532730 1068790693 /nfs/dbraw/zinc/79/06/93/1068790693.db2.gz OMYPYATYELAFEF-UXHICEINSA-N 1 1 477.723 3.032 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)n1CCC(=O)NC(C)C ZINC001305536067 1068797223 /nfs/dbraw/zinc/79/72/23/1068797223.db2.gz CJEQUYWILLLLOJ-FQEVSTJZSA-N 1 1 456.635 3.346 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001305536868 1068799486 /nfs/dbraw/zinc/79/94/86/1068799486.db2.gz QSOHXSGDRPHTEQ-QFIPXVFZSA-N 1 1 473.710 3.191 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305537369 1068800632 /nfs/dbraw/zinc/80/06/32/1068800632.db2.gz RFGDFCPYLRSFNC-QHCPKHFHSA-N 1 1 495.716 3.352 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305537365 1068800755 /nfs/dbraw/zinc/80/07/55/1068800755.db2.gz RFGDFCPYLRSFNC-HSZRJFAPSA-N 1 1 495.716 3.352 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CC1(SC)CCOCC1 ZINC001305537681 1068801429 /nfs/dbraw/zinc/80/14/29/1068801429.db2.gz JFRBIXNGWHMFEN-GOSISDBHSA-N 1 1 475.707 3.376 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305540805 1068810241 /nfs/dbraw/zinc/81/02/41/1068810241.db2.gz LMXAPVCBSNWGLM-WMTXJRDZSA-N 1 1 454.663 3.349 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305540805 1068810257 /nfs/dbraw/zinc/81/02/57/1068810257.db2.gz LMXAPVCBSNWGLM-WMTXJRDZSA-N 1 1 454.663 3.349 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001305540681 1068810526 /nfs/dbraw/zinc/81/05/26/1068810526.db2.gz DLOIDEDTYLVJGO-XUVXKRRUSA-N 1 1 464.655 3.348 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCN1CCN(Cc2ccccc2)CC1 ZINC001305540948 1068811302 /nfs/dbraw/zinc/81/13/02/1068811302.db2.gz YBDGBFRTZMICSW-XMMPIXPASA-N 1 1 467.706 3.387 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3OC)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305541627 1068812449 /nfs/dbraw/zinc/81/24/49/1068812449.db2.gz OXYJQUQVNDFABJ-NRFANRHFSA-N 1 1 470.662 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3OC)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305541627 1068812458 /nfs/dbraw/zinc/81/24/58/1068812458.db2.gz OXYJQUQVNDFABJ-NRFANRHFSA-N 1 1 470.662 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)n1Cc1nncn1CC ZINC001305541705 1068813051 /nfs/dbraw/zinc/81/30/51/1068813051.db2.gz ZSHONDKUCCAHBJ-IBGZPJMESA-N 1 1 452.607 3.091 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccc(Br)n1 ZINC001305542646 1068815703 /nfs/dbraw/zinc/81/57/03/1068815703.db2.gz OYVFZXVFDJUHGU-SJLPKXTDSA-N 1 1 463.424 3.298 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)s1 ZINC001305543162 1068817034 /nfs/dbraw/zinc/81/70/34/1068817034.db2.gz HRAQEWGCGOTAGL-FPOVZHCZSA-N 1 1 460.692 3.441 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1ccccc1C1OCCO1 ZINC001305543396 1068817826 /nfs/dbraw/zinc/81/78/26/1068817826.db2.gz JFYFQWRPGVRYHK-FQEVSTJZSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544257 1068820102 /nfs/dbraw/zinc/82/01/02/1068820102.db2.gz GMQUANTYWLMGES-FCHUYYIVSA-N 1 1 476.710 3.372 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1csc(C)c1 ZINC001305544387 1068821094 /nfs/dbraw/zinc/82/10/94/1068821094.db2.gz PLHCQPWIAKFTRS-SIKLNZKXSA-N 1 1 460.692 3.441 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1cccc(OC)c1 ZINC001305544579 1068821620 /nfs/dbraw/zinc/82/16/20/1068821620.db2.gz RAPCHACQMFPIHG-WIOPSUGQSA-N 1 1 484.689 3.274 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544832 1068821669 /nfs/dbraw/zinc/82/16/69/1068821669.db2.gz RTGYTMLYKLVWBH-JWQCQUIFSA-N 1 1 489.753 3.145 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305552286 1068830972 /nfs/dbraw/zinc/83/09/72/1068830972.db2.gz CFTSZQJCPKDGSX-HFMPRLQTSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305554844 1068833366 /nfs/dbraw/zinc/83/33/66/1068833366.db2.gz MADKYWVKTQIFDZ-NZQKXSOJSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305554844 1068833384 /nfs/dbraw/zinc/83/33/84/1068833384.db2.gz MADKYWVKTQIFDZ-NZQKXSOJSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305554844 1068833398 /nfs/dbraw/zinc/83/33/98/1068833398.db2.gz MADKYWVKTQIFDZ-NZQKXSOJSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305568175 1068843408 /nfs/dbraw/zinc/84/34/08/1068843408.db2.gz VRFZKLLMINDWNM-IHPCNDPISA-N 1 1 462.664 3.371 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305570087 1068844254 /nfs/dbraw/zinc/84/42/54/1068844254.db2.gz DIYUTVQEBMHOBG-MBDNFAEBSA-N 1 1 490.693 3.474 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305569978 1068844483 /nfs/dbraw/zinc/84/44/83/1068844483.db2.gz OQJIFUBRTPSWNP-VAMGGRTRSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305570192 1068844503 /nfs/dbraw/zinc/84/45/03/1068844503.db2.gz FMCXRVJVTYXBMD-SLFFLAALSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@H](C)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305574218 1068847076 /nfs/dbraw/zinc/84/70/76/1068847076.db2.gz QTTHDHRXFDSODH-CGTJXYLNSA-N 1 1 464.565 3.255 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305576790 1068849225 /nfs/dbraw/zinc/84/92/25/1068849225.db2.gz HRPCHFYSMFVVRU-UXHICEINSA-N 1 1 477.675 3.332 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305579834 1068851281 /nfs/dbraw/zinc/85/12/81/1068851281.db2.gz WTWADAHHHQKUIC-IPMKNSEASA-N 1 1 457.623 3.296 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CC[NH+](CC)CC1 ZINC001305579027 1068851309 /nfs/dbraw/zinc/85/13/09/1068851309.db2.gz BGKABZNQWSBIFS-HXUWFJFHSA-N 1 1 456.635 3.226 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCOCC1 ZINC001305585227 1068854783 /nfs/dbraw/zinc/85/47/83/1068854783.db2.gz KOZMBLOWIZKUEI-FQEVSTJZSA-N 1 1 481.645 3.441 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305584600 1068854863 /nfs/dbraw/zinc/85/48/63/1068854863.db2.gz IQBOKXBGZRMMDN-KNQAVFIVSA-N 1 1 481.645 3.031 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305587019 1068856202 /nfs/dbraw/zinc/85/62/02/1068856202.db2.gz VHUHTDMRILUWJP-MSOLQXFVSA-N 1 1 453.591 3.045 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001305602564 1068865474 /nfs/dbraw/zinc/86/54/74/1068865474.db2.gz CMJGQOWKXJKJOJ-IRXDYDNUSA-N 1 1 476.638 3.024 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001305603671 1068867855 /nfs/dbraw/zinc/86/78/55/1068867855.db2.gz AJKLTDZMLMWSGT-WIYYLYMNSA-N 1 1 495.093 3.333 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001305603355 1068867940 /nfs/dbraw/zinc/86/79/40/1068867940.db2.gz BNVMGNSLVHDUTF-GOSISDBHSA-N 1 1 467.622 3.045 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001305604035 1068868236 /nfs/dbraw/zinc/86/82/36/1068868236.db2.gz AGAPHBHPMVEXBF-NQIIRXRSSA-N 1 1 458.010 3.431 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001305603833 1068868632 /nfs/dbraw/zinc/86/86/32/1068868632.db2.gz DIEVQZUEJPWXOO-RXVVDRJESA-N 1 1 469.663 3.229 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001305604281 1068869990 /nfs/dbraw/zinc/86/99/90/1068869990.db2.gz CNJQIARDYUWKPA-VBKZILBWSA-N 1 1 481.464 3.358 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001305605284 1068871250 /nfs/dbraw/zinc/87/12/50/1068871250.db2.gz DNPJWTQRISYSEE-PZJWPPBQSA-N 1 1 489.686 3.210 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001305605280 1068871331 /nfs/dbraw/zinc/87/13/31/1068871331.db2.gz DNPJWTQRISYSEE-FPOVZHCZSA-N 1 1 489.686 3.210 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001305604908 1068871424 /nfs/dbraw/zinc/87/14/24/1068871424.db2.gz CLBYREDOXLMFEC-SJLPKXTDSA-N 1 1 492.466 3.357 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001305605164 1068871635 /nfs/dbraw/zinc/87/16/35/1068871635.db2.gz PHTZSYAPWRUQFQ-GHTZIAJQSA-N 1 1 481.576 3.373 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001305605302 1068871658 /nfs/dbraw/zinc/87/16/58/1068871658.db2.gz HVVAWDNHVJTZLW-HXUWFJFHSA-N 1 1 453.635 3.368 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001305606811 1068874242 /nfs/dbraw/zinc/87/42/42/1068874242.db2.gz VXKNMWWUUJTNOY-UNMCSNQZSA-N 1 1 479.633 3.311 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)NC)CC1 ZINC001305607098 1068875268 /nfs/dbraw/zinc/87/52/68/1068875268.db2.gz LZQUJYOZPJOTKC-HNNXBMFYSA-N 1 1 468.433 3.444 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001305607149 1068875313 /nfs/dbraw/zinc/87/53/13/1068875313.db2.gz WINFRTIUWSHJSN-IRLDBZIGSA-N 1 1 481.645 3.079 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001305607378 1068875858 /nfs/dbraw/zinc/87/58/58/1068875858.db2.gz KWCCBOXWYGWZDI-OPAMFIHVSA-N 1 1 475.435 3.154 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001305607376 1068875985 /nfs/dbraw/zinc/87/59/85/1068875985.db2.gz KWCCBOXWYGWZDI-AOMKIAJQSA-N 1 1 475.435 3.154 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001305607468 1068876002 /nfs/dbraw/zinc/87/60/02/1068876002.db2.gz PUHDGGAFIHWVOV-CVEARBPZSA-N 1 1 465.440 3.256 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(Cc3ccccc3C2=O)CC1 ZINC001305607644 1068876536 /nfs/dbraw/zinc/87/65/36/1068876536.db2.gz XUHWGNNWELSJIJ-LJQANCHMSA-N 1 1 466.630 3.172 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccccn2)CC1 ZINC001305607596 1068876611 /nfs/dbraw/zinc/87/66/11/1068876611.db2.gz QRNKADCPGNLRGT-FQEVSTJZSA-N 1 1 479.629 3.414 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001305607631 1068876778 /nfs/dbraw/zinc/87/67/78/1068876778.db2.gz NAXIEVVRYCDJNS-IVZQSRNASA-N 1 1 464.973 3.499 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)C)CC1 ZINC001305608329 1068878926 /nfs/dbraw/zinc/87/89/26/1068878926.db2.gz OVPJYBGCHIRJGD-LJQANCHMSA-N 1 1 477.675 3.473 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC(C(=O)NC)CC1 ZINC001305608452 1068879487 /nfs/dbraw/zinc/87/94/87/1068879487.db2.gz UMVUUDJDXOKSLB-INIZCTEOSA-N 1 1 477.451 3.400 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C)CC1 ZINC001305608817 1068880312 /nfs/dbraw/zinc/88/03/12/1068880312.db2.gz AXUHEJXLHCRRPH-LJQANCHMSA-N 1 1 464.618 3.109 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001305609464 1068881753 /nfs/dbraw/zinc/88/17/53/1068881753.db2.gz DNIUDIMGULNKRG-XLIONFOSSA-N 1 1 466.586 3.141 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305609637 1068882429 /nfs/dbraw/zinc/88/24/29/1068882429.db2.gz WQGQUQJUDKZGRI-QAPCUYQASA-N 1 1 493.450 3.161 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001305610081 1068883876 /nfs/dbraw/zinc/88/38/76/1068883876.db2.gz XYXOFSQXRSMXNK-BWAGFHJFSA-N 1 1 475.659 3.227 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001305611372 1068886220 /nfs/dbraw/zinc/88/62/20/1068886220.db2.gz ZOLRSWSTSGQHLC-FXAWDEMLSA-N 1 1 497.669 3.059 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305611345 1068886270 /nfs/dbraw/zinc/88/62/70/1068886270.db2.gz ZHQBYQGUSVGWSV-SFHVURJKSA-N 1 1 463.648 3.088 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305611308 1068886294 /nfs/dbraw/zinc/88/62/94/1068886294.db2.gz YYJVFIZLCYIUQT-YJBOKZPZSA-N 1 1 463.424 3.153 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001305611908 1068886862 /nfs/dbraw/zinc/88/68/62/1068886862.db2.gz OLSRZAODYJNBHN-UQBPGWFLSA-N 1 1 457.619 3.458 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001305612023 1068887462 /nfs/dbraw/zinc/88/74/62/1068887462.db2.gz BNHXYZPMKLJUKF-GOSISDBHSA-N 1 1 467.618 3.031 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001305614539 1068891411 /nfs/dbraw/zinc/89/14/11/1068891411.db2.gz OWZMEHSRSRCHTG-RTBURBONSA-N 1 1 454.598 3.263 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305614547 1068891464 /nfs/dbraw/zinc/89/14/64/1068891464.db2.gz PANQNSNCNPFDKL-PXNSSMCTSA-N 1 1 451.575 3.045 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001305614754 1068891867 /nfs/dbraw/zinc/89/18/67/1068891867.db2.gz PEIZNMZZMCAYNS-NRFANRHFSA-N 1 1 461.614 3.341 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001305614913 1068892150 /nfs/dbraw/zinc/89/21/50/1068892150.db2.gz MYNRWEDRZJGUCI-AMHTUMDSSA-N 1 1 472.609 3.049 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001305615333 1068892762 /nfs/dbraw/zinc/89/27/62/1068892762.db2.gz PMRASGHQWMCQEK-GMAHTHKFSA-N 1 1 468.646 3.173 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001305615582 1068893393 /nfs/dbraw/zinc/89/33/93/1068893393.db2.gz AXAWPIBXBIXHHQ-YWZLYKJASA-N 1 1 475.544 3.147 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001305616140 1068895217 /nfs/dbraw/zinc/89/52/17/1068895217.db2.gz ZMMSOYGFMBXCMI-RCCFBDPRSA-N 1 1 460.648 3.415 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001305616842 1068896458 /nfs/dbraw/zinc/89/64/58/1068896458.db2.gz IQOVDNNWVWINRN-UNMCSNQZSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001305617056 1068897264 /nfs/dbraw/zinc/89/72/64/1068897264.db2.gz GQCDXLXHFBZKRE-QZTJIDSGSA-N 1 1 461.680 3.057 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001305616952 1068897438 /nfs/dbraw/zinc/89/74/38/1068897438.db2.gz JKPDWUOIUKYCPR-PKOBYXMFSA-N 1 1 463.623 3.219 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001305617437 1068897826 /nfs/dbraw/zinc/89/78/26/1068897826.db2.gz HNOGDVOHMKVCGO-IFMALSPDSA-N 1 1 458.626 3.039 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001305617436 1068898129 /nfs/dbraw/zinc/89/81/29/1068898129.db2.gz HNMVIBQDGJVWQV-REWPJTCUSA-N 1 1 451.619 3.219 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1C ZINC001305617116 1068898223 /nfs/dbraw/zinc/89/82/23/1068898223.db2.gz KPHYXDNTPDSEJX-VGSWGCGISA-N 1 1 453.591 3.199 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001305617806 1068899624 /nfs/dbraw/zinc/89/96/24/1068899624.db2.gz APXKANMDSHSHLI-NQIIRXRSSA-N 1 1 469.590 3.165 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305618786 1068902268 /nfs/dbraw/zinc/90/22/68/1068902268.db2.gz GLXIVMOETMFWCR-FQEVSTJZSA-N 1 1 486.686 3.415 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001305619171 1068902681 /nfs/dbraw/zinc/90/26/81/1068902681.db2.gz FIDQWDWCPLIJSR-FGZHOGPDSA-N 1 1 468.646 3.405 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001305619257 1068902927 /nfs/dbraw/zinc/90/29/27/1068902927.db2.gz FZZCVEMVUXBBIX-CZTSOSIMSA-N 1 1 463.667 3.311 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001305619260 1068903433 /nfs/dbraw/zinc/90/34/33/1068903433.db2.gz FZZCVEMVUXBBIX-JREFGXEFSA-N 1 1 463.667 3.311 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001305619548 1068903626 /nfs/dbraw/zinc/90/36/26/1068903626.db2.gz JWTRAQYZRTUFMJ-ICSRJNTNSA-N 1 1 474.675 3.253 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001305620116 1068904771 /nfs/dbraw/zinc/90/47/71/1068904771.db2.gz PXTJHWQLMXSJAP-YJBOKZPZSA-N 1 1 458.636 3.440 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001305620097 1068904854 /nfs/dbraw/zinc/90/48/54/1068904854.db2.gz LHWMPYIDFRNRNM-NRFANRHFSA-N 1 1 468.646 3.345 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001305620369 1068905667 /nfs/dbraw/zinc/90/56/67/1068905667.db2.gz VJOWRHWDCYKAMA-LLJLJFOGSA-N 1 1 463.573 3.262 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305621032 1068906820 /nfs/dbraw/zinc/90/68/20/1068906820.db2.gz ARHQOJYRHIYGJC-TUFLPTIASA-N 1 1 494.681 3.178 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001305621087 1068906967 /nfs/dbraw/zinc/90/69/67/1068906967.db2.gz VFLRUQHZIQYYCJ-LJQANCHMSA-N 1 1 483.690 3.098 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001305622074 1068909833 /nfs/dbraw/zinc/90/98/33/1068909833.db2.gz YHRFCPHACOVCEU-SCTDSRPQSA-N 1 1 479.551 3.403 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001305622498 1068910995 /nfs/dbraw/zinc/91/09/95/1068910995.db2.gz RNWXMWAFEAISKZ-UYAOXDASSA-N 1 1 472.663 3.213 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001305622496 1068911018 /nfs/dbraw/zinc/91/10/18/1068911018.db2.gz RNWXMWAFEAISKZ-QUCCMNQESA-N 1 1 472.663 3.213 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001305622854 1068911740 /nfs/dbraw/zinc/91/17/40/1068911740.db2.gz ULVUTROSFNDROJ-BWKNWUBXSA-N 1 1 457.619 3.200 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001305622858 1068911832 /nfs/dbraw/zinc/91/18/32/1068911832.db2.gz ULVUTROSFNDROJ-OFVILXPXSA-N 1 1 457.619 3.200 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001305623194 1068913860 /nfs/dbraw/zinc/91/38/60/1068913860.db2.gz SNMSMMHXHLLIFG-ZHHKINOHSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001305623665 1068915041 /nfs/dbraw/zinc/91/50/41/1068915041.db2.gz ZMHMRFQULZUUQN-NRFANRHFSA-N 1 1 480.661 3.205 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCN(C(=O)OC)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001305623767 1068915665 /nfs/dbraw/zinc/91/56/65/1068915665.db2.gz WFORPYKTFACWBP-FQEVSTJZSA-N 1 1 454.619 3.367 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 ZINC001305623720 1068915844 /nfs/dbraw/zinc/91/58/44/1068915844.db2.gz VRWPRSBIRDNDRY-SIKLNZKXSA-N 1 1 483.617 3.474 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001305624243 1068917065 /nfs/dbraw/zinc/91/70/65/1068917065.db2.gz QGNKWBSBBQUSHY-IFMALSPDSA-N 1 1 454.619 3.131 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001305624894 1068918733 /nfs/dbraw/zinc/91/87/33/1068918733.db2.gz UJJQYOYPSHCULS-RBBKRZOGSA-N 1 1 460.667 3.479 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001305628882 1068929812 /nfs/dbraw/zinc/92/98/12/1068929812.db2.gz KWCPGKFQSAVIJZ-IPJJNNNSSA-N 1 1 489.064 3.450 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001305630335 1068934594 /nfs/dbraw/zinc/93/45/94/1068934594.db2.gz BKVMLGDBRBMZDL-SFHVURJKSA-N 1 1 453.616 3.029 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001305633712 1068942322 /nfs/dbraw/zinc/94/23/22/1068942322.db2.gz QPSUUIZAKOUJGJ-LJQANCHMSA-N 1 1 472.634 3.188 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001305643596 1068966194 /nfs/dbraw/zinc/96/61/94/1068966194.db2.gz NISAWCMZZGSQRM-RBBKRZOGSA-N 1 1 468.646 3.051 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001305644687 1068970423 /nfs/dbraw/zinc/97/04/23/1068970423.db2.gz ZTYFFIAQDSZFEF-ACRUOGEOSA-N 1 1 456.635 3.389 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001305644842 1068971077 /nfs/dbraw/zinc/97/10/77/1068971077.db2.gz PMPFTXHZIZKZEP-ILWGZMRPSA-N 1 1 454.619 3.145 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001305645890 1068973677 /nfs/dbraw/zinc/97/36/77/1068973677.db2.gz VOBLPZJQKZEVCV-ONTIZHBOSA-N 1 1 468.646 3.050 20 0 JGADMO CC[C@@H](c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC001305651004 1068988017 /nfs/dbraw/zinc/98/80/17/1068988017.db2.gz RAORROPMWGOLOA-SESVDKBCSA-N 1 1 470.643 3.463 20 0 JGADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001305651044 1068988408 /nfs/dbraw/zinc/98/84/08/1068988408.db2.gz XIZMBAATZCGBDC-BHIFYINESA-N 1 1 487.737 3.339 20 0 JGADMO CC[C@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001305652717 1068991526 /nfs/dbraw/zinc/99/15/26/1068991526.db2.gz DZRSDRCNMQAVAI-ZCYQVOJMSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652717 1068991541 /nfs/dbraw/zinc/99/15/41/1068991541.db2.gz DZRSDRCNMQAVAI-ZCYQVOJMSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652717 1068991555 /nfs/dbraw/zinc/99/15/55/1068991555.db2.gz DZRSDRCNMQAVAI-ZCYQVOJMSA-N 1 1 495.716 3.151 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCCn1cc[nH+]c1C)c1ccccc1 ZINC001305666136 1069008611 /nfs/dbraw/zinc/00/86/11/1069008611.db2.gz LAPYPGQPWIOZHI-NHCUHLMSSA-N 1 1 456.616 3.039 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCCn1cc[nH+]c1C)c1ccccc1 ZINC001305666115 1069008745 /nfs/dbraw/zinc/00/87/45/1069008745.db2.gz LAPYPGQPWIOZHI-LEWJYISDSA-N 1 1 456.616 3.039 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCCn1cc[nH+]c1C)c1ccccc1 ZINC001305666156 1069008786 /nfs/dbraw/zinc/00/87/86/1069008786.db2.gz LAPYPGQPWIOZHI-SFTDATJTSA-N 1 1 456.616 3.039 20 0 JGADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001305670530 1069016456 /nfs/dbraw/zinc/01/64/56/1069016456.db2.gz KTZNGFWJTHQZKY-WIOPSUGQSA-N 1 1 482.673 3.380 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](F)COC)c1ccccc1 ZINC001305672358 1069020229 /nfs/dbraw/zinc/02/02/29/1069020229.db2.gz USTCKRFAEJMZQH-XZOQPEGZSA-N 1 1 469.609 3.250 20 0 JGADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001305672853 1069021711 /nfs/dbraw/zinc/02/17/11/1069021711.db2.gz WJQNNEQLSDTLAT-AREMUKBSSA-N 1 1 495.716 3.152 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001305675677 1069028123 /nfs/dbraw/zinc/02/81/23/1069028123.db2.gz OEZADGAJNIZLEW-NFBKMPQASA-N 1 1 478.645 3.137 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001305675679 1069028323 /nfs/dbraw/zinc/02/83/23/1069028323.db2.gz OEZADGAJNIZLEW-NZQKXSOJSA-N 1 1 478.645 3.137 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1cnn(C)c1C)c1ccccc1 ZINC001305675987 1069029292 /nfs/dbraw/zinc/02/92/92/1069029292.db2.gz FSBADMPTDKLCJG-AUSIDOKSSA-N 1 1 451.619 3.067 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1cnn(C)c1C)c1ccccc1 ZINC001305675991 1069029467 /nfs/dbraw/zinc/02/94/67/1069029467.db2.gz FSBADMPTDKLCJG-WMZHIEFXSA-N 1 1 451.619 3.067 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1Cc1cnn(C)c1)c1ccccc1 ZINC001305677220 1069032649 /nfs/dbraw/zinc/03/26/49/1069032649.db2.gz MHHWJGBVDSFLED-DHIUTWEWSA-N 1 1 451.619 3.149 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1(C(N)=O)CCCC1)c1ccccc1 ZINC001305679391 1069037646 /nfs/dbraw/zinc/03/76/46/1069037646.db2.gz YAJRAJARQANIIS-IRLDBZIGSA-N 1 1 468.646 3.023 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001305679626 1069037667 /nfs/dbraw/zinc/03/76/67/1069037667.db2.gz YQPYASRPIBAMNT-LADGPHEKSA-N 1 1 484.689 3.088 20 0 JGADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)OC ZINC001305698331 1069075708 /nfs/dbraw/zinc/07/57/08/1069075708.db2.gz XONCIXLAUIDNRZ-HXUWFJFHSA-N 1 1 456.635 3.159 20 0 JGADMO CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001305701644 1069083157 /nfs/dbraw/zinc/08/31/57/1069083157.db2.gz HWFLRFXSLLPKTC-YADHBBJMSA-N 1 1 460.667 3.130 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001305705879 1069094603 /nfs/dbraw/zinc/09/46/03/1069094603.db2.gz LQLLLVWNKUATNM-UXHICEINSA-N 1 1 487.674 3.004 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305706397 1069095148 /nfs/dbraw/zinc/09/51/48/1069095148.db2.gz NQBNVEXMFLNOFH-TZIWHRDSSA-N 1 1 469.634 3.299 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](SC)C1)[NH+]1CCOCC1 ZINC001305708479 1069100495 /nfs/dbraw/zinc/10/04/95/1069100495.db2.gz WYZHFTMDKOIZQD-NHCUHLMSSA-N 1 1 480.723 3.275 20 0 JGADMO CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)on1 ZINC001305715867 1069121639 /nfs/dbraw/zinc/12/16/39/1069121639.db2.gz NVMURSJXZVDUEL-UHFFFAOYSA-N 1 1 471.650 3.476 20 0 JGADMO CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)on1 ZINC001305715867 1069121646 /nfs/dbraw/zinc/12/16/46/1069121646.db2.gz NVMURSJXZVDUEL-UHFFFAOYSA-N 1 1 471.650 3.476 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)s2)n1CC[NH+]1CCSCC1 ZINC001305722206 1069133062 /nfs/dbraw/zinc/13/30/62/1069133062.db2.gz IAJMKULEWIZFIQ-UHFFFAOYSA-N 1 1 450.678 3.252 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1CCn1cc[nH+]c1C ZINC001305722814 1069135057 /nfs/dbraw/zinc/13/50/57/1069135057.db2.gz KHHHLHODJXKPFZ-UHFFFAOYSA-N 1 1 478.395 3.394 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001305724222 1069138691 /nfs/dbraw/zinc/13/86/91/1069138691.db2.gz SMTADLFAQRVFHK-DLBZAZTESA-N 1 1 470.647 3.352 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305725110 1069140569 /nfs/dbraw/zinc/14/05/69/1069140569.db2.gz VYJFUONHDMNIBV-IRXDYDNUSA-N 1 1 470.647 3.352 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001305727810 1069146394 /nfs/dbraw/zinc/14/63/94/1069146394.db2.gz WROOAHNMIMIXNF-SFHVURJKSA-N 1 1 477.057 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001305728001 1069147178 /nfs/dbraw/zinc/14/71/78/1069147178.db2.gz CEYJKORWZFRZBP-SIKLNZKXSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCSC1(C)C ZINC001305730201 1069150709 /nfs/dbraw/zinc/15/07/09/1069150709.db2.gz FSNMQRNRKPLMRF-SFHVURJKSA-N 1 1 480.723 3.275 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCSC1(C)C ZINC001305730201 1069150718 /nfs/dbraw/zinc/15/07/18/1069150718.db2.gz FSNMQRNRKPLMRF-SFHVURJKSA-N 1 1 480.723 3.275 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305736048 1069157287 /nfs/dbraw/zinc/15/72/87/1069157287.db2.gz MOARKQQNWCLWJM-FQRUVTKNSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCc1c(C)cccc1C ZINC001305736100 1069157891 /nfs/dbraw/zinc/15/78/91/1069157891.db2.gz NHKBUJHKUQGJGI-URXFXBBRSA-N 1 1 482.673 3.213 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1CC[C@@](C)(CC)O1 ZINC001305737723 1069161488 /nfs/dbraw/zinc/16/14/88/1069161488.db2.gz AIJQUZFZSRGKQK-YRWQMTPXSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@](C)(O)c1ccccc1Cl ZINC001305737950 1069162380 /nfs/dbraw/zinc/16/23/80/1069162380.db2.gz ARMDQAWMRYVRGO-KMEZTADASA-N 1 1 489.064 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305738317 1069163791 /nfs/dbraw/zinc/16/37/91/1069163791.db2.gz CMDIILFYGMZAEL-RTWAWAEBSA-N 1 1 460.667 3.202 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305738318 1069163829 /nfs/dbraw/zinc/16/38/29/1069163829.db2.gz CMDIILFYGMZAEL-SFTDATJTSA-N 1 1 460.667 3.202 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742623 1069177453 /nfs/dbraw/zinc/17/74/53/1069177453.db2.gz WDZIACDHDARORI-SJORKVTESA-N 1 1 460.598 3.311 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305744105 1069182587 /nfs/dbraw/zinc/18/25/87/1069182587.db2.gz ZVJGBMPAASRPGK-IPMKNSEASA-N 1 1 456.635 3.217 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CCCC[NH+]1CCOCC1 ZINC001305746140 1069188067 /nfs/dbraw/zinc/18/80/67/1069188067.db2.gz ZCLTUJFCDDQYLW-RBBKRZOGSA-N 1 1 460.667 3.468 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305749464 1069194443 /nfs/dbraw/zinc/19/44/43/1069194443.db2.gz AVYFVDZGZDPRDW-QGZVFWFLSA-N 1 1 459.664 3.379 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305751713 1069198029 /nfs/dbraw/zinc/19/80/29/1069198029.db2.gz CFPMYGFGLIVYNN-FQEVSTJZSA-N 1 1 484.693 3.350 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCOC1 ZINC001305751627 1069198066 /nfs/dbraw/zinc/19/80/66/1069198066.db2.gz XRXPEPYRRIPWEQ-IRLDBZIGSA-N 1 1 468.646 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305752807 1069200427 /nfs/dbraw/zinc/20/04/27/1069200427.db2.gz KNNSKALMPXDXKX-OAQYLSRUSA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305753220 1069202081 /nfs/dbraw/zinc/20/20/81/1069202081.db2.gz UIVVVYQQTBMQBQ-QHAWAJNXSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305754410 1069204475 /nfs/dbraw/zinc/20/44/75/1069204475.db2.gz DJIOAXHFZFMRKS-FXAWDEMLSA-N 1 1 491.681 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001305754787 1069205742 /nfs/dbraw/zinc/20/57/42/1069205742.db2.gz JHERLKAGOBGZLW-NRFANRHFSA-N 1 1 472.634 3.225 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)c1cccc(C)c1 ZINC001305755989 1069208893 /nfs/dbraw/zinc/20/88/93/1069208893.db2.gz QLBFAQQEWMZTPU-FGZHOGPDSA-N 1 1 482.673 3.467 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CCCC1(C)C ZINC001305756794 1069211864 /nfs/dbraw/zinc/21/18/64/1069211864.db2.gz ZVGJOTKLUDEDJJ-UXHICEINSA-N 1 1 460.667 3.181 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CCCC1(C)C ZINC001305756793 1069211918 /nfs/dbraw/zinc/21/19/18/1069211918.db2.gz ZVGJOTKLUDEDJJ-PMACEKPBSA-N 1 1 460.667 3.181 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(OC3CCCC3)CC2)n1CC[NH+]1CCSCC1 ZINC001305759439 1069221630 /nfs/dbraw/zinc/22/16/30/1069221630.db2.gz RHJDPXWPLMDAHC-UHFFFAOYSA-N 1 1 478.707 3.173 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305761658 1069229014 /nfs/dbraw/zinc/22/90/14/1069229014.db2.gz CFUQOYBARPPAMM-VWPQPMDRSA-N 1 1 460.667 3.060 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CCCn1cc[nH+]c1C ZINC001305763246 1069232091 /nfs/dbraw/zinc/23/20/91/1069232091.db2.gz ZGAFVWNYKJOPGK-UHFFFAOYSA-N 1 1 471.009 3.403 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001305767478 1069239226 /nfs/dbraw/zinc/23/92/26/1069239226.db2.gz FNWBENHIAHBSKK-SFHVURJKSA-N 1 1 472.638 3.146 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305772133 1069250071 /nfs/dbraw/zinc/25/00/71/1069250071.db2.gz OVMOEKPYAKITRC-DHIUTWEWSA-N 1 1 468.646 3.476 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H]1OCCC1(C)C ZINC001305775767 1069258192 /nfs/dbraw/zinc/25/81/92/1069258192.db2.gz FIZADSORNIOEFN-OAQYLSRUSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1Cc1nnc(C)s1 ZINC001305775753 1069258289 /nfs/dbraw/zinc/25/82/89/1069258289.db2.gz DRWMHBZRFUQJSL-UHFFFAOYSA-N 1 1 482.658 3.117 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305776478 1069260436 /nfs/dbraw/zinc/26/04/36/1069260436.db2.gz ULTFBVPFZVAXMK-CNNODRBYSA-N 1 1 470.666 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001305780363 1069270560 /nfs/dbraw/zinc/27/05/60/1069270560.db2.gz CHNNHKZQHPCVIW-HXUWFJFHSA-N 1 1 489.615 3.286 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305783771 1069278351 /nfs/dbraw/zinc/27/83/51/1069278351.db2.gz XPFFJEYFYQRBRI-FQEVSTJZSA-N 1 1 467.662 3.385 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCOc1ncccc1F ZINC001305785066 1069284004 /nfs/dbraw/zinc/28/40/04/1069284004.db2.gz GRVFERLOCFIXCW-GOSISDBHSA-N 1 1 487.624 3.120 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001305785366 1069285853 /nfs/dbraw/zinc/28/58/53/1069285853.db2.gz FDTKKXJWMPDSBZ-ROUUACIJSA-N 1 1 460.598 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCc1ccc(C)c(OC)c1 ZINC001305785924 1069289007 /nfs/dbraw/zinc/28/90/07/1069289007.db2.gz OPGWGRLDDVVRMM-LJQANCHMSA-N 1 1 456.635 3.287 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@@H]1CC=CCC1 ZINC001305786189 1069289570 /nfs/dbraw/zinc/28/95/70/1069289570.db2.gz SQFNXROBBVCUKJ-ZJSXRUAMSA-N 1 1 480.657 3.408 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1sccc1C ZINC001305787277 1069293187 /nfs/dbraw/zinc/29/31/87/1069293187.db2.gz IJCXTEAAWCXIOO-UHFFFAOYSA-N 1 1 498.701 3.287 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001305787642 1069294247 /nfs/dbraw/zinc/29/42/47/1069294247.db2.gz NPQNVCCIKDRNAS-NRFANRHFSA-N 1 1 467.662 3.003 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccccc1COC ZINC001305787773 1069295033 /nfs/dbraw/zinc/29/50/33/1069295033.db2.gz FGCZVZNZHLACOX-JOCHJYFZSA-N 1 1 454.619 3.066 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305787940 1069295678 /nfs/dbraw/zinc/29/56/78/1069295678.db2.gz QJXTZEJWZFPLIW-QPPBQGQZSA-N 1 1 481.689 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+]1CC ZINC001305787940 1069295686 /nfs/dbraw/zinc/29/56/86/1069295686.db2.gz QJXTZEJWZFPLIW-QPPBQGQZSA-N 1 1 481.689 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1ccc(F)cc1C ZINC001305788643 1069297325 /nfs/dbraw/zinc/29/73/25/1069297325.db2.gz XVYIDUTUHACTBD-QHCPKHFHSA-N 1 1 486.636 3.188 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCc1ccc(C)c(OC)c1 ZINC001305788936 1069298037 /nfs/dbraw/zinc/29/80/37/1069298037.db2.gz NKJFBQOUHGHOFK-QFIPXVFZSA-N 1 1 468.646 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCc1ccc(NC(C)=O)cc1 ZINC001305789886 1069300343 /nfs/dbraw/zinc/30/03/43/1069300343.db2.gz SRLIKOQLBBOYQV-HSZRJFAPSA-N 1 1 481.645 3.072 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCCNC(=O)OC(C)(C)C ZINC001305790316 1069301497 /nfs/dbraw/zinc/30/14/97/1069301497.db2.gz VFNIXWZLZVDXJN-HXUWFJFHSA-N 1 1 491.681 3.176 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1CCn1cc[nH+]c1C ZINC001305790897 1069302848 /nfs/dbraw/zinc/30/28/48/1069302848.db2.gz LCRWBOPTGNZIRU-OAQYLSRUSA-N 1 1 487.555 3.258 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1CCn1cc[nH+]c1C ZINC001305790896 1069303083 /nfs/dbraw/zinc/30/30/83/1069303083.db2.gz LCRWBOPTGNZIRU-NRFANRHFSA-N 1 1 487.555 3.258 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001305792093 1069305264 /nfs/dbraw/zinc/30/52/64/1069305264.db2.gz QMKURJYPENQNNZ-YADHBBJMSA-N 1 1 472.609 3.398 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164401516 718857617 /nfs/dbraw/zinc/85/76/17/718857617.db2.gz FZQGGMLHZHSGRE-RLLQIKCJSA-N 1 1 477.609 3.053 20 0 JGADMO CN(C)C(=O)CN1CC[C@]2(C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2c2ccccc2)C1=O ZINC001164633713 719144755 /nfs/dbraw/zinc/14/47/55/719144755.db2.gz SMHDYTVNVARCGI-CJFMBICVSA-N 1 1 455.002 3.376 20 0 JGADMO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)nn1 ZINC001164639719 719265575 /nfs/dbraw/zinc/26/55/75/719265575.db2.gz QUFMSVBATSYTPG-NTKDMRAZSA-N 1 1 473.021 3.153 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nnc(-c4ccc(C)cc4)c4ccccc43)CC2)C1=O ZINC001164642064 719279613 /nfs/dbraw/zinc/27/96/13/719279613.db2.gz WJQLOPMZZOEZGC-UHFFFAOYSA-N 1 1 459.594 3.365 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nnc(-c4ccc(C)cc4)c4ccccc43)CC2)C1=O ZINC001164642064 719279615 /nfs/dbraw/zinc/27/96/15/719279615.db2.gz WJQLOPMZZOEZGC-UHFFFAOYSA-N 1 1 459.594 3.365 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1)OCC ZINC001164650397 719311361 /nfs/dbraw/zinc/31/13/61/719311361.db2.gz XSCTXFKNTDWIJH-UHFFFAOYSA-N 1 1 451.015 3.473 20 0 JGADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12 ZINC001164654122 719319062 /nfs/dbraw/zinc/31/90/62/719319062.db2.gz OXGPPFWWSUNZTE-GEWUYGHSSA-N 1 1 487.604 3.350 20 0 JGADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)nc4Cl)C3)C2)cc[nH+]1 ZINC001164663911 719356707 /nfs/dbraw/zinc/35/67/07/719356707.db2.gz IRTUEXASBHLQKJ-IBGZPJMESA-N 1 1 488.370 3.308 20 0 JGADMO CN(C)c1nccc(N2CCOC[C@]3(CCCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2)n1 ZINC001164665432 719357002 /nfs/dbraw/zinc/35/70/02/719357002.db2.gz XCRAGCZXNYHNIY-RUZDIDTESA-N 1 1 486.064 3.310 20 0 JGADMO C[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc43)C[C@@H]21 ZINC001164674329 719427717 /nfs/dbraw/zinc/42/77/17/719427717.db2.gz WHCDYXKMNUYMSD-PXNSSMCTSA-N 1 1 470.570 3.052 20 0 JGADMO CNC(=O)CO[C@H]1COC2(C1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164676836 719553107 /nfs/dbraw/zinc/55/31/07/719553107.db2.gz GZJMOIIYRLWMJM-GOSISDBHSA-N 1 1 499.681 3.056 20 0 JGADMO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164676837 719554401 /nfs/dbraw/zinc/55/44/01/719554401.db2.gz GZJMOIIYRLWMJM-SFHVURJKSA-N 1 1 499.681 3.056 20 0 JGADMO Cn1ncc2c1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C[C@H]2COc1cccnc1 ZINC001164688000 719596360 /nfs/dbraw/zinc/59/63/60/719596360.db2.gz SKNVEXCOZDVONX-NRFANRHFSA-N 1 1 467.577 3.346 20 0 JGADMO Cn1ncc2c1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C[C@H]2COc1cccnc1 ZINC001164688000 719596374 /nfs/dbraw/zinc/59/63/74/719596374.db2.gz SKNVEXCOZDVONX-NRFANRHFSA-N 1 1 467.577 3.346 20 0 JGADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164685753 719690206 /nfs/dbraw/zinc/69/02/06/719690206.db2.gz LXCXNGUHBJPBHQ-NRFANRHFSA-N 1 1 486.620 3.164 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCCN(c4ncccn4)[C@H]3C2)n1 ZINC001164693969 719800970 /nfs/dbraw/zinc/80/09/70/719800970.db2.gz WDUAGHRVQXPYGE-ZWKOTPCHSA-N 1 1 453.616 3.034 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)nc1 ZINC001164691712 719801118 /nfs/dbraw/zinc/80/11/18/719801118.db2.gz JDMSONDWPNODIN-MOPGFXCFSA-N 1 1 477.638 3.050 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)cc2C1 ZINC001164691673 719813934 /nfs/dbraw/zinc/81/39/34/719813934.db2.gz JOGPOBZKGUBETP-UHFFFAOYSA-N 1 1 456.616 3.391 20 0 JGADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC001164707672 719868790 /nfs/dbraw/zinc/86/87/90/719868790.db2.gz VFPNKQRYYODSNU-HFJWLAOPSA-N 1 1 493.633 3.475 20 0 JGADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(F)F)nc2ccc(Cl)cc21 ZINC001164699248 719876062 /nfs/dbraw/zinc/87/60/62/719876062.db2.gz BEBKKLRCYQZYQA-QKKBWIMNSA-N 1 1 454.905 3.454 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)n1 ZINC001164704360 719884261 /nfs/dbraw/zinc/88/42/61/719884261.db2.gz VYUQRXQFDGOZRV-CEXWTWQISA-N 1 1 495.653 3.277 20 0 JGADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698198 719892861 /nfs/dbraw/zinc/89/28/61/719892861.db2.gz POQJWNKJMUHTGI-UHFFFAOYSA-N 1 1 450.992 3.169 20 0 JGADMO COC(=O)c1c(Cl)cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1OC ZINC001164697082 719897257 /nfs/dbraw/zinc/89/72/57/719897257.db2.gz JLBKKCATUOUETI-UHFFFAOYSA-N 1 1 451.976 3.463 20 0 JGADMO Cc1noc([C@]23COC[C@H]2CN(c2nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c42)C3)n1 ZINC001164799835 720060034 /nfs/dbraw/zinc/06/00/34/720060034.db2.gz CFCGADYSQFOSPJ-UZUQRXQVSA-N 1 1 454.600 3.390 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1Cl ZINC001164809296 720073901 /nfs/dbraw/zinc/07/39/01/720073901.db2.gz JGRBUYSZPNRJIB-FOIQADDNSA-N 1 1 458.937 3.036 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC(=O)N3c2cnn(C)c2)n1 ZINC001164711915 720074684 /nfs/dbraw/zinc/07/46/84/720074684.db2.gz NZMYCIADYHSXGD-QZTJIDSGSA-N 1 1 453.616 3.268 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1Cl ZINC001164809300 720074730 /nfs/dbraw/zinc/07/47/30/720074730.db2.gz JGRBUYSZPNRJIB-YWZLYKJASA-N 1 1 458.937 3.036 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H]3CC(=O)N4c3cnn(C)c3)c2c1C ZINC001164709853 720074889 /nfs/dbraw/zinc/07/48/89/720074889.db2.gz GOSGTVJRCRKTBH-ROUUACIJSA-N 1 1 451.600 3.022 20 0 JGADMO COCc1nn(-c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)c2c1CNC2 ZINC001164709417 720079678 /nfs/dbraw/zinc/07/96/78/720079678.db2.gz DVUYUWINPQLUJY-UHFFFAOYSA-N 1 1 479.968 3.332 20 0 JGADMO O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164709405 720081851 /nfs/dbraw/zinc/08/18/51/720081851.db2.gz DRQIUCYQPLCTOP-BXTSTYNKSA-N 1 1 476.621 3.015 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCC(=O)N4CCCC4)CC[C@H]32)nc1 ZINC001164713301 720086924 /nfs/dbraw/zinc/08/69/24/720086924.db2.gz SIWVNRKYJQFJMN-FCBCXNLDSA-N 1 1 456.631 3.394 20 0 JGADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nc2N1C1CCCC1 ZINC001164810522 720114780 /nfs/dbraw/zinc/11/47/80/720114780.db2.gz JYUCCUYYVWQEBP-IATMXGELSA-N 1 1 468.646 3.141 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n1)C2 ZINC001164808549 720117451 /nfs/dbraw/zinc/11/74/51/720117451.db2.gz FNGIRQPEOWVIQZ-ZBLYBZFDSA-N 1 1 480.657 3.433 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n1)C2 ZINC001164808546 720117803 /nfs/dbraw/zinc/11/78/03/720117803.db2.gz FNGIRQPEOWVIQZ-KDYSTLNUSA-N 1 1 480.657 3.433 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1/C=C\C(=O)OC)CC2 ZINC001164713558 720132136 /nfs/dbraw/zinc/13/21/36/720132136.db2.gz RWTZJKFMZHVESV-YLNCNTMDSA-N 1 1 450.583 3.479 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164711143 720137090 /nfs/dbraw/zinc/13/70/90/720137090.db2.gz FQEOGIGYPUCAAL-QGZVFWFLSA-N 1 1 479.959 3.281 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001164712666 720154660 /nfs/dbraw/zinc/15/46/60/720154660.db2.gz ODYKTRHBADYGHM-LJQANCHMSA-N 1 1 457.022 3.020 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164716334 720156680 /nfs/dbraw/zinc/15/66/80/720156680.db2.gz ZKOFNNUDZKSMTA-UXHICEINSA-N 1 1 474.005 3.200 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164716469 720156781 /nfs/dbraw/zinc/15/67/81/720156781.db2.gz ZKOFNNUDZKSMTA-WOJBJXKFSA-N 1 1 474.005 3.200 20 0 JGADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164715125 720157960 /nfs/dbraw/zinc/15/79/60/720157960.db2.gz STIFOAVDGUQDAA-REWPJTCUSA-N 1 1 479.625 3.047 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001164818042 720158469 /nfs/dbraw/zinc/15/84/69/720158469.db2.gz RIXBDKYHXNYXLP-MZNJEOGPSA-N 1 1 456.591 3.490 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164815699 720168964 /nfs/dbraw/zinc/16/89/64/720168964.db2.gz IWTCCUCYMSJZPD-DCFHFQCYSA-N 1 1 497.709 3.197 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)C2 ZINC001164814270 720175454 /nfs/dbraw/zinc/17/54/54/720175454.db2.gz FKQSNYJWFMGCHD-CUNXSJBXSA-N 1 1 480.632 3.127 20 0 JGADMO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)C2 ZINC001164820148 720183354 /nfs/dbraw/zinc/18/33/54/720183354.db2.gz ZRZYZFQBOAFWOL-YADARESESA-N 1 1 474.602 3.206 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)C2 ZINC001164820148 720183357 /nfs/dbraw/zinc/18/33/57/720183357.db2.gz ZRZYZFQBOAFWOL-YADARESESA-N 1 1 474.602 3.206 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(N(C)Cc3ccc(OC)cc3)n1)C2 ZINC001164819198 720192400 /nfs/dbraw/zinc/19/24/00/720192400.db2.gz WLPVANXCMFGYIA-GJZUVCINSA-N 1 1 451.615 3.306 20 0 JGADMO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cnc1Cl ZINC001164812769 720205994 /nfs/dbraw/zinc/20/59/94/720205994.db2.gz MHPXDTUWPUPJGK-FXAWDEMLSA-N 1 1 478.005 3.258 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CCC2 ZINC001164813382 720214522 /nfs/dbraw/zinc/21/45/22/720214522.db2.gz PAGXNHPBLGTSOK-UHFFFAOYSA-N 1 1 481.979 3.082 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4cc(OCc5ccccc5)ccc4n3)C2)C1 ZINC001164720645 720262505 /nfs/dbraw/zinc/26/25/05/720262505.db2.gz ZMPKWMBHYAHBFC-MUUNZHRXSA-N 1 1 474.605 3.479 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4cc(OCc5ccccc5)ccc4n3)C2)C1 ZINC001164720645 720262511 /nfs/dbraw/zinc/26/25/11/720262511.db2.gz ZMPKWMBHYAHBFC-MUUNZHRXSA-N 1 1 474.605 3.479 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)C2)C1 ZINC001164720759 720267962 /nfs/dbraw/zinc/26/79/62/720267962.db2.gz DCCGYXNWURGXSN-QFIPXVFZSA-N 1 1 467.397 3.215 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)C2)C1 ZINC001164720759 720267968 /nfs/dbraw/zinc/26/79/68/720267968.db2.gz DCCGYXNWURGXSN-QFIPXVFZSA-N 1 1 467.397 3.215 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccc(F)cc5)c43)C2)C1 ZINC001164722294 720283816 /nfs/dbraw/zinc/28/38/16/720283816.db2.gz PKKKJVSXVBNBNK-DEOSSOPVSA-N 1 1 469.586 3.162 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccc(F)cc5)c43)C2)C1 ZINC001164722294 720283831 /nfs/dbraw/zinc/28/38/31/720283831.db2.gz PKKKJVSXVBNBNK-DEOSSOPVSA-N 1 1 469.586 3.162 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)C2)C1 ZINC001164723988 720299526 /nfs/dbraw/zinc/29/95/26/720299526.db2.gz ZBIKXRNIGGZICK-HSZRJFAPSA-N 1 1 476.046 3.012 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)C2)C1 ZINC001164723988 720299535 /nfs/dbraw/zinc/29/95/35/720299535.db2.gz ZBIKXRNIGGZICK-HSZRJFAPSA-N 1 1 476.046 3.012 20 0 JGADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726584 720341798 /nfs/dbraw/zinc/34/17/98/720341798.db2.gz PVPPWOSJXFTFSL-DHIUTWEWSA-N 1 1 474.590 3.225 20 0 JGADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164726585 720342712 /nfs/dbraw/zinc/34/27/12/720342712.db2.gz PVPPWOSJXFTFSL-GOTSBHOMSA-N 1 1 474.590 3.225 20 0 JGADMO Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1S(=O)(=O)c1ccccc1 ZINC001164722595 720352665 /nfs/dbraw/zinc/35/26/65/720352665.db2.gz FMLJACSPBMHTSG-PKTZIBPZSA-N 1 1 474.590 3.225 20 0 JGADMO O=C(c1cccnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731370 720406911 /nfs/dbraw/zinc/40/69/11/720406911.db2.gz ZHJGQGFYUHLLLA-SVBPBHIXSA-N 1 1 482.632 3.288 20 0 JGADMO O=C(c1cccnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731365 720407912 /nfs/dbraw/zinc/40/79/12/720407912.db2.gz ZHJGQGFYUHLLLA-KAYWLYCHSA-N 1 1 482.632 3.288 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)nc1 ZINC001164834837 720479739 /nfs/dbraw/zinc/47/97/39/720479739.db2.gz VTTHOGJYXBIXSP-ILBGXUMGSA-N 1 1 482.673 3.205 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840579 720518777 /nfs/dbraw/zinc/51/87/77/720518777.db2.gz WJRPHCYRHBLHNK-IXDOHACOSA-N 1 1 453.969 3.315 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837136 720519716 /nfs/dbraw/zinc/51/97/16/720519716.db2.gz NVPNOIAREYEYIB-CEXWTWQISA-N 1 1 496.006 3.086 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835531 720557903 /nfs/dbraw/zinc/55/79/03/720557903.db2.gz HTAJRUKXWSSIED-OKZBNKHCSA-N 1 1 480.444 3.194 20 0 JGADMO Cc1cc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc(N3CCOCC3)c2s1 ZINC001164839676 720564750 /nfs/dbraw/zinc/56/47/50/720564750.db2.gz RJVNEWKKMBAGKO-JAXLGGSGSA-N 1 1 481.670 3.411 20 0 JGADMO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC(C)=O ZINC001164835415 720576490 /nfs/dbraw/zinc/57/64/90/720576490.db2.gz HDFFAMBGFNMBQS-ZRCGQRJVSA-N 1 1 492.580 3.055 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC[C@@H]21 ZINC001164843579 720576999 /nfs/dbraw/zinc/57/69/99/720576999.db2.gz YHTZIMVSCNJRFF-VCOUNFBDSA-N 1 1 454.619 3.133 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843577 720577566 /nfs/dbraw/zinc/57/75/66/720577566.db2.gz YHTZIMVSCNJRFF-KAGYGMCKSA-N 1 1 454.619 3.133 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843578 720578019 /nfs/dbraw/zinc/57/80/19/720578019.db2.gz YHTZIMVSCNJRFF-RCZSKKKRSA-N 1 1 454.619 3.133 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)CC[C@@H]21 ZINC001164835243 720607731 /nfs/dbraw/zinc/60/77/31/720607731.db2.gz ATZXMTYFLSNHTA-AFESJLNVSA-N 1 1 486.668 3.378 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835247 720608012 /nfs/dbraw/zinc/60/80/12/720608012.db2.gz ATZXMTYFLSNHTA-AYRHNUGRSA-N 1 1 486.668 3.378 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842240 720626446 /nfs/dbraw/zinc/62/64/46/720626446.db2.gz UVCNLGBSAHJRQO-DMTNHVFBSA-N 1 1 486.668 3.378 20 0 JGADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164742674 720688087 /nfs/dbraw/zinc/68/80/87/720688087.db2.gz WHTRCPRFWJNZNC-VXKWHMMOSA-N 1 1 451.534 3.338 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740375 720726227 /nfs/dbraw/zinc/72/62/27/720726227.db2.gz KJWYFAUNPRHNHZ-IAGOWNOFSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740375 720726234 /nfs/dbraw/zinc/72/62/34/720726234.db2.gz KJWYFAUNPRHNHZ-IAGOWNOFSA-N 1 1 458.900 3.474 20 0 JGADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164737854 720762455 /nfs/dbraw/zinc/76/24/55/720762455.db2.gz DCRYEZOVVLGDNB-MOPGFXCFSA-N 1 1 465.627 3.036 20 0 JGADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741789 720762756 /nfs/dbraw/zinc/76/27/56/720762756.db2.gz MZSTZOUTKRGDLI-YADHBBJMSA-N 1 1 455.566 3.228 20 0 JGADMO c1ncc(O[C@@H]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)cn1 ZINC001164738614 720763363 /nfs/dbraw/zinc/76/33/63/720763363.db2.gz GIVGRAXOVUMQNG-RBUKOAKNSA-N 1 1 491.665 3.298 20 0 JGADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740951 720764418 /nfs/dbraw/zinc/76/44/18/720764418.db2.gz LNOZFBQQOOKLCV-OALUTQOASA-N 1 1 467.643 3.282 20 0 JGADMO c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)cn1 ZINC001164741853 720765059 /nfs/dbraw/zinc/76/50/59/720765059.db2.gz NDETZTPBLYZWCB-RTBURBONSA-N 1 1 491.665 3.298 20 0 JGADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740347 720767709 /nfs/dbraw/zinc/76/77/09/720767709.db2.gz KEHWNFSKLCENKD-IAGOWNOFSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740347 720767723 /nfs/dbraw/zinc/76/77/23/720767723.db2.gz KEHWNFSKLCENKD-IAGOWNOFSA-N 1 1 458.900 3.474 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@H]2COC[C@@H]21)C1CCC1 ZINC001164851823 720803161 /nfs/dbraw/zinc/80/31/61/720803161.db2.gz ZWNQNILIGCAEAA-AQNXPRMDSA-N 1 1 481.666 3.286 20 0 JGADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751943 720803981 /nfs/dbraw/zinc/80/39/81/720803981.db2.gz YHSCPGYXRDICBX-CRAIPNDOSA-N 1 1 454.918 3.063 20 0 JGADMO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164746118 720809351 /nfs/dbraw/zinc/80/93/51/720809351.db2.gz LUQWBGYJMFQGIP-LLGFUMIMSA-N 1 1 453.978 3.263 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164749229 720809914 /nfs/dbraw/zinc/80/99/14/720809914.db2.gz SLSUKMSPCUAROI-CEXWTWQISA-N 1 1 481.626 3.147 20 0 JGADMO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752140 720811453 /nfs/dbraw/zinc/81/14/53/720811453.db2.gz YWGZZKHJOHHNGC-OFQRWUPVSA-N 1 1 458.344 3.299 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164742332 720813720 /nfs/dbraw/zinc/81/37/20/720813720.db2.gz CUBJWBBMWRITPP-WAOWUJCRSA-N 1 1 481.988 3.041 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164742330 720814174 /nfs/dbraw/zinc/81/41/74/720814174.db2.gz CUBJWBBMWRITPP-LVCYWYKZSA-N 1 1 481.988 3.041 20 0 JGADMO Clc1cc(-c2ccncc2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164743794 720815401 /nfs/dbraw/zinc/81/54/01/720815401.db2.gz SKBBLSWFJPDGTB-QKNQBKEWSA-N 1 1 450.978 3.163 20 0 JGADMO O=C(NCCc1ccccc1)[C@]12COC[C@@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164848715 720816681 /nfs/dbraw/zinc/81/66/81/720816681.db2.gz DQRQEIUTXMEVCU-SQJMNOBHSA-N 1 1 455.002 3.143 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164746215 720819337 /nfs/dbraw/zinc/81/93/37/720819337.db2.gz YLQBSWRVPGHVSH-XYJFISCASA-N 1 1 480.947 3.037 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@H]43)c2c1C ZINC001164846526 720821557 /nfs/dbraw/zinc/82/15/57/720821557.db2.gz FHBFXKKACLZVOG-CEXWTWQISA-N 1 1 471.627 3.194 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@H]32)n1 ZINC001164847049 720821765 /nfs/dbraw/zinc/82/17/65/720821765.db2.gz HVRBJOFADCAHQP-QYZOEREBSA-N 1 1 473.643 3.440 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@@H]43)c2c1C ZINC001164846527 720821832 /nfs/dbraw/zinc/82/18/32/720821832.db2.gz FHBFXKKACLZVOG-FHWLQOOXSA-N 1 1 471.627 3.194 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)n1 ZINC001164847046 720821843 /nfs/dbraw/zinc/82/18/43/720821843.db2.gz HVRBJOFADCAHQP-CEXWTWQISA-N 1 1 473.643 3.440 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@H]43)c2c1C ZINC001164846529 720821869 /nfs/dbraw/zinc/82/18/69/720821869.db2.gz FHBFXKKACLZVOG-QYZOEREBSA-N 1 1 471.627 3.194 20 0 JGADMO FC(F)(COc1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742156 720826618 /nfs/dbraw/zinc/82/66/18/720826618.db2.gz QAQMZFPZMFDXIW-JENIJYKNSA-N 1 1 452.937 3.173 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1)OCC ZINC001164742856 720829152 /nfs/dbraw/zinc/82/91/52/720829152.db2.gz RANOILJGTGQEPA-SFHLNBCPSA-N 1 1 490.052 3.043 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746122 720829466 /nfs/dbraw/zinc/82/94/66/720829466.db2.gz XZAZHWYCPZXYQB-LVCYWYKZSA-N 1 1 481.988 3.041 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2cc1OC ZINC001164739666 720829952 /nfs/dbraw/zinc/82/99/52/720829952.db2.gz HZVQOKBQGXCRBS-SQGPQFPESA-N 1 1 484.004 3.271 20 0 JGADMO O=C(Nc1ccccc1)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164745136 720830148 /nfs/dbraw/zinc/83/01/48/720830148.db2.gz WPWBPOKMQRBRDX-QPTUXGOLSA-N 1 1 457.582 3.305 20 0 JGADMO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744087 720830312 /nfs/dbraw/zinc/83/03/12/720830312.db2.gz UEEQQRCKFDDTTB-CBGDNZLLSA-N 1 1 453.978 3.263 20 0 JGADMO Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739995 720833722 /nfs/dbraw/zinc/83/37/22/720833722.db2.gz BKUVDGBRTSXGJC-BHIFYINESA-N 1 1 456.038 3.302 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750294 720833781 /nfs/dbraw/zinc/83/37/81/720833781.db2.gz XAWVAVUNKZDPSS-QWFCFKBJSA-N 1 1 458.994 3.191 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751099 720834247 /nfs/dbraw/zinc/83/42/47/720834247.db2.gz YMTVUADPQXOIQW-KZNAEPCWSA-N 1 1 480.947 3.037 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c(C)c(C)c-2n1 ZINC001164741132 720835314 /nfs/dbraw/zinc/83/53/14/720835314.db2.gz DDHBWHUWRNMAPC-TXTKFYIRSA-N 1 1 477.613 3.327 20 0 JGADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164746581 720836360 /nfs/dbraw/zinc/83/63/60/720836360.db2.gz OTNRTKDGKFZMDG-YVWKXTFCSA-N 1 1 484.967 3.427 20 0 JGADMO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164747376 720839600 /nfs/dbraw/zinc/83/96/00/720839600.db2.gz QJAZIVFNGINXPF-ZRCGQRJVSA-N 1 1 461.570 3.248 20 0 JGADMO CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)n1 ZINC001164747743 720842590 /nfs/dbraw/zinc/84/25/90/720842590.db2.gz ROPSCSDZVZKKIT-NJDAHSKKSA-N 1 1 462.602 3.400 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164750317 720842909 /nfs/dbraw/zinc/84/29/09/720842909.db2.gz XGBAIBQGMSEMMC-YQVWRLOYSA-N 1 1 480.947 3.037 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164750321 720842993 /nfs/dbraw/zinc/84/29/93/720842993.db2.gz XGBAIBQGMSEMMC-ZIFCJYIRSA-N 1 1 480.947 3.037 20 0 JGADMO CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)n1 ZINC001164747755 720843285 /nfs/dbraw/zinc/84/32/85/720843285.db2.gz ROPSCSDZVZKKIT-PCCBWWKXSA-N 1 1 462.602 3.400 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2[nH]cnc21 ZINC001164741585 720844592 /nfs/dbraw/zinc/84/45/92/720844592.db2.gz FJDNIJBRBACKSS-QWFCFKBJSA-N 1 1 493.616 3.276 20 0 JGADMO FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743559 720848421 /nfs/dbraw/zinc/84/84/21/720848421.db2.gz JDWCOWVFUMMUKP-JTDSTZFVSA-N 1 1 463.964 3.135 20 0 JGADMO FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743558 720848592 /nfs/dbraw/zinc/84/85/92/720848592.db2.gz JDWCOWVFUMMUKP-GPMSIDNRSA-N 1 1 463.964 3.135 20 0 JGADMO O=C(NC1CCCC1)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164743032 720848824 /nfs/dbraw/zinc/84/88/24/720848824.db2.gz IGXBCVNMSFYFDE-IEIRFRATSA-N 1 1 484.048 3.378 20 0 JGADMO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751969 720850257 /nfs/dbraw/zinc/85/02/57/720850257.db2.gz ZYHPOTVUYYHCQR-YQQAZPJKSA-N 1 1 462.936 3.127 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164744852 720852974 /nfs/dbraw/zinc/85/29/74/720852974.db2.gz COWRNYMGCDZERS-DCLXLUIPSA-N 1 1 475.597 3.132 20 0 JGADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752523 720855458 /nfs/dbraw/zinc/85/54/58/720855458.db2.gz STBVYJYDYXLUAT-WXFUMESZSA-N 1 1 459.598 3.335 20 0 JGADMO Clc1cc(-c2ccncc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753926 720857801 /nfs/dbraw/zinc/85/78/01/720857801.db2.gz ZDDMXNOUMGPVAW-SVFBPWRDSA-N 1 1 450.978 3.163 20 0 JGADMO Cc1nc([C@H]2COCCN2c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)cs1 ZINC001164753042 720864179 /nfs/dbraw/zinc/86/41/79/720864179.db2.gz VNGFRVMRPKKANV-DYESRHJHSA-N 1 1 473.643 3.223 20 0 JGADMO Cc1nc([C@H]2COCCN2c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)cs1 ZINC001164753042 720864180 /nfs/dbraw/zinc/86/41/80/720864180.db2.gz VNGFRVMRPKKANV-DYESRHJHSA-N 1 1 473.643 3.223 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)c(F)cc3C(=O)NCc3cccs3)CC[C@@H]2C1 ZINC001164854023 720864221 /nfs/dbraw/zinc/86/42/21/720864221.db2.gz IEDJSGQUGOHMEV-DNVCBOLYSA-N 1 1 483.009 3.039 20 0 JGADMO CCOC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753824 720870188 /nfs/dbraw/zinc/87/01/88/720870188.db2.gz QCDAUFJPNOTDKG-OZXSUGGESA-N 1 1 450.583 3.408 20 0 JGADMO CCOC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753826 720870579 /nfs/dbraw/zinc/87/05/79/720870579.db2.gz QCDAUFJPNOTDKG-ZEQKJWHPSA-N 1 1 450.583 3.408 20 0 JGADMO COC(=O)c1cc(F)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751559 720872403 /nfs/dbraw/zinc/87/24/03/720872403.db2.gz LAIHRIYNWWJCIF-CPJSRVTESA-N 1 1 454.546 3.157 20 0 JGADMO Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C(N)=O ZINC001164755210 720872541 /nfs/dbraw/zinc/87/25/41/720872541.db2.gz UZHXZMDEMOGMKA-NLFFAJNJSA-N 1 1 470.017 3.292 20 0 JGADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(CN4CCOCC4)cn2)C3)c1 ZINC001164754884 720873105 /nfs/dbraw/zinc/87/31/05/720873105.db2.gz UKFPGWBZBYDGOM-IAPPQJPRSA-N 1 1 477.653 3.064 20 0 JGADMO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752906 720873359 /nfs/dbraw/zinc/87/33/59/720873359.db2.gz NJNFMFHJHJWNHS-OZXSUGGESA-N 1 1 450.583 3.408 20 0 JGADMO COC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1OC ZINC001164750742 720875547 /nfs/dbraw/zinc/87/55/47/720875547.db2.gz JRBLRBHNFHWXJI-HFZDXXHNSA-N 1 1 466.582 3.027 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164853366 720876023 /nfs/dbraw/zinc/87/60/23/720876023.db2.gz CCHFHNVCCCAWNM-CTNGQTDRSA-N 1 1 485.698 3.339 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164855534 720876365 /nfs/dbraw/zinc/87/63/65/720876365.db2.gz HDDLIGMDMCTABJ-TZIWHRDSSA-N 1 1 485.698 3.339 20 0 JGADMO CCOC(=O)c1cnc(C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748504 720882266 /nfs/dbraw/zinc/88/22/66/720882266.db2.gz FPHBCAXHYUQIAV-NVQXNPDNSA-N 1 1 465.598 3.112 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164863069 720883601 /nfs/dbraw/zinc/88/36/01/720883601.db2.gz SMVAHCHKZPIDBI-YLJYHZDGSA-N 1 1 480.638 3.201 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC[C@H]2C1 ZINC001164859800 720884815 /nfs/dbraw/zinc/88/48/15/720884815.db2.gz MVEJNXCSXHBIFU-WIOPSUGQSA-N 1 1 451.615 3.307 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC[C@H]2C1 ZINC001164859785 720884851 /nfs/dbraw/zinc/88/48/51/720884851.db2.gz MVEJNXCSXHBIFU-DHLKQENFSA-N 1 1 451.615 3.307 20 0 JGADMO COC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164754993 720885372 /nfs/dbraw/zinc/88/53/72/720885372.db2.gz KCINBLBUUCPDCT-ATIYNZHBSA-N 1 1 450.583 3.327 20 0 JGADMO Cn1c(=O)ccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164754428 720891325 /nfs/dbraw/zinc/89/13/25/720891325.db2.gz IUZXVWCTLPGKRR-WNCULLNHSA-N 1 1 459.594 3.084 20 0 JGADMO COC(=O)c1nc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756235 720891934 /nfs/dbraw/zinc/89/19/34/720891934.db2.gz OOKPIQAXYGJDAM-CYFREDJKSA-N 1 1 471.989 3.067 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)n1 ZINC001164860215 720896213 /nfs/dbraw/zinc/89/62/13/720896213.db2.gz UKUGERXCIPXYPK-UHFFFAOYSA-N 1 1 492.653 3.362 20 0 JGADMO COC(OC)c1c(CO)ccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752807 720899905 /nfs/dbraw/zinc/89/99/05/720899905.db2.gz GADCAPUIKYMHDT-KCWPFWIISA-N 1 1 482.625 3.015 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C3)C[C@H](NC(=O)c3ccccc3)CCO4)c2)CC1 ZINC001164863694 720902163 /nfs/dbraw/zinc/90/21/63/720902163.db2.gz YRVJCAGULGTQIX-QFQXNSOFSA-N 1 1 450.583 3.113 20 0 JGADMO CCCNC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164751363 720913212 /nfs/dbraw/zinc/91/32/12/720913212.db2.gz LSROJXOKJLNILM-RPLLCQBOSA-N 1 1 463.626 3.372 20 0 JGADMO O=C(NC1CCCC1)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164754975 720923779 /nfs/dbraw/zinc/92/37/79/720923779.db2.gz XOXOWMZWUZWYMF-QDPGVEIFSA-N 1 1 490.652 3.299 20 0 JGADMO CCOC(=O)c1cnc(CC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749838 720927078 /nfs/dbraw/zinc/92/70/78/720927078.db2.gz ILQFENHMJQIHQY-AMGIVPHBSA-N 1 1 479.625 3.366 20 0 JGADMO F[C@H](Oc1cncc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750755 720930291 /nfs/dbraw/zinc/93/02/91/720930291.db2.gz KEOHKEYMZIFNBU-VJBMBRPKSA-N 1 1 461.969 3.408 20 0 JGADMO F[C@H](Oc1cncc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750752 720930604 /nfs/dbraw/zinc/93/06/04/720930604.db2.gz KEOHKEYMZIFNBU-OIBXWCBGSA-N 1 1 461.969 3.408 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)[C@H]2C ZINC001164864191 720991155 /nfs/dbraw/zinc/99/11/55/720991155.db2.gz ZGBDTPJUWZKBIR-KRWDZBQOSA-N 1 1 470.599 3.290 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)[C@@H]2C ZINC001164859490 721008039 /nfs/dbraw/zinc/00/80/39/721008039.db2.gz IPSHIMBXIAOJAA-CYBMUJFWSA-N 1 1 460.995 3.457 20 0 JGADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001164761289 721014599 /nfs/dbraw/zinc/01/45/99/721014599.db2.gz SKWPDJUKPOLDQQ-HJNYFJLDSA-N 1 1 470.017 3.368 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(-c4cnn(C)c4)nnn3C[C@H]2COC)nc1 ZINC001164760353 721025499 /nfs/dbraw/zinc/02/54/99/721025499.db2.gz ONHTVDVUVOEYDO-LEWJYISDSA-N 1 1 450.591 3.046 20 0 JGADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164870470 721065690 /nfs/dbraw/zinc/06/56/90/721065690.db2.gz VYBXCNRYIFJSQC-STQMWFEESA-N 1 1 466.760 3.255 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164760976 721092444 /nfs/dbraw/zinc/09/24/44/721092444.db2.gz AGQXEHAIVLOZOJ-RBBKRZOGSA-N 1 1 465.001 3.357 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164765313 721100170 /nfs/dbraw/zinc/10/01/70/721100170.db2.gz IXJRKAOZXVTNIZ-LEWJYISDSA-N 1 1 464.017 3.338 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164874531 721145296 /nfs/dbraw/zinc/14/52/96/721145296.db2.gz KKERNRILRDQAAN-VXKWHMMOSA-N 1 1 494.665 3.015 20 0 JGADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@H+]3C2)c1 ZINC001164869771 721160656 /nfs/dbraw/zinc/16/06/56/721160656.db2.gz BIEZVDMSTUVEAV-FGZHOGPDSA-N 1 1 459.550 3.180 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3N(c4ncccn4)CCC[C@]3(C(=O)NC)C2)nc1 ZINC001164868101 721209117 /nfs/dbraw/zinc/20/91/17/721209117.db2.gz KMCSXPDRDAKHLG-UFPGJGBJSA-N 1 1 463.630 3.030 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C[C@H]3C2)cn1 ZINC001164765815 721214705 /nfs/dbraw/zinc/21/47/05/721214705.db2.gz ILZPVFQTXJVSKJ-IAGOWNOFSA-N 1 1 459.932 3.429 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)nc1 ZINC001164869108 721216083 /nfs/dbraw/zinc/21/60/83/721216083.db2.gz BSRDQDAQIZPJGT-SYVJQLTCSA-N 1 1 464.614 3.367 20 0 JGADMO COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164871138 721225613 /nfs/dbraw/zinc/22/56/13/721225613.db2.gz IGFBEYSPBVXCOU-JOCHJYFZSA-N 1 1 451.615 3.162 20 0 JGADMO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164761532 721252941 /nfs/dbraw/zinc/25/29/41/721252941.db2.gz JHYXOGPBNAOMKY-ZKMPZPQNSA-N 1 1 472.589 3.248 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5OCCN(c6cnccn6)[C@H]5C4)c32)C1 ZINC001164765186 721264614 /nfs/dbraw/zinc/26/46/14/721264614.db2.gz JHAYCECJZUBCAQ-HOJAQTOUSA-N 1 1 491.665 3.296 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCCN(c5cnccn5)[C@@H]4C3)c2c1C ZINC001164768225 721264724 /nfs/dbraw/zinc/26/47/24/721264724.db2.gz TWLZDFASELCMHA-RTBURBONSA-N 1 1 465.627 3.178 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]32)cn1 ZINC001164766752 721264795 /nfs/dbraw/zinc/26/47/95/721264795.db2.gz OMRIHTKENCEGRK-RBUKOAKNSA-N 1 1 477.638 3.050 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCCN(c4cnccn4)[C@H]3C2)n1 ZINC001164764635 721265437 /nfs/dbraw/zinc/26/54/37/721265437.db2.gz HRAMAFOFEDRVOJ-VQTJNVASSA-N 1 1 473.606 3.304 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(CNC(=O)c4ccno4)cnc3C2)n1 ZINC001164768681 721269237 /nfs/dbraw/zinc/26/92/37/721269237.db2.gz WDVNPVMJWGXXSI-UHFFFAOYSA-N 1 1 494.625 3.285 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc(OCc4ccccc4)cc3Cl)CC2)C1 ZINC001164874515 721282766 /nfs/dbraw/zinc/28/27/66/721282766.db2.gz SZEOAWMGRYTWFB-UHFFFAOYSA-N 1 1 473.017 3.321 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(SCc4ccccc4)ccn3)CC2)C1 ZINC001164878501 721288321 /nfs/dbraw/zinc/28/83/21/721288321.db2.gz QSPAIXAUVZKCSN-UHFFFAOYSA-N 1 1 454.640 3.381 20 0 JGADMO Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164875986 721291112 /nfs/dbraw/zinc/29/11/12/721291112.db2.gz IKKNXALWANQQRY-UHFFFAOYSA-N 1 1 486.060 3.345 20 0 JGADMO CC[C@H]1C(=O)N(C)c2cnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164771297 721295297 /nfs/dbraw/zinc/29/52/97/721295297.db2.gz ZGJRUWUGGCOZRT-ROUUACIJSA-N 1 1 460.573 3.148 20 0 JGADMO O=C(NCc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@H]2OCC[C@@H]21 ZINC001164881970 721301902 /nfs/dbraw/zinc/30/19/02/721301902.db2.gz YVSLJAPWJSICDE-RGSZASNESA-N 1 1 483.616 3.193 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCC(=O)N3CC3CC3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164775281 721306981 /nfs/dbraw/zinc/30/69/81/721306981.db2.gz URIUSIQXDATWKI-NRFANRHFSA-N 1 1 497.684 3.252 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)C2)cc1 ZINC001164881379 721311805 /nfs/dbraw/zinc/31/18/05/721311805.db2.gz VTSRMSSMNNEHOG-IEZKXTBUSA-N 1 1 457.578 3.493 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)C2)cc1 ZINC001164881379 721311809 /nfs/dbraw/zinc/31/18/09/721311809.db2.gz VTSRMSSMNNEHOG-IEZKXTBUSA-N 1 1 457.578 3.493 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)nc1 ZINC001164877082 721323634 /nfs/dbraw/zinc/32/36/34/721323634.db2.gz JBFPYNYKDUGHKD-HBAHCVPVSA-N 1 1 464.614 3.222 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777993 721333659 /nfs/dbraw/zinc/33/36/59/721333659.db2.gz RVIXURZCOVBURA-QFIPXVFZSA-N 1 1 463.966 3.031 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777993 721333661 /nfs/dbraw/zinc/33/36/61/721333661.db2.gz RVIXURZCOVBURA-QFIPXVFZSA-N 1 1 463.966 3.031 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)C1 ZINC001164777398 721334731 /nfs/dbraw/zinc/33/47/31/721334731.db2.gz MYCZWPLKMVLVBZ-NRFANRHFSA-N 1 1 483.947 3.103 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)C1 ZINC001164777398 721334734 /nfs/dbraw/zinc/33/47/34/721334734.db2.gz MYCZWPLKMVLVBZ-NRFANRHFSA-N 1 1 483.947 3.103 20 0 JGADMO COC(=O)c1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164778378 721338111 /nfs/dbraw/zinc/33/81/11/721338111.db2.gz UVRPOMYTWGYKPH-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO COc1cc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1OC ZINC001164779699 721339526 /nfs/dbraw/zinc/33/95/26/721339526.db2.gz UXPSPPIGWTYZRM-VWLOTQADSA-N 1 1 467.570 3.371 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C2)C1 ZINC001164779806 721348200 /nfs/dbraw/zinc/34/82/00/721348200.db2.gz WXNLXTHZBMIKJI-MHZLTWQESA-N 1 1 490.608 3.086 20 0 JGADMO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164883841 721349353 /nfs/dbraw/zinc/34/93/53/721349353.db2.gz MLPLHXUDUHJVPC-OZXSUGGESA-N 1 1 469.589 3.012 20 0 JGADMO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164883841 721349357 /nfs/dbraw/zinc/34/93/57/721349357.db2.gz MLPLHXUDUHJVPC-OZXSUGGESA-N 1 1 469.589 3.012 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4)nc(N(C)C)n3)C2)C1 ZINC001164780264 721355661 /nfs/dbraw/zinc/35/56/61/721355661.db2.gz FGIBSXHDNATALG-SANMLTNESA-N 1 1 477.613 3.328 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4)nc(N(C)C)n3)C2)C1 ZINC001164780264 721355665 /nfs/dbraw/zinc/35/56/65/721355665.db2.gz FGIBSXHDNATALG-SANMLTNESA-N 1 1 477.613 3.328 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)C2)C1 ZINC001164785285 721363486 /nfs/dbraw/zinc/36/34/86/721363486.db2.gz SYICPNLNCLLPSC-XMMPIXPASA-N 1 1 489.020 3.218 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)C2)C1 ZINC001164785285 721363488 /nfs/dbraw/zinc/36/34/88/721363488.db2.gz SYICPNLNCLLPSC-XMMPIXPASA-N 1 1 489.020 3.218 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(Cn4ccccc4=O)cn3)C2)C1 ZINC001164780769 721367492 /nfs/dbraw/zinc/36/74/92/721367492.db2.gz HFVXFKXERIXLRS-SANMLTNESA-N 1 1 463.582 3.015 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(-c4cccc(F)c4)n3)C2)C1 ZINC001164784195 721369063 /nfs/dbraw/zinc/36/90/63/721369063.db2.gz QWJXGVFYFASMGR-XMMPIXPASA-N 1 1 452.534 3.402 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(-c4cccc(F)c4)n3)C2)C1 ZINC001164784195 721369066 /nfs/dbraw/zinc/36/90/66/721369066.db2.gz QWJXGVFYFASMGR-XMMPIXPASA-N 1 1 452.534 3.402 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(CC(=O)N(c5cnn(C)c5)C4)C3)c2c1C ZINC001164888074 721372809 /nfs/dbraw/zinc/37/28/09/721372809.db2.gz TZWZKUITZZKOGM-DEOSSOPVSA-N 1 1 465.627 3.271 20 0 JGADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164787859 721375766 /nfs/dbraw/zinc/37/57/66/721375766.db2.gz XUBQRPLIAGXNFM-WNSKOXEYSA-N 1 1 477.993 3.130 20 0 JGADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164787859 721375770 /nfs/dbraw/zinc/37/57/70/721375770.db2.gz XUBQRPLIAGXNFM-WNSKOXEYSA-N 1 1 477.993 3.130 20 0 JGADMO COc1cc(OC)c2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164782019 721375954 /nfs/dbraw/zinc/37/59/54/721375954.db2.gz LHGNOYDWPQTYAZ-VWLOTQADSA-N 1 1 467.570 3.371 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)C2)C1 ZINC001164781293 721376272 /nfs/dbraw/zinc/37/62/72/721376272.db2.gz IWAQSSPQCQEABK-MBSDFSHPSA-N 1 1 477.993 3.022 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)C2)C1 ZINC001164781293 721376276 /nfs/dbraw/zinc/37/62/76/721376276.db2.gz IWAQSSPQCQEABK-MBSDFSHPSA-N 1 1 477.993 3.022 20 0 JGADMO COCc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccccc2)n1 ZINC001164890918 721386193 /nfs/dbraw/zinc/38/61/93/721386193.db2.gz PICOSRBYXZXMQP-BVAGGSTKSA-N 1 1 451.615 3.055 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893590 721387642 /nfs/dbraw/zinc/38/76/42/721387642.db2.gz VPBUBQJPVKUYKX-KSSFIOAISA-N 1 1 450.361 3.094 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164894436 721393630 /nfs/dbraw/zinc/39/36/30/721393630.db2.gz XWBWJXDOBUBHBK-WNCULLNHSA-N 1 1 498.071 3.430 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C3)O2)CC1 ZINC001164891844 721398255 /nfs/dbraw/zinc/39/82/55/721398255.db2.gz QQDIUZQWDLALFF-HFZDXXHNSA-N 1 1 496.059 3.293 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164883524 721404348 /nfs/dbraw/zinc/40/43/48/721404348.db2.gz ANNITCTYIFUMQB-DFBJGRDBSA-N 1 1 485.654 3.147 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883523 721404355 /nfs/dbraw/zinc/40/43/55/721404355.db2.gz ANNITCTYIFUMQB-CLOONOSVSA-N 1 1 485.654 3.147 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164883970 721407625 /nfs/dbraw/zinc/40/76/25/721407625.db2.gz CTUQUBBNPNAXDZ-BVZFJXPGSA-N 1 1 488.032 3.225 20 0 JGADMO CCOc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OCC ZINC001164892584 721412192 /nfs/dbraw/zinc/41/21/92/721412192.db2.gz YWKZEJWMQBEMHB-RXFWQSSRSA-N 1 1 469.630 3.193 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C3)O2)CC1 ZINC001164885879 721417861 /nfs/dbraw/zinc/41/78/61/721417861.db2.gz HTKHQENSAMIPQA-HOYKHHGWSA-N 1 1 464.054 3.029 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164781770 721420399 /nfs/dbraw/zinc/42/03/99/721420399.db2.gz DZUXBWJSTZWKKZ-HOTGVXAUSA-N 1 1 459.616 3.382 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164887248 721422636 /nfs/dbraw/zinc/42/26/36/721422636.db2.gz LQGZKBLEDDSEAN-AUSIDOKSSA-N 1 1 476.984 3.222 20 0 JGADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784278 721423083 /nfs/dbraw/zinc/42/30/83/721423083.db2.gz KZPVWNZGMVUJBJ-HLFMIMNKSA-N 1 1 492.024 3.017 20 0 JGADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784285 721423104 /nfs/dbraw/zinc/42/31/04/721423104.db2.gz KZPVWNZGMVUJBJ-ZCCHDVMBSA-N 1 1 492.024 3.017 20 0 JGADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784285 721423107 /nfs/dbraw/zinc/42/31/07/721423107.db2.gz KZPVWNZGMVUJBJ-ZCCHDVMBSA-N 1 1 492.024 3.017 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164899502 721426300 /nfs/dbraw/zinc/42/63/00/721426300.db2.gz YSGCOGJCJMDBKE-RCZVLFRGSA-N 1 1 456.034 3.486 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164892185 721429893 /nfs/dbraw/zinc/42/98/93/721429893.db2.gz HRJPYIFUOWBPQJ-HTAPYJJXSA-N 1 1 486.991 3.222 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C3)O2)CC1 ZINC001164898222 721431014 /nfs/dbraw/zinc/43/10/14/721431014.db2.gz VMQJTRFXAOLKEB-CJAUYULYSA-N 1 1 485.633 3.070 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c(Cl)nccc54)C3)O2)CC1 ZINC001164893763 721431463 /nfs/dbraw/zinc/43/14/63/721431463.db2.gz KISDQPMATQSXFB-YCRPNKLZSA-N 1 1 451.402 3.097 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5ccccc5nc4N4CCCCC4)C3)O2)CC1 ZINC001164899347 721431896 /nfs/dbraw/zinc/43/18/96/721431896.db2.gz YHVXHIVMQCGTSM-CUNXSJBXSA-N 1 1 464.658 3.386 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164899193 721433276 /nfs/dbraw/zinc/43/32/76/721433276.db2.gz YCYOPHHXWCCVTG-CLOONOSVSA-N 1 1 487.670 3.250 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164783406 721433367 /nfs/dbraw/zinc/43/33/67/721433367.db2.gz INGLMXFVLSKLHR-HOTGVXAUSA-N 1 1 453.568 3.194 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C3)O2)CC1 ZINC001164892154 721440290 /nfs/dbraw/zinc/44/02/90/721440290.db2.gz HMHVGCHTZLINMX-AJTFRIOCSA-N 1 1 479.625 3.070 20 0 JGADMO COc1ccc(Oc2cc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc(C)n2)cc1 ZINC001164892989 721445842 /nfs/dbraw/zinc/44/58/42/721445842.db2.gz INHCJTCZKPICSB-OZXSUGGESA-N 1 1 467.614 3.351 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(C(=O)OC(C)(C)C)cc4Cl)C3)O2)CC1 ZINC001164898799 721446846 /nfs/dbraw/zinc/44/68/46/721446846.db2.gz XOIKGLCTMKKMJL-CYFREDJKSA-N 1 1 465.038 3.456 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cncc(OCc5cccc(Cl)c5)n4)C3)O2)CC1 ZINC001164884948 721447975 /nfs/dbraw/zinc/44/79/75/721447975.db2.gz CZNFYEPKMYBXEK-RCZVLFRGSA-N 1 1 472.033 3.474 20 0 JGADMO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788730 721451508 /nfs/dbraw/zinc/45/15/08/721451508.db2.gz TVOONRLGJJATCJ-UPWIVDSGSA-N 1 1 457.615 3.392 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(Cl)(Cl)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164888991 721452799 /nfs/dbraw/zinc/45/27/99/721452799.db2.gz MWLUVHHTAKIBKP-PKOBYXMFSA-N 1 1 463.837 3.464 20 0 JGADMO CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885521 721453176 /nfs/dbraw/zinc/45/31/76/721453176.db2.gz FBPXRUJSAHAWQQ-XUZZJYLKSA-N 1 1 496.046 3.422 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164785058 721453496 /nfs/dbraw/zinc/45/34/96/721453496.db2.gz GHUYXMXDCCYMAT-JOCHJYFZSA-N 1 1 468.598 3.150 20 0 JGADMO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885520 721453528 /nfs/dbraw/zinc/45/35/28/721453528.db2.gz FBPXRUJSAHAWQQ-URXFXBBRSA-N 1 1 496.046 3.422 20 0 JGADMO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1 ZINC001164889045 721458637 /nfs/dbraw/zinc/45/86/37/721458637.db2.gz NEDGOXRQGYEYGA-ZCNNSNEGSA-N 1 1 481.666 3.428 20 0 JGADMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1 ZINC001164890931 721459136 /nfs/dbraw/zinc/45/91/36/721459136.db2.gz TVWRBDOWBBSLFH-AABGKKOBSA-N 1 1 481.666 3.428 20 0 JGADMO Cc1nc(CN2CC[C@@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C3)C2=O)cs1 ZINC001164892053 721461917 /nfs/dbraw/zinc/46/19/17/721461917.db2.gz WCOZQNRRJUUMBF-XMMPIXPASA-N 1 1 455.628 3.339 20 0 JGADMO Cc1nc(CN2CC[C@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C3)C2=O)cs1 ZINC001164892052 721462037 /nfs/dbraw/zinc/46/20/37/721462037.db2.gz WCOZQNRRJUUMBF-DEOSSOPVSA-N 1 1 455.628 3.339 20 0 JGADMO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164782731 721462962 /nfs/dbraw/zinc/46/29/62/721462962.db2.gz BFYNOOSEZRUBDV-ISGGHPHESA-N 1 1 457.615 3.392 20 0 JGADMO CCOC(=O)/C=C\c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164782729 721463192 /nfs/dbraw/zinc/46/31/92/721463192.db2.gz BFYNOOSEZRUBDV-HKPHNFCXSA-N 1 1 457.615 3.392 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164787232 721471996 /nfs/dbraw/zinc/47/19/96/721471996.db2.gz DMRJNRFLYMSINB-WOJBJXKFSA-N 1 1 481.037 3.032 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164786424 721473141 /nfs/dbraw/zinc/47/31/41/721473141.db2.gz BFUUWOFNQPWFID-HKUYNNGSSA-N 1 1 481.037 3.140 20 0 JGADMO Fc1cccnc1OC[C@@]12COC[C@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164791053 721486353 /nfs/dbraw/zinc/48/63/53/721486353.db2.gz AKZKMRVGQXWOAU-FQRUVTKNSA-N 1 1 461.541 3.101 20 0 JGADMO Fc1cccnc1OC[C@@]12COC[C@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164791053 721486358 /nfs/dbraw/zinc/48/63/58/721486358.db2.gz AKZKMRVGQXWOAU-FQRUVTKNSA-N 1 1 461.541 3.101 20 0 JGADMO COC(=O)C1CCN(c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)CC1 ZINC001164795499 721497034 /nfs/dbraw/zinc/49/70/34/721497034.db2.gz JGRWBJPZKCVMSA-UHFFFAOYSA-N 1 1 464.614 3.142 20 0 JGADMO COC(=O)C1CCN(c2nccnc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001164795058 721497798 /nfs/dbraw/zinc/49/77/98/721497798.db2.gz BXVRJHDLDOANFS-UHFFFAOYSA-N 1 1 464.614 3.142 20 0 JGADMO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164898678 721500772 /nfs/dbraw/zinc/50/07/72/721500772.db2.gz TUBRFDQJFZMUIR-DEOSSOPVSA-N 1 1 463.626 3.183 20 0 JGADMO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164898678 721500774 /nfs/dbraw/zinc/50/07/74/721500774.db2.gz TUBRFDQJFZMUIR-DEOSSOPVSA-N 1 1 463.626 3.183 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164900263 721512641 /nfs/dbraw/zinc/51/26/41/721512641.db2.gz PGIWVLNQZIJBOU-GDBMZVCRSA-N 1 1 470.879 3.333 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164794810 721525461 /nfs/dbraw/zinc/52/54/61/721525461.db2.gz IEDGRXXFBGLUSR-BJLQDIEVSA-N 1 1 467.595 3.440 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164794810 721525464 /nfs/dbraw/zinc/52/54/64/721525464.db2.gz IEDGRXXFBGLUSR-BJLQDIEVSA-N 1 1 467.595 3.440 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2c1 ZINC001164807166 721531440 /nfs/dbraw/zinc/53/14/40/721531440.db2.gz PVRZREMKPRMARQ-HKBOAZHASA-N 1 1 467.957 3.333 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2c1 ZINC001164807166 721531443 /nfs/dbraw/zinc/53/14/43/721531443.db2.gz PVRZREMKPRMARQ-HKBOAZHASA-N 1 1 467.957 3.333 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808368 721547393 /nfs/dbraw/zinc/54/73/93/721547393.db2.gz RRICFYAUBFKQSX-WSTZPKSXSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808368 721547395 /nfs/dbraw/zinc/54/73/95/721547395.db2.gz RRICFYAUBFKQSX-WSTZPKSXSA-N 1 1 466.916 3.330 20 0 JGADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905795 721548524 /nfs/dbraw/zinc/54/85/24/721548524.db2.gz IHRWJENKHQSSNX-RXVVDRJESA-N 1 1 484.553 3.153 20 0 JGADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164911559 721550733 /nfs/dbraw/zinc/55/07/33/721550733.db2.gz XJPOSWYGVKNYJH-IRLDBZIGSA-N 1 1 493.564 3.149 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164904187 721556007 /nfs/dbraw/zinc/55/60/07/721556007.db2.gz DGHCATDFOXCCCD-FBBABVLZSA-N 1 1 462.591 3.030 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164904190 721556263 /nfs/dbraw/zinc/55/62/63/721556263.db2.gz DGHCATDFOXCCCD-HFSMHLIXSA-N 1 1 462.591 3.030 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907242 721556349 /nfs/dbraw/zinc/55/63/49/721556349.db2.gz MYLRPCPDDRUIQR-UYAOXDASSA-N 1 1 462.591 3.030 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)CC[N@H+]3C2)c1 ZINC001164911031 721556453 /nfs/dbraw/zinc/55/64/53/721556453.db2.gz YEDTXYJTPNFEAG-FYYLOGMGSA-N 1 1 492.574 3.423 20 0 JGADMO O=C(Nc1nncs1)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164911466 721557568 /nfs/dbraw/zinc/55/75/68/721557568.db2.gz ZETZLMZTAZVHSI-WBVHZDCISA-N 1 1 474.949 3.320 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164803955 721561227 /nfs/dbraw/zinc/56/12/27/721561227.db2.gz JZIBOLNRDKYNLE-ZWOKBUDYSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164803955 721561233 /nfs/dbraw/zinc/56/12/33/721561233.db2.gz JZIBOLNRDKYNLE-ZWOKBUDYSA-N 1 1 466.916 3.330 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3Cc2ccccc2F)[C@H]2CCCO[C@@H]12 ZINC001164808100 721563497 /nfs/dbraw/zinc/56/34/97/721563497.db2.gz UNRZFQXEFCWMPJ-WMTXJRDZSA-N 1 1 473.556 3.277 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3Cc2ccccc2F)[C@H]2CCCO[C@@H]12 ZINC001164808100 721563502 /nfs/dbraw/zinc/56/35/02/721563502.db2.gz UNRZFQXEFCWMPJ-WMTXJRDZSA-N 1 1 473.556 3.277 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)[C@@H]2CCCO[C@H]12 ZINC001164808232 721563752 /nfs/dbraw/zinc/56/37/52/721563752.db2.gz UUBNVFUHQHZMNJ-HLIPFELVSA-N 1 1 460.916 3.486 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)[C@@H]2CCCO[C@H]12 ZINC001164808232 721563754 /nfs/dbraw/zinc/56/37/54/721563754.db2.gz UUBNVFUHQHZMNJ-HLIPFELVSA-N 1 1 460.916 3.486 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2s1 ZINC001164798532 721567601 /nfs/dbraw/zinc/56/76/01/721567601.db2.gz BEXIWMRWGZBPKB-CMKODMSKSA-N 1 1 453.568 3.131 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2s1 ZINC001164798532 721567604 /nfs/dbraw/zinc/56/76/04/721567604.db2.gz BEXIWMRWGZBPKB-CMKODMSKSA-N 1 1 453.568 3.131 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808873 721569211 /nfs/dbraw/zinc/56/92/11/721569211.db2.gz WBOSBNSSGMEWCW-DSITVLBTSA-N 1 1 474.609 3.279 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808873 721569214 /nfs/dbraw/zinc/56/92/14/721569214.db2.gz WBOSBNSSGMEWCW-DSITVLBTSA-N 1 1 474.609 3.279 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164803040 721572805 /nfs/dbraw/zinc/57/28/05/721572805.db2.gz JGPWRSXUJWFQMK-CEXWTWQISA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164803040 721572811 /nfs/dbraw/zinc/57/28/11/721572811.db2.gz JGPWRSXUJWFQMK-CEXWTWQISA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1)C1CC1 ZINC001164807303 721574318 /nfs/dbraw/zinc/57/43/18/721574318.db2.gz SOBCNJPEGVTGFZ-TUGCOKMYSA-N 1 1 450.583 3.402 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](COCC(=O)N3CCCC3)C2)nc1 ZINC001164904510 721582411 /nfs/dbraw/zinc/58/24/11/721582411.db2.gz QVJJBVUFBHUAHU-UPVQGACJSA-N 1 1 480.657 3.491 20 0 JGADMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164801807 721586427 /nfs/dbraw/zinc/58/64/27/721586427.db2.gz FWVSUURYWIRZAJ-FIXSFTCYSA-N 1 1 458.566 3.301 20 0 JGADMO COc1cccc(CN2C[C@@H]3CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164801486 721592836 /nfs/dbraw/zinc/59/28/36/721592836.db2.gz FBKWATBWRVHJHI-XUZZJYLKSA-N 1 1 470.639 3.115 20 0 JGADMO O=C1CO[C@@]2(CN1c1ccsc1)COCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164796048 721593932 /nfs/dbraw/zinc/59/39/32/721593932.db2.gz AWSBXTGLPUJZDE-QFIPXVFZSA-N 1 1 463.003 3.031 20 0 JGADMO C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009149 721691904 /nfs/dbraw/zinc/69/19/04/721691904.db2.gz NNXRIRMPUOSJCK-RTGAMMJTSA-N 1 1 465.598 3.352 20 0 JGADMO FC1(F)CCN(c2nc3scnc3c(N3CCOCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903664 721695967 /nfs/dbraw/zinc/69/59/67/721695967.db2.gz BFQZFMXRMCSOAI-QFIPXVFZSA-N 1 1 487.580 3.056 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906973 721700139 /nfs/dbraw/zinc/70/01/39/721700139.db2.gz PVEWBIHWDQEGCS-FQEVSTJZSA-N 1 1 451.905 3.439 20 0 JGADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907916 721700678 /nfs/dbraw/zinc/70/06/78/721700678.db2.gz WLADUUBPGPLYII-NRFANRHFSA-N 1 1 465.932 3.368 20 0 JGADMO FC1(F)CCN(c2nc(Cl)ncc2N2CCOCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906243 721707282 /nfs/dbraw/zinc/70/72/82/721707282.db2.gz LLNJFHVJHYNFPV-NRFANRHFSA-N 1 1 464.948 3.099 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905647 721720570 /nfs/dbraw/zinc/72/05/70/721720570.db2.gz IEQJYXWIGSKQDQ-FQEVSTJZSA-N 1 1 451.905 3.439 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905649 721720988 /nfs/dbraw/zinc/72/09/88/721720988.db2.gz IEQJYXWIGSKQDQ-HXUWFJFHSA-N 1 1 451.905 3.439 20 0 JGADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)CC1 ZINC001165011877 721736618 /nfs/dbraw/zinc/73/66/18/721736618.db2.gz VMSYXKRUZUGPLJ-UHFFFAOYSA-N 1 1 455.912 3.490 20 0 JGADMO COC(=O)C1CCN(c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)CC1 ZINC001164910082 721757157 /nfs/dbraw/zinc/75/71/57/721757157.db2.gz LJIAYHWAKOFZJL-UHFFFAOYSA-N 1 1 476.581 3.049 20 0 JGADMO COC(=O)C1CCN(c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)CC1 ZINC001164910082 721757159 /nfs/dbraw/zinc/75/71/59/721757159.db2.gz LJIAYHWAKOFZJL-UHFFFAOYSA-N 1 1 476.581 3.049 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(=O)(=O)N1CCCC1)C2 ZINC001164909480 721758162 /nfs/dbraw/zinc/75/81/62/721758162.db2.gz FJKADNKXOXESBD-UHFFFAOYSA-N 1 1 467.595 3.049 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(=O)(=O)N1CCCC1)C2 ZINC001164909480 721758164 /nfs/dbraw/zinc/75/81/64/721758164.db2.gz FJKADNKXOXESBD-UHFFFAOYSA-N 1 1 467.595 3.049 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165019401 721778033 /nfs/dbraw/zinc/77/80/33/721778033.db2.gz KYNUITCLMYPRFU-MVERNJQCSA-N 1 1 456.631 3.253 20 0 JGADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915604 721792308 /nfs/dbraw/zinc/79/23/08/721792308.db2.gz LVTCHFWNICOJAY-HSZRJFAPSA-N 1 1 456.978 3.168 20 0 JGADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915604 721792309 /nfs/dbraw/zinc/79/23/09/721792309.db2.gz LVTCHFWNICOJAY-HSZRJFAPSA-N 1 1 456.978 3.168 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)C[C@@H]21 ZINC001165020359 721807015 /nfs/dbraw/zinc/80/70/15/721807015.db2.gz FGOVSPYODYERDD-YSIASYRMSA-N 1 1 465.627 3.055 20 0 JGADMO COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001165020787 721823132 /nfs/dbraw/zinc/82/31/32/721823132.db2.gz DUFVIYRRWGMEOU-ILWGZMRPSA-N 1 1 451.619 3.393 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc2C1 ZINC001165027691 721824195 /nfs/dbraw/zinc/82/41/95/721824195.db2.gz TUCFGORMIOGACD-AVCGJXAMSA-N 1 1 450.587 3.123 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@@H]21 ZINC001165018858 721825348 /nfs/dbraw/zinc/82/53/48/721825348.db2.gz AKRWKEMWZWDERB-ILWGZMRPSA-N 1 1 462.598 3.044 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCCC3)C[C@H]21 ZINC001165029581 721827249 /nfs/dbraw/zinc/82/72/49/721827249.db2.gz XFQPYWPUZKMGQC-YMPZKCBVSA-N 1 1 469.655 3.388 20 0 JGADMO Cc1nc(CN2CCOC[C@@]3(CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CCO3)C2)cs1 ZINC001164922237 721829125 /nfs/dbraw/zinc/82/91/25/721829125.db2.gz NLFDHQBSHVAXOF-QHCPKHFHSA-N 1 1 478.062 3.204 20 0 JGADMO COc1cc2c[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3csc(C)n3)C4)cc2cc1OC ZINC001164923008 721832741 /nfs/dbraw/zinc/83/27/41/721832741.db2.gz QFYWIELCIQTASU-XMMPIXPASA-N 1 1 470.595 3.125 20 0 JGADMO Cn1ccc(CN2CCOCC23CCN(c2[nH+]cnc4c2ccn4Cc2ccc(F)cc2)CC3)n1 ZINC001164936842 721905944 /nfs/dbraw/zinc/90/59/44/721905944.db2.gz ZDHVLIGIGOJMSM-UHFFFAOYSA-N 1 1 475.572 3.224 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[C@H](OCC(=O)N4CCCC4)CO3)C2)nc1 ZINC001164939191 721919323 /nfs/dbraw/zinc/91/93/23/721919323.db2.gz SOQDRZHEVYXQNH-PPJWLVRDSA-N 1 1 456.631 3.395 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(S(=O)(=O)N5CCCC5)ccn4)CC3)C2)cc1 ZINC001164939665 721932497 /nfs/dbraw/zinc/93/24/97/721932497.db2.gz NTGMZKATQQWKAS-UHFFFAOYSA-N 1 1 470.639 3.046 20 0 JGADMO CC[C@H]1C(=O)N(C)c2cnc(N3CC[NH+](CCOc4ccccc4)CC3)nc2N1C1CCCC1 ZINC001165043903 721956331 /nfs/dbraw/zinc/95/63/31/721956331.db2.gz GQGQTRZNFBVSTR-QFIPXVFZSA-N 1 1 464.614 3.182 20 0 JGADMO COc1cc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2cc1OC ZINC001164945708 721972449 /nfs/dbraw/zinc/97/24/49/721972449.db2.gz QVRSTVHPUIBFMA-UHFFFAOYSA-N 1 1 481.984 3.271 20 0 JGADMO COc1cc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2cc1OC ZINC001164945708 721972450 /nfs/dbraw/zinc/97/24/50/721972450.db2.gz QVRSTVHPUIBFMA-UHFFFAOYSA-N 1 1 481.984 3.271 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c2[nH]cnc21 ZINC001164945793 721977604 /nfs/dbraw/zinc/97/76/04/721977604.db2.gz GCXIDAODLGRSPB-UHFFFAOYSA-N 1 1 491.596 3.276 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c2[nH]cnc21 ZINC001164945793 721977605 /nfs/dbraw/zinc/97/76/05/721977605.db2.gz GCXIDAODLGRSPB-UHFFFAOYSA-N 1 1 491.596 3.276 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]4CN(S(C)(=O)=O)C[C@@H]43)c2c1C ZINC001164950170 721985102 /nfs/dbraw/zinc/98/51/02/721985102.db2.gz IZMOPBHQVBINOZ-ROUUACIJSA-N 1 1 463.673 3.154 20 0 JGADMO CS(=O)(=O)N1C[C@@H]2CCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)[C@@H]2C1 ZINC001164951368 721985172 /nfs/dbraw/zinc/98/51/72/721985172.db2.gz YSJRSFKLYGGDJQ-FUHWJXTLSA-N 1 1 475.684 3.026 20 0 JGADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164956229 722022470 /nfs/dbraw/zinc/02/24/70/722022470.db2.gz ZKURMOPGRFIVHD-FQEVSTJZSA-N 1 1 457.644 3.436 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@H]4COC[C@@H]43)c2c1C ZINC001164960069 722037410 /nfs/dbraw/zinc/03/74/10/722037410.db2.gz IVGWBYRJVLMBDU-DYXWJJEUSA-N 1 1 494.665 3.266 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@H]4COC[C@H]43)c2c1C ZINC001164960071 722037526 /nfs/dbraw/zinc/03/75/26/722037526.db2.gz IVGWBYRJVLMBDU-SVFBPWRDSA-N 1 1 494.665 3.266 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3COC[C@@H]32)n1 ZINC001164958805 722037591 /nfs/dbraw/zinc/03/75/91/722037591.db2.gz DMEBVOCNMMYDJN-BJLQDIEVSA-N 1 1 482.654 3.122 20 0 JGADMO Clc1cc(C2CC[NH2+]CC2)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164962941 722054557 /nfs/dbraw/zinc/05/45/57/722054557.db2.gz GAJFUHWCSLBSAX-UHFFFAOYSA-N 1 1 457.022 3.111 20 0 JGADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164959954 722058317 /nfs/dbraw/zinc/05/83/17/722058317.db2.gz AGDZIUGPSXFKCN-NSCUHMNNSA-N 1 1 461.566 3.263 20 0 JGADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164959953 722058400 /nfs/dbraw/zinc/05/84/00/722058400.db2.gz AGDZIUGPSXFKCN-IHWYPQMZSA-N 1 1 461.566 3.263 20 0 JGADMO CC1CCN(C(=O)c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2)CC1 ZINC001164960034 722059281 /nfs/dbraw/zinc/05/92/81/722059281.db2.gz DVSVDPWGOMGYST-UHFFFAOYSA-N 1 1 463.626 3.468 20 0 JGADMO O=C1NCc2ccccc2CC12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164968110 722078379 /nfs/dbraw/zinc/07/83/79/722078379.db2.gz QWSTUUCRRPUANE-UHFFFAOYSA-N 1 1 453.590 3.494 20 0 JGADMO O=C1NCc2ccccc2CC12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164968110 722078380 /nfs/dbraw/zinc/07/83/80/722078380.db2.gz QWSTUUCRRPUANE-UHFFFAOYSA-N 1 1 453.590 3.494 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2c2ccccc21 ZINC001164972358 722089819 /nfs/dbraw/zinc/08/98/19/722089819.db2.gz GIVUIGQKSGCDFB-NFBKMPQASA-N 1 1 475.618 3.035 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2c2ccccc21 ZINC001164972358 722089820 /nfs/dbraw/zinc/08/98/20/722089820.db2.gz GIVUIGQKSGCDFB-NFBKMPQASA-N 1 1 475.618 3.035 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5CN(c6cnn(C)c6)C(=O)[C@@H]5C4)c23)C1 ZINC001164980125 722095532 /nfs/dbraw/zinc/09/55/32/722095532.db2.gz LMTGLYNREIKZDL-MBOZVWFJSA-N 1 1 491.665 3.245 20 0 JGADMO O=C(NCc1ccccc1)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980066 722103553 /nfs/dbraw/zinc/10/35/53/722103553.db2.gz JEBUEKLLJJGRKV-ZCYQVOJMSA-N 1 1 457.578 3.134 20 0 JGADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2N1C1CCCC1 ZINC001164973320 722117351 /nfs/dbraw/zinc/11/73/51/722117351.db2.gz HAIWXTVXSGHCOL-AGILITTLSA-N 1 1 491.640 3.079 20 0 JGADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979772 722118920 /nfs/dbraw/zinc/11/89/20/722118920.db2.gz PVOMIGYYVKBVKO-IFMALSPDSA-N 1 1 478.597 3.100 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980398 722127285 /nfs/dbraw/zinc/12/72/85/722127285.db2.gz QZDAANSHFXQZNL-NFBKMPQASA-N 1 1 463.582 3.479 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1)C1CC1 ZINC001164976995 722137659 /nfs/dbraw/zinc/13/76/59/722137659.db2.gz HMTABNCLNUXICZ-SGNDLWITSA-N 1 1 450.583 3.261 20 0 JGADMO O=C(c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164975104 722144157 /nfs/dbraw/zinc/14/41/57/722144157.db2.gz DVQHDCKLTIEBQS-NZQKXSOJSA-N 1 1 470.017 3.483 20 0 JGADMO CN1c2ccccc2[C@]2(CCN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@H](CO)C3)C2)C1=O ZINC001164977633 722162442 /nfs/dbraw/zinc/16/24/42/722162442.db2.gz GJBFGJRJUCRMCK-HMILPKGGSA-N 1 1 491.636 3.005 20 0 JGADMO Cc1nc(CN2CCO[C@H]3CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC[C@@H]32)cs1 ZINC001164991731 722186300 /nfs/dbraw/zinc/18/63/00/722186300.db2.gz UPAHVSWPZLVOBG-GOTSBHOMSA-N 1 1 457.644 3.189 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001164999325 722218951 /nfs/dbraw/zinc/21/89/51/722218951.db2.gz QTYHMIAOGVVKMR-BVAGGSTKSA-N 1 1 462.598 3.455 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(OCc4ccccc4)cc2Cl)CC3)CC1 ZINC001165002189 722236579 /nfs/dbraw/zinc/23/65/79/722236579.db2.gz QOUQKXVUYWZNQT-UHFFFAOYSA-N 1 1 465.001 3.461 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(-c4ccc(Cl)nn4)ccc2F)CC3)CC1 ZINC001165001590 722238504 /nfs/dbraw/zinc/23/85/04/722238504.db2.gz JVLCMZOAXLHOMC-UHFFFAOYSA-N 1 1 453.953 3.083 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)c(-c4cccnc4)c2)CC3)CC1 ZINC001165001494 722238934 /nfs/dbraw/zinc/23/89/34/722238934.db2.gz HPJSLXRHOZTHKG-UHFFFAOYSA-N 1 1 485.970 3.489 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(C(=O)c4cccn4C)C[C@@H]3C2)nc1 ZINC001165006050 722244477 /nfs/dbraw/zinc/24/44/77/722244477.db2.gz WXXXCQZNLCKEOT-AKFKNWHVSA-N 1 1 451.615 3.335 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305798329 1069319364 /nfs/dbraw/zinc/31/93/64/1069319364.db2.gz NTJUHVJTQDFMHK-AZUAARDMSA-N 1 1 491.681 3.032 20 0 JGADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC001305801880 1069324513 /nfs/dbraw/zinc/32/45/13/1069324513.db2.gz AQAVOHLEOBLZDJ-UGKGYDQZSA-N 1 1 468.646 3.257 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305802637 1069326481 /nfs/dbraw/zinc/32/64/81/1069326481.db2.gz QJGSVTUTBSABBE-VXIBKDFQSA-N 1 1 488.599 3.330 20 0 JGADMO CC[C@@H](Cn1c(C(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305803829 1069328182 /nfs/dbraw/zinc/32/81/82/1069328182.db2.gz CXMDFKBPRCJIDO-SFHVURJKSA-N 1 1 452.644 3.252 20 0 JGADMO CC[C@@H](Cn1c(C(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305803829 1069328199 /nfs/dbraw/zinc/32/81/99/1069328199.db2.gz CXMDFKBPRCJIDO-SFHVURJKSA-N 1 1 452.644 3.252 20 0 JGADMO CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC001305804638 1069330313 /nfs/dbraw/zinc/33/03/13/1069330313.db2.gz HWXDTEYPFJXDJL-FPOVZHCZSA-N 1 1 463.586 3.061 20 0 JGADMO CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)Oc1ccccc1F ZINC001305809055 1069338736 /nfs/dbraw/zinc/33/87/36/1069338736.db2.gz XQSYTNCGTAKTHQ-TZIWHRDSSA-N 1 1 472.609 3.141 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305814405 1069346260 /nfs/dbraw/zinc/34/62/60/1069346260.db2.gz GDWULFBHDJKIER-OAQYLSRUSA-N 1 1 477.053 3.404 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)OC ZINC001305814405 1069346267 /nfs/dbraw/zinc/34/62/67/1069346267.db2.gz GDWULFBHDJKIER-OAQYLSRUSA-N 1 1 477.053 3.404 20 0 JGADMO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)OC ZINC001305817141 1069351098 /nfs/dbraw/zinc/35/10/98/1069351098.db2.gz XACQHXWNCQAKLX-NQIIRXRSSA-N 1 1 475.659 3.084 20 0 JGADMO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC(N)=O)[N@H+]1CCc2ccccc2C1 ZINC001305826756 1069366352 /nfs/dbraw/zinc/36/63/52/1069366352.db2.gz KKBNSKBAABFAEW-SIKLNZKXSA-N 1 1 461.614 3.186 20 0 JGADMO CC[C@H](Cn1c(C2CCC2)nnc1N(CC)CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001305832436 1069373371 /nfs/dbraw/zinc/37/33/71/1069373371.db2.gz ZGMDSMJHLZXFRZ-JOCHJYFZSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](Cn1c(C2CCC2)nnc1N(CC)CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001305832436 1069373384 /nfs/dbraw/zinc/37/33/84/1069373384.db2.gz ZGMDSMJHLZXFRZ-JOCHJYFZSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](Cn1c(C2CCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305832600 1069373503 /nfs/dbraw/zinc/37/35/03/1069373503.db2.gz ZWGJJYIEHKZAOW-LJQANCHMSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@H](Cn1c(C2CCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001305832600 1069373517 /nfs/dbraw/zinc/37/35/17/1069373517.db2.gz ZWGJJYIEHKZAOW-LJQANCHMSA-N 1 1 464.655 3.396 20 0 JGADMO CC[C@H](Cn1c(C2CCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305830397 1069371635 /nfs/dbraw/zinc/37/16/35/1069371635.db2.gz RJTIZGRGJJCIKP-WSTZPKSXSA-N 1 1 464.655 3.394 20 0 JGADMO CC[C@H](Cn1c(C2CCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305830397 1069371645 /nfs/dbraw/zinc/37/16/45/1069371645.db2.gz RJTIZGRGJJCIKP-WSTZPKSXSA-N 1 1 464.655 3.394 20 0 JGADMO CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1)OC ZINC001305840798 1069388584 /nfs/dbraw/zinc/38/85/84/1069388584.db2.gz FGUZMIOFVUDPQG-QFIPXVFZSA-N 1 1 450.587 3.020 20 0 JGADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305842303 1069391547 /nfs/dbraw/zinc/39/15/47/1069391547.db2.gz OSLCCVXSLYCXGU-SVFBPWRDSA-N 1 1 471.650 3.486 20 0 JGADMO CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001305844272 1069394107 /nfs/dbraw/zinc/39/41/07/1069394107.db2.gz ILEIKHZUIQMALQ-QHCPKHFHSA-N 1 1 482.673 3.489 20 0 JGADMO CC[C@H](Cn1c(N2CCCN(C(C)=O)CC2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001305849313 1069401085 /nfs/dbraw/zinc/40/10/85/1069401085.db2.gz FUDKLWOSYUVQAZ-HSZRJFAPSA-N 1 1 452.647 3.471 20 0 JGADMO CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305849879 1069402256 /nfs/dbraw/zinc/40/22/56/1069402256.db2.gz VMVWDBNFWIKYKD-NHCUHLMSSA-N 1 1 457.619 3.235 20 0 JGADMO CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305849879 1069402260 /nfs/dbraw/zinc/40/22/60/1069402260.db2.gz VMVWDBNFWIKYKD-NHCUHLMSSA-N 1 1 457.619 3.235 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCCOC)C1 ZINC001305874497 1069427619 /nfs/dbraw/zinc/42/76/19/1069427619.db2.gz MIAAJPZDNKXZDD-CJFMBICVSA-N 1 1 494.681 3.181 20 0 JGADMO CC[C@@]1(C)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCCOC)C1 ZINC001305874501 1069428444 /nfs/dbraw/zinc/42/84/44/1069428444.db2.gz MIAAJPZDNKXZDD-NLFFAJNJSA-N 1 1 494.681 3.181 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001305875331 1069428909 /nfs/dbraw/zinc/42/89/09/1069428909.db2.gz PXZCOOAIZGNXTJ-SXWKCWPCSA-N 1 1 451.681 3.461 20 0 JGADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001305883003 1069436484 /nfs/dbraw/zinc/43/64/84/1069436484.db2.gz QAJGEELSDQZZCV-XLNZFTOWSA-N 1 1 455.607 3.051 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305883151 1069436734 /nfs/dbraw/zinc/43/67/34/1069436734.db2.gz FBVTYBOYJZUYAU-QFIPXVFZSA-N 1 1 495.466 3.162 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305885997 1069441841 /nfs/dbraw/zinc/44/18/41/1069441841.db2.gz MOILXVJMSBSWSG-DFIYOIEZSA-N 1 1 457.619 3.458 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001305885867 1069441869 /nfs/dbraw/zinc/44/18/69/1069441869.db2.gz LNENMCOGHGDILW-BWKNWUBXSA-N 1 1 472.609 3.032 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305885684 1069441280 /nfs/dbraw/zinc/44/12/80/1069441280.db2.gz OQSYKJRQEMSOOI-OAQYLSRUSA-N 1 1 481.439 3.152 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001305892550 1069449775 /nfs/dbraw/zinc/44/97/75/1069449775.db2.gz YIAHJGRWRSOKAV-OFVILXPXSA-N 1 1 459.610 3.250 20 0 JGADMO CCC1(CC)CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305895319 1069452916 /nfs/dbraw/zinc/45/29/16/1069452916.db2.gz HQMNEHGBOJKJED-BGYRXZFFSA-N 1 1 460.667 3.305 20 0 JGADMO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+]2CCCO)CCS1 ZINC001305898575 1069456459 /nfs/dbraw/zinc/45/64/59/1069456459.db2.gz PZSSFLDDPFPZFS-NRFANRHFSA-N 1 1 475.707 3.099 20 0 JGADMO CCc1ccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC001305914679 1069469820 /nfs/dbraw/zinc/46/98/20/1069469820.db2.gz DUXHDMPVBBDATF-HSZRJFAPSA-N 1 1 482.654 3.219 20 0 JGADMO CCc1ccc([C@H](Cn2c(N(CC)[C@@H]3CCS(=O)(=O)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001305917560 1069472614 /nfs/dbraw/zinc/47/26/14/1069472614.db2.gz ALHYIBNAEOUITC-RTWAWAEBSA-N 1 1 461.676 3.454 20 0 JGADMO CCc1ccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001305919112 1069474175 /nfs/dbraw/zinc/47/41/75/1069474175.db2.gz HSFCUPRHCNCFRR-DDJHWDJXSA-N 1 1 482.673 3.238 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001298218446 1064132156 /nfs/dbraw/zinc/13/21/56/1064132156.db2.gz LPZIHFVBRLHLET-KRWDZBQOSA-N 1 1 469.565 3.121 20 0 JGADMO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298220371 1064134248 /nfs/dbraw/zinc/13/42/48/1064134248.db2.gz KYPKCADKOAHNFM-UHFFFAOYSA-N 1 1 490.599 3.475 20 0 JGADMO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(CC2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001298220371 1064134254 /nfs/dbraw/zinc/13/42/54/1064134254.db2.gz KYPKCADKOAHNFM-UHFFFAOYSA-N 1 1 490.599 3.475 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CCC(=O)NC1CCCCC1 ZINC001298235440 1064140846 /nfs/dbraw/zinc/14/08/46/1064140846.db2.gz DUDDPSHHIXWNJS-UHFFFAOYSA-N 1 1 462.683 3.209 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC2CCCC2)n1CCn1cc(Cl)cn1 ZINC001298238937 1064142766 /nfs/dbraw/zinc/14/27/66/1064142766.db2.gz BZQPPLJUYRZSMR-UHFFFAOYSA-N 1 1 464.058 3.356 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCCOC(F)(F)F ZINC001298238855 1064142887 /nfs/dbraw/zinc/14/28/87/1064142887.db2.gz BFPROVHHJVGPEW-QGZVFWFLSA-N 1 1 463.545 3.241 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CCc2ccccc2)n1C[C@]1(C)CCCO1 ZINC001298238955 1064143397 /nfs/dbraw/zinc/14/33/97/1064143397.db2.gz CHKODUIHYPYURQ-SANMLTNESA-N 1 1 455.647 3.427 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1CCc1cccnc1 ZINC001298239238 1064143492 /nfs/dbraw/zinc/14/34/92/1064143492.db2.gz GJYGWVZKPJGSEC-UHFFFAOYSA-N 1 1 454.644 3.363 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CC1CCC(F)(F)CC1 ZINC001298239751 1064144093 /nfs/dbraw/zinc/14/40/93/1064144093.db2.gz KEIWAPVNRPVTJB-IBGZPJMESA-N 1 1 455.594 3.402 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CC1CCC(F)(F)CC1 ZINC001298239756 1064144105 /nfs/dbraw/zinc/14/41/05/1064144105.db2.gz KEIWAPVNRPVTJB-LJQANCHMSA-N 1 1 455.594 3.402 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001298250507 1064150094 /nfs/dbraw/zinc/15/00/94/1064150094.db2.gz YCCKVECNRKPBQJ-ZQIUZPCESA-N 1 1 456.538 3.372 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001298250489 1064150176 /nfs/dbraw/zinc/15/01/76/1064150176.db2.gz XMTZLSKITVCQSX-IBGZPJMESA-N 1 1 467.540 3.126 20 0 JGADMO CN(Cc1cc(Cl)ccn1)c1nnc(C(C)(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001298262818 1064157846 /nfs/dbraw/zinc/15/78/46/1064157846.db2.gz UDDPDDDOYAVGAQ-JOCHJYFZSA-N 1 1 465.067 3.468 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298328072 1064203329 /nfs/dbraw/zinc/20/33/29/1064203329.db2.gz DITIZIWSXBGHSF-IBGZPJMESA-N 1 1 480.579 3.463 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298328072 1064203335 /nfs/dbraw/zinc/20/33/35/1064203335.db2.gz DITIZIWSXBGHSF-IBGZPJMESA-N 1 1 480.579 3.463 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298328072 1064203340 /nfs/dbraw/zinc/20/33/40/1064203340.db2.gz DITIZIWSXBGHSF-IBGZPJMESA-N 1 1 480.579 3.463 20 0 JGADMO COc1ccc(Br)cc1-c1ncc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)s1 ZINC001298328121 1064203729 /nfs/dbraw/zinc/20/37/29/1064203729.db2.gz NFQMFANBVSHMBD-CQSZACIVSA-N 1 1 454.390 3.158 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298330607 1064205684 /nfs/dbraw/zinc/20/56/84/1064205684.db2.gz DTIHLXDMSPZXFL-FQEVSTJZSA-N 1 1 461.054 3.488 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298330607 1064205693 /nfs/dbraw/zinc/20/56/93/1064205693.db2.gz DTIHLXDMSPZXFL-FQEVSTJZSA-N 1 1 461.054 3.488 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298330607 1064205698 /nfs/dbraw/zinc/20/56/98/1064205698.db2.gz DTIHLXDMSPZXFL-FQEVSTJZSA-N 1 1 461.054 3.488 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)C1 ZINC001298349229 1064213215 /nfs/dbraw/zinc/21/32/15/1064213215.db2.gz BITHMWUUTZVYRS-FGZHOGPDSA-N 1 1 468.646 3.045 20 0 JGADMO CN(Cc1ccccc1Br)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298350321 1064213759 /nfs/dbraw/zinc/21/37/59/1064213759.db2.gz HQFRGHXYKBJRCA-GOSISDBHSA-N 1 1 478.435 3.292 20 0 JGADMO CN(Cc1ccccc1Br)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298350321 1064213770 /nfs/dbraw/zinc/21/37/70/1064213770.db2.gz HQFRGHXYKBJRCA-GOSISDBHSA-N 1 1 478.435 3.292 20 0 JGADMO CN(Cc1ccccc1Br)c1nnc(-c2cccn2C)n1CCC[NH+]1CCOCC1 ZINC001298351009 1064214758 /nfs/dbraw/zinc/21/47/58/1064214758.db2.gz PNFUEYIXGOVYKQ-UHFFFAOYSA-N 1 1 473.419 3.405 20 0 JGADMO CN(Cc1ccccc1C(F)(F)F)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCOCC1 ZINC001298354904 1064217176 /nfs/dbraw/zinc/21/71/76/1064217176.db2.gz TXPYPAQUTXSWRC-UHFFFAOYSA-N 1 1 463.508 3.056 20 0 JGADMO CN(Cc1ccccc1Cl)c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298355355 1064217615 /nfs/dbraw/zinc/21/76/15/1064217615.db2.gz WYVIWBJHDGMTJV-IBGZPJMESA-N 1 1 455.994 3.262 20 0 JGADMO CN(Cc1ccccn1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298364589 1064220835 /nfs/dbraw/zinc/22/08/35/1064220835.db2.gz CREULYIDLHBJGQ-UHFFFAOYSA-N 1 1 455.010 3.051 20 0 JGADMO CN(Cc1ccccn1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298364589 1064220841 /nfs/dbraw/zinc/22/08/41/1064220841.db2.gz CREULYIDLHBJGQ-UHFFFAOYSA-N 1 1 455.010 3.051 20 0 JGADMO CN(Cc1ccccn1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298364589 1064220847 /nfs/dbraw/zinc/22/08/47/1064220847.db2.gz CREULYIDLHBJGQ-UHFFFAOYSA-N 1 1 455.010 3.051 20 0 JGADMO CN(Cc1ccccn1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298375453 1064223657 /nfs/dbraw/zinc/22/36/57/1064223657.db2.gz ZZOUVIQHNITHNW-JOCHJYFZSA-N 1 1 455.006 3.401 20 0 JGADMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC001298377116 1064225336 /nfs/dbraw/zinc/22/53/36/1064225336.db2.gz KBUABYYYVIUPIS-DNVCBOLYSA-N 1 1 458.356 3.243 20 0 JGADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001298378634 1064225851 /nfs/dbraw/zinc/22/58/51/1064225851.db2.gz MILJAWNPBPGCEO-XMMPIXPASA-N 1 1 457.640 3.280 20 0 JGADMO CN(Cc1cnn(C)c1)c1nnc(-c2cccc(Cl)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298392182 1064230282 /nfs/dbraw/zinc/23/02/82/1064230282.db2.gz PKMVPSMOLHBHLV-NRFANRHFSA-N 1 1 458.010 3.205 20 0 JGADMO O=C(CNC(=O)c1cccc(O)c1)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298395557 1064231221 /nfs/dbraw/zinc/23/12/21/1064231221.db2.gz LMHFVRIFHXGLLE-DEOSSOPVSA-N 1 1 458.562 3.210 20 0 JGADMO CNC(=O)Oc1cccc(NC(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001298399638 1064234755 /nfs/dbraw/zinc/23/47/55/1064234755.db2.gz JUPIUUJKOAXVGZ-HXUWFJFHSA-N 1 1 456.543 3.369 20 0 JGADMO CN(Cc1ccoc1)c1nnc(COc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298420874 1064244519 /nfs/dbraw/zinc/24/45/19/1064244519.db2.gz FMXNQMNOOFNBBI-UHFFFAOYSA-N 1 1 456.566 3.252 20 0 JGADMO C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1=O ZINC001298424146 1064245992 /nfs/dbraw/zinc/24/59/92/1064245992.db2.gz DWKYDIPRWAWQDS-CYFREDJKSA-N 1 1 452.574 3.055 20 0 JGADMO C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1=O ZINC001298424149 1064246281 /nfs/dbraw/zinc/24/62/81/1064246281.db2.gz DWKYDIPRWAWQDS-DVECYGJZSA-N 1 1 452.574 3.055 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc(CC(C)(C)C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298462048 1064263171 /nfs/dbraw/zinc/26/31/71/1064263171.db2.gz FMPFWYRVZGWTIK-MRXNPFEDSA-N 1 1 452.598 3.480 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccccc2F)n1CC[N@@H+](C)C1CCCC1 ZINC001298462561 1064264184 /nfs/dbraw/zinc/26/41/84/1064264184.db2.gz SGCFOCKIHBLDBW-UHFFFAOYSA-N 1 1 462.524 3.452 20 0 JGADMO CN(C[C@@H]1CC=CCC1)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298508216 1064283691 /nfs/dbraw/zinc/28/36/91/1064283691.db2.gz ALUYHGOFTJQTGI-LJQANCHMSA-N 1 1 472.659 3.173 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1CCOCC1 ZINC001298554492 1064320582 /nfs/dbraw/zinc/32/05/82/1064320582.db2.gz FUBWONOPHNCYNJ-KRWDZBQOSA-N 1 1 451.974 3.323 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298561346 1064328872 /nfs/dbraw/zinc/32/88/72/1064328872.db2.gz YGKVCDLZJWICOP-IBGZPJMESA-N 1 1 474.675 3.254 20 0 JGADMO CN(C[C@H]1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298564472 1064333110 /nfs/dbraw/zinc/33/31/10/1064333110.db2.gz JOJVYKSKPDTCIX-OAQYLSRUSA-N 1 1 484.645 3.361 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001298571383 1064345367 /nfs/dbraw/zinc/34/53/67/1064345367.db2.gz NODGLZLMOKBNMI-MRXNPFEDSA-N 1 1 451.974 3.321 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001298571383 1064345383 /nfs/dbraw/zinc/34/53/83/1064345383.db2.gz NODGLZLMOKBNMI-MRXNPFEDSA-N 1 1 451.974 3.321 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298591387 1064365008 /nfs/dbraw/zinc/36/50/08/1064365008.db2.gz FLIATMDPCCMKKV-HNNXBMFYSA-N 1 1 453.513 3.434 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(Cc2ccccn2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001298600975 1064375242 /nfs/dbraw/zinc/37/52/42/1064375242.db2.gz WVVZMPIMFACLMC-UHFFFAOYSA-N 1 1 488.562 3.260 20 0 JGADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CCC(F)F)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001298601690 1064376564 /nfs/dbraw/zinc/37/65/64/1064376564.db2.gz MXQGQCDHEKANML-UHFFFAOYSA-N 1 1 498.644 3.409 20 0 JGADMO CN(CCC(F)F)c1nnc(Cc2c(F)cccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298609446 1064381433 /nfs/dbraw/zinc/38/14/33/1064381433.db2.gz SESUYTUCJLZOAK-UHFFFAOYSA-N 1 1 456.532 3.265 20 0 JGADMO CN(CCC(F)F)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298609446 1064381446 /nfs/dbraw/zinc/38/14/46/1064381446.db2.gz SESUYTUCJLZOAK-UHFFFAOYSA-N 1 1 456.532 3.265 20 0 JGADMO CN(CCC(F)F)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298609446 1064381455 /nfs/dbraw/zinc/38/14/55/1064381455.db2.gz SESUYTUCJLZOAK-UHFFFAOYSA-N 1 1 456.532 3.265 20 0 JGADMO CN(CCc1ccc(Cl)cc1)c1nnc(-c2cnccn2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298612246 1064383852 /nfs/dbraw/zinc/38/38/52/1064383852.db2.gz KNIKREJJOBLYSR-UHFFFAOYSA-N 1 1 455.994 3.178 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298649522 1064424525 /nfs/dbraw/zinc/42/45/25/1064424525.db2.gz VLHPWHOTUVOIGJ-UHFFFAOYSA-N 1 1 455.647 3.427 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(CCc2ccccc2)n1CC[N@H+]1CCOCC1(C)C ZINC001298649522 1064424530 /nfs/dbraw/zinc/42/45/30/1064424530.db2.gz VLHPWHOTUVOIGJ-UHFFFAOYSA-N 1 1 455.647 3.427 20 0 JGADMO C[N@@H+](CCCn1c(-c2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1)C1CCCCC1 ZINC001298666985 1064446306 /nfs/dbraw/zinc/44/63/06/1064446306.db2.gz SKEZQKIWSFEBSY-UHFFFAOYSA-N 1 1 472.609 3.210 20 0 JGADMO C[N@@H+](CCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298672267 1064457212 /nfs/dbraw/zinc/45/72/12/1064457212.db2.gz RWGGNNMSGSCRAC-UNMCSNQZSA-N 1 1 481.707 3.230 20 0 JGADMO CN(CCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)CC(F)(F)F ZINC001298674245 1064459951 /nfs/dbraw/zinc/45/99/51/1064459951.db2.gz LRCSDGMAQKLLMS-HSZRJFAPSA-N 1 1 498.569 3.193 20 0 JGADMO CN(CCCn1c(CCc2ccccc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)CC(F)(F)F ZINC001298675397 1064463725 /nfs/dbraw/zinc/46/37/25/1064463725.db2.gz HDUZYXGOXJVCBO-DEOSSOPVSA-N 1 1 494.606 3.249 20 0 JGADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(N2CCSCC2)nnc1C(C)(C)C ZINC001298684151 1064479402 /nfs/dbraw/zinc/47/94/02/1064479402.db2.gz SHVHRUPUPGIZOD-UHFFFAOYSA-N 1 1 454.685 3.366 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(C2CCC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001298689677 1064486664 /nfs/dbraw/zinc/48/66/64/1064486664.db2.gz FDQNPIXLVZOPDT-SFHVURJKSA-N 1 1 451.662 3.315 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001298696022 1064495519 /nfs/dbraw/zinc/49/55/19/1064495519.db2.gz JERCMFHQPOYMJQ-QWFCFKBJSA-N 1 1 481.688 3.145 20 0 JGADMO CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC001298697382 1064499126 /nfs/dbraw/zinc/49/91/26/1064499126.db2.gz FIBOTRWYYZTHOR-UHFFFAOYSA-N 1 1 490.656 3.368 20 0 JGADMO CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC001298697382 1064499145 /nfs/dbraw/zinc/49/91/45/1064499145.db2.gz FIBOTRWYYZTHOR-UHFFFAOYSA-N 1 1 490.656 3.368 20 0 JGADMO C[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)F)C1)Cc1ccc(F)cc1 ZINC001298697825 1064500419 /nfs/dbraw/zinc/50/04/19/1064500419.db2.gz JRSHJWAKZNNWBJ-SFHVURJKSA-N 1 1 464.536 3.267 20 0 JGADMO CN(C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCCC2)CC1)S(C)(=O)=O ZINC001298698594 1064501815 /nfs/dbraw/zinc/50/18/15/1064501815.db2.gz VLIYNRPTCHSKQS-UHFFFAOYSA-N 1 1 474.675 3.070 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC(N)=O)CC1)C1CCCC1 ZINC001298698605 1064501974 /nfs/dbraw/zinc/50/19/74/1064501974.db2.gz VQAWQOUSSDELMY-UHFFFAOYSA-N 1 1 479.000 3.083 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC001298703852 1064505274 /nfs/dbraw/zinc/50/52/74/1064505274.db2.gz AUVQLVRVFCNDAI-UHFFFAOYSA-N 1 1 461.536 3.480 20 0 JGADMO Cn1cc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)cn1 ZINC001298703880 1064505338 /nfs/dbraw/zinc/50/53/38/1064505338.db2.gz BZLQUSAFGYECNS-LJQANCHMSA-N 1 1 472.638 3.047 20 0 JGADMO Cn1cc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)cn1 ZINC001298704000 1064505921 /nfs/dbraw/zinc/50/59/21/1064505921.db2.gz HOFDQYXHMUQCGA-IBGZPJMESA-N 1 1 486.665 3.294 20 0 JGADMO CN(CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001298704713 1064508124 /nfs/dbraw/zinc/50/81/24/1064508124.db2.gz XBLWHZKDVWJOSN-LJQANCHMSA-N 1 1 461.536 3.478 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001298705385 1064510237 /nfs/dbraw/zinc/51/02/37/1064510237.db2.gz GUBCUNFNNRVCHJ-UHFFFAOYSA-N 1 1 492.525 3.081 20 0 JGADMO CN(CCn1c(-c2cccn2C)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)CC(F)(F)F ZINC001298705429 1064510391 /nfs/dbraw/zinc/51/03/91/1064510391.db2.gz USIWFQRHKUPZPI-HXUWFJFHSA-N 1 1 475.563 3.488 20 0 JGADMO C[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)Cc1ccccc1 ZINC001298705868 1064511469 /nfs/dbraw/zinc/51/14/69/1064511469.db2.gz LXEDZSKOMNWENW-QFIPXVFZSA-N 1 1 490.656 3.246 20 0 JGADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O ZINC001298706314 1064512176 /nfs/dbraw/zinc/51/21/76/1064512176.db2.gz SGTMOVQPJREENO-JLTOFOAXSA-N 1 1 451.409 3.214 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCCO2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298708600 1064514576 /nfs/dbraw/zinc/51/45/76/1064514576.db2.gz MUPKTAZNQQSXQK-HXUWFJFHSA-N 1 1 460.598 3.142 20 0 JGADMO CN(CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2ccsc2)CC1)CC(F)(F)F ZINC001298712328 1064519367 /nfs/dbraw/zinc/51/93/67/1064519367.db2.gz NIOLITKBMLMAIY-UHFFFAOYSA-N 1 1 479.576 3.142 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001298712948 1064520680 /nfs/dbraw/zinc/52/06/80/1064520680.db2.gz DBMBNZRINVEFGN-NHCUHLMSSA-N 1 1 474.694 3.425 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC001298714213 1064523306 /nfs/dbraw/zinc/52/33/06/1064523306.db2.gz LGKTWWGWQGRBLJ-DLBZAZTESA-N 1 1 477.597 3.223 20 0 JGADMO CN(CCn1c([C@H]2CCOC2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001298715069 1064524510 /nfs/dbraw/zinc/52/45/10/1064524510.db2.gz SFJLNVAVWCOZBP-VXKWHMMOSA-N 1 1 484.645 3.360 20 0 JGADMO CN(CCn1c(CCc2ccccc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298716423 1064525654 /nfs/dbraw/zinc/52/56/54/1064525654.db2.gz BNNGITJQVZLEAD-HHHXNRCGSA-N 1 1 498.672 3.231 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCSC1(C)C ZINC001298727142 1064535374 /nfs/dbraw/zinc/53/53/74/1064535374.db2.gz BSGYQFYQQNMDQP-GOSISDBHSA-N 1 1 487.674 3.004 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCSC1(C)C ZINC001298727142 1064535391 /nfs/dbraw/zinc/53/53/91/1064535391.db2.gz BSGYQFYQQNMDQP-GOSISDBHSA-N 1 1 487.674 3.004 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1ccnc(OC(F)F)c1 ZINC001298727241 1064536329 /nfs/dbraw/zinc/53/63/29/1064536329.db2.gz DFLOCQHLSXQRHG-UHFFFAOYSA-N 1 1 452.550 3.167 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1ccnc(OC(F)F)c1 ZINC001298727241 1064536340 /nfs/dbraw/zinc/53/63/40/1064536340.db2.gz DFLOCQHLSXQRHG-UHFFFAOYSA-N 1 1 452.550 3.167 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2)n1CCC(=O)NC1CCCCC1 ZINC001298727509 1064536865 /nfs/dbraw/zinc/53/68/65/1064536865.db2.gz FOYZUIUENHSBDV-UHFFFAOYSA-N 1 1 468.646 3.331 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2)n1CCC(=O)NC1CCCCC1 ZINC001298727509 1064536877 /nfs/dbraw/zinc/53/68/77/1064536877.db2.gz FOYZUIUENHSBDV-UHFFFAOYSA-N 1 1 468.646 3.331 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCCOc1ccc(F)cc1 ZINC001298728586 1064541644 /nfs/dbraw/zinc/54/16/44/1064541644.db2.gz XKRUJYNWEUZVJJ-UHFFFAOYSA-N 1 1 456.566 3.428 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCCOc1ccc(F)cc1 ZINC001298728586 1064541656 /nfs/dbraw/zinc/54/16/56/1064541656.db2.gz XKRUJYNWEUZVJJ-UHFFFAOYSA-N 1 1 456.566 3.428 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1CCOCc1ccccc1 ZINC001298728839 1064543209 /nfs/dbraw/zinc/54/32/09/1064543209.db2.gz BNXGADFPGORVFG-JOCHJYFZSA-N 1 1 457.619 3.284 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1CCOCc1ccccc1 ZINC001298728839 1064543224 /nfs/dbraw/zinc/54/32/24/1064543224.db2.gz BNXGADFPGORVFG-JOCHJYFZSA-N 1 1 457.619 3.284 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1CCC[C@@H]1CCCCO1 ZINC001298729441 1064544007 /nfs/dbraw/zinc/54/40/07/1064544007.db2.gz JZCASTKZUDAJMC-QFIPXVFZSA-N 1 1 456.635 3.160 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccn2)n1CCC[C@@H]1CCCCO1 ZINC001298729441 1064544021 /nfs/dbraw/zinc/54/40/21/1064544021.db2.gz JZCASTKZUDAJMC-QFIPXVFZSA-N 1 1 456.635 3.160 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@@H]1CSCCS1 ZINC001298733399 1064549132 /nfs/dbraw/zinc/54/91/32/1064549132.db2.gz OYOSGGICUJWXJH-OAQYLSRUSA-N 1 1 475.728 3.459 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@@H]1CSCCS1 ZINC001298733399 1064549142 /nfs/dbraw/zinc/54/91/42/1064549142.db2.gz OYOSGGICUJWXJH-OAQYLSRUSA-N 1 1 475.728 3.459 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298749619 1064560702 /nfs/dbraw/zinc/56/07/02/1064560702.db2.gz DMOKISQTKNUREC-JOCHJYFZSA-N 1 1 465.646 3.495 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(-c2ccccn2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298752906 1064562162 /nfs/dbraw/zinc/56/21/62/1064562162.db2.gz DTPIICOPEIWIFV-UHFFFAOYSA-N 1 1 477.657 3.409 20 0 JGADMO CN(CCOc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298769209 1064577050 /nfs/dbraw/zinc/57/70/50/1064577050.db2.gz VMTAIINEQLFVJR-UHFFFAOYSA-N 1 1 468.577 3.029 20 0 JGADMO CN(CCOc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298769209 1064577061 /nfs/dbraw/zinc/57/70/61/1064577061.db2.gz VMTAIINEQLFVJR-UHFFFAOYSA-N 1 1 468.577 3.029 20 0 JGADMO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001298775526 1064580464 /nfs/dbraw/zinc/58/04/64/1064580464.db2.gz KULGYMAISGVEJH-SFHVURJKSA-N 1 1 470.643 3.183 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(C(C)(C)C)n1CCc1cccc(C(N)=O)c1 ZINC001298781708 1064585198 /nfs/dbraw/zinc/58/51/98/1064585198.db2.gz GVESDDGQGVALNI-JTHBVZDNSA-N 1 1 492.672 3.170 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)O ZINC001298782031 1064585707 /nfs/dbraw/zinc/58/57/07/1064585707.db2.gz LAWGUJVQMJTLOR-FXAWDEMLSA-N 1 1 473.025 3.017 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC(C)(C)O ZINC001298801908 1064599946 /nfs/dbraw/zinc/59/99/46/1064599946.db2.gz SOSATDFTQWUZCH-UHFFFAOYSA-N 1 1 479.448 3.201 20 0 JGADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC1)n2C ZINC001298822241 1064623785 /nfs/dbraw/zinc/62/37/85/1064623785.db2.gz JCILUALYZTYJAL-KRWDZBQOSA-N 1 1 456.591 3.144 20 0 JGADMO Cc1cc(CNC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)cc(N2CCCC2)[nH+]1 ZINC001298839578 1064641297 /nfs/dbraw/zinc/64/12/97/1064641297.db2.gz IOCHOFSFDVXZGR-UHFFFAOYSA-N 1 1 451.552 3.264 20 0 JGADMO Cn1cc(Nc2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)cn1 ZINC001298840787 1064643061 /nfs/dbraw/zinc/64/30/61/1064643061.db2.gz PJCWZZMNCGFJIF-UHFFFAOYSA-N 1 1 453.591 3.354 20 0 JGADMO Cn1cccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001298852388 1064654924 /nfs/dbraw/zinc/65/49/24/1064654924.db2.gz IKJWIPGRCSQHLO-NRFANRHFSA-N 1 1 452.525 3.075 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(F)(F)CC2)C1 ZINC001298878735 1064684019 /nfs/dbraw/zinc/68/40/19/1064684019.db2.gz LSBKCZRXUZRFOT-GOSISDBHSA-N 1 1 474.325 3.149 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001298878749 1064684206 /nfs/dbraw/zinc/68/42/06/1064684206.db2.gz LXCNDQCBHXCLGY-DNQXCXABSA-N 1 1 479.572 3.255 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001298879969 1064685743 /nfs/dbraw/zinc/68/57/43/1064685743.db2.gz TUJQISDIUYOEOH-SFTDATJTSA-N 1 1 498.491 3.477 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298880935 1064686767 /nfs/dbraw/zinc/68/67/67/1064686767.db2.gz YEAFKVDPAMCNBD-DVECYGJZSA-N 1 1 491.036 3.159 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298881225 1064687572 /nfs/dbraw/zinc/68/75/72/1064687572.db2.gz DIODNUFKUKXAAS-VGOFRKELSA-N 1 1 466.051 3.153 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001298885234 1064691250 /nfs/dbraw/zinc/69/12/50/1064691250.db2.gz HXGYICCCQDUSKC-QGZVFWFLSA-N 1 1 471.547 3.416 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCSc2ccccc2)CC1 ZINC001298885680 1064692201 /nfs/dbraw/zinc/69/22/01/1064692201.db2.gz ATVRHCDRFKXJOY-HXUWFJFHSA-N 1 1 456.660 3.111 20 0 JGADMO C[C@@H]1[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@H+]1Cc1ccccc1 ZINC001298885983 1064692869 /nfs/dbraw/zinc/69/28/69/1064692869.db2.gz HQRVTAGCLTWCGG-ZBFHGGJFSA-N 1 1 450.402 3.362 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001298886317 1064693822 /nfs/dbraw/zinc/69/38/22/1064693822.db2.gz FNJCQTWLSSAABF-YADHBBJMSA-N 1 1 452.647 3.276 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(F)F)CC1 ZINC001298886165 1064694025 /nfs/dbraw/zinc/69/40/25/1064694025.db2.gz DQGPQPKBJKZAGW-LJQANCHMSA-N 1 1 496.990 3.299 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298886812 1064695724 /nfs/dbraw/zinc/69/57/24/1064695724.db2.gz HNLGJYLFTRSGPT-IBGZPJMESA-N 1 1 465.689 3.064 20 0 JGADMO CN(CCCOCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298887999 1064697426 /nfs/dbraw/zinc/69/74/26/1064697426.db2.gz ZMPWQHQGSVJALG-AZSVPQILSA-N 1 1 485.673 3.306 20 0 JGADMO CC(C)Cc1ccc([C@@H](CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)[NH+](C)C)cc1 ZINC001298897690 1064703792 /nfs/dbraw/zinc/70/37/92/1064703792.db2.gz IFMJYRYJQSGUJP-OAQYLSRUSA-N 1 1 452.530 3.105 20 0 JGADMO C[N@H+]1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)CC1(C)C ZINC001298898159 1064704550 /nfs/dbraw/zinc/70/45/50/1064704550.db2.gz SWGBTLMLGXLOON-MRXNPFEDSA-N 1 1 457.450 3.097 20 0 JGADMO CN1CC[N@H+](CCn2c([C@@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)CC1(C)C ZINC001298898159 1064704558 /nfs/dbraw/zinc/70/45/58/1064704558.db2.gz SWGBTLMLGXLOON-MRXNPFEDSA-N 1 1 457.450 3.097 20 0 JGADMO CN1CC[N@@H+](CCn2c([C@@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)CC1(C)C ZINC001298898159 1064704571 /nfs/dbraw/zinc/70/45/71/1064704571.db2.gz SWGBTLMLGXLOON-MRXNPFEDSA-N 1 1 457.450 3.097 20 0 JGADMO C[N@H+]1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298899156 1064704868 /nfs/dbraw/zinc/70/48/68/1064704868.db2.gz ZXTVHISZYIEDBT-FQEVSTJZSA-N 1 1 460.692 3.208 20 0 JGADMO CN1CC[N@H+](CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298899156 1064704872 /nfs/dbraw/zinc/70/48/72/1064704872.db2.gz ZXTVHISZYIEDBT-FQEVSTJZSA-N 1 1 460.692 3.208 20 0 JGADMO CN1CC[N@@H+](CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298899156 1064704888 /nfs/dbraw/zinc/70/48/88/1064704888.db2.gz ZXTVHISZYIEDBT-FQEVSTJZSA-N 1 1 460.692 3.208 20 0 JGADMO C[N@H+]1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001298899162 1064705367 /nfs/dbraw/zinc/70/53/67/1064705367.db2.gz ZXTVHISZYIEDBT-HXUWFJFHSA-N 1 1 460.692 3.208 20 0 JGADMO CN1CC[N@H+](CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001298899162 1064705381 /nfs/dbraw/zinc/70/53/81/1064705381.db2.gz ZXTVHISZYIEDBT-HXUWFJFHSA-N 1 1 460.692 3.208 20 0 JGADMO CN1CC[N@@H+](CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001298899162 1064705395 /nfs/dbraw/zinc/70/53/95/1064705395.db2.gz ZXTVHISZYIEDBT-HXUWFJFHSA-N 1 1 460.692 3.208 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001298914705 1064713994 /nfs/dbraw/zinc/71/39/94/1064713994.db2.gz CCBYHIRFHNJGNT-QZTJIDSGSA-N 1 1 493.052 3.001 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001298938670 1064732845 /nfs/dbraw/zinc/73/28/45/1064732845.db2.gz CKTGYIYMFFDVRL-UHFFFAOYSA-N 1 1 468.646 3.104 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001298942584 1064734882 /nfs/dbraw/zinc/73/48/82/1064734882.db2.gz SCVDJBVRIYTFRJ-OAQYLSRUSA-N 1 1 475.641 3.137 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001298952743 1064743913 /nfs/dbraw/zinc/74/39/13/1064743913.db2.gz GDEAAIYHHMVDPT-AABGKKOBSA-N 1 1 474.625 3.496 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CC=CCC1 ZINC001298952537 1064744102 /nfs/dbraw/zinc/74/41/02/1064744102.db2.gz DSCPUJXPPQWMOE-CTNGQTDRSA-N 1 1 454.619 3.115 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001298962643 1064749954 /nfs/dbraw/zinc/74/99/54/1064749954.db2.gz AWCCQDUMQMGGED-CABCVRRESA-N 1 1 483.480 3.319 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001298968361 1064758981 /nfs/dbraw/zinc/75/89/81/1064758981.db2.gz YDYJMCGXAVISNM-MSOLQXFVSA-N 1 1 462.042 3.466 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001299002762 1064782173 /nfs/dbraw/zinc/78/21/73/1064782173.db2.gz NLDLJZUVSPNYCR-VQTJNVASSA-N 1 1 458.676 3.429 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001299003289 1064782652 /nfs/dbraw/zinc/78/26/52/1064782652.db2.gz RYWTWHAMKKAFFX-QIJUGHKUSA-N 1 1 470.662 3.413 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001299004839 1064786498 /nfs/dbraw/zinc/78/64/98/1064786498.db2.gz GVHFGNVYYXPIRM-KSFYIVLOSA-N 1 1 475.435 3.154 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299008481 1064792851 /nfs/dbraw/zinc/79/28/51/1064792851.db2.gz UIJHOACFZUXLKK-HOYKHHGWSA-N 1 1 460.598 3.250 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001299012382 1064795331 /nfs/dbraw/zinc/79/53/31/1064795331.db2.gz FKXPXADNMMVRPY-AFMDSPMNSA-N 1 1 484.645 3.188 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001299016268 1064800656 /nfs/dbraw/zinc/80/06/56/1064800656.db2.gz WUXJCAORWFIMOD-SIBVEZHUSA-N 1 1 484.645 3.045 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001299028252 1064812330 /nfs/dbraw/zinc/81/23/30/1064812330.db2.gz JOCSTCYWJFXENJ-BWKNWUBXSA-N 1 1 482.032 3.183 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299034709 1064824325 /nfs/dbraw/zinc/82/43/25/1064824325.db2.gz YWYXQAZQFGQUBG-FQRUVTKNSA-N 1 1 468.646 3.168 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001299066835 1064862789 /nfs/dbraw/zinc/86/27/89/1064862789.db2.gz LZPYWFPJLDQBIY-TZIWHRDSSA-N 1 1 493.612 3.006 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001299070936 1064869136 /nfs/dbraw/zinc/86/91/36/1064869136.db2.gz BNTPLLXHGNZSKZ-LSDHHAIUSA-N 1 1 481.464 3.216 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001299070934 1064869238 /nfs/dbraw/zinc/86/92/38/1064869238.db2.gz BNTPLLXHGNZSKZ-HUUCEWRRSA-N 1 1 481.464 3.216 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+](C)CCCOC)C1 ZINC001299071118 1064869803 /nfs/dbraw/zinc/86/98/03/1064869803.db2.gz BSWTZNFPXVVSAE-MRXNPFEDSA-N 1 1 483.444 3.183 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001299084303 1064887412 /nfs/dbraw/zinc/88/74/12/1064887412.db2.gz DYMOUIQPLSKAJL-QFIPXVFZSA-N 1 1 452.647 3.278 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299084597 1064888907 /nfs/dbraw/zinc/88/89/07/1064888907.db2.gz FUPMKNZGDZTROP-HXUWFJFHSA-N 1 1 465.602 3.293 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299085341 1064890170 /nfs/dbraw/zinc/89/01/70/1064890170.db2.gz KTWQBXFWGYCHFV-IBGZPJMESA-N 1 1 459.038 3.359 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299089037 1064895037 /nfs/dbraw/zinc/89/50/37/1064895037.db2.gz VFRJDKGLVPOBOD-FUPPJEDESA-N 1 1 482.673 3.028 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299100474 1064906983 /nfs/dbraw/zinc/90/69/83/1064906983.db2.gz NXVXCGKJECKBII-GOTSBHOMSA-N 1 1 482.673 3.496 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001299101900 1064910045 /nfs/dbraw/zinc/91/00/45/1064910045.db2.gz ZBUSQMQRUBVCHP-QZTJIDSGSA-N 1 1 472.659 3.024 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001299108272 1064915326 /nfs/dbraw/zinc/91/53/26/1064915326.db2.gz CUBVPOHRGFCYNA-LJQANCHMSA-N 1 1 454.619 3.181 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001299110757 1064919892 /nfs/dbraw/zinc/91/98/92/1064919892.db2.gz LXALGCOMUGDVOM-UHFFFAOYSA-N 1 1 486.418 3.265 20 0 JGADMO CNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001299119342 1064927607 /nfs/dbraw/zinc/92/76/07/1064927607.db2.gz DZDITZQEGPUXTD-JOCHJYFZSA-N 1 1 452.647 3.146 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001299122920 1064932162 /nfs/dbraw/zinc/93/21/62/1064932162.db2.gz KWUYFTDHBXPVKL-LJQANCHMSA-N 1 1 472.609 3.079 20 0 JGADMO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001299125552 1064933382 /nfs/dbraw/zinc/93/33/82/1064933382.db2.gz AONIJJMLAQLMFT-MAUKXSAKSA-N 1 1 456.450 3.149 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001299133425 1064940998 /nfs/dbraw/zinc/94/09/98/1064940998.db2.gz HKAIQXHFAFRZLB-JXFKEZNVSA-N 1 1 495.455 3.468 20 0 JGADMO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCn2cc[nH+]c2C)CCO1 ZINC001299133437 1064941636 /nfs/dbraw/zinc/94/16/36/1064941636.db2.gz HRITZAMZZIOWNI-JOCHJYFZSA-N 1 1 479.629 3.179 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299134379 1064942240 /nfs/dbraw/zinc/94/22/40/1064942240.db2.gz OWCIXAQAFHKVEI-NRFANRHFSA-N 1 1 475.037 3.204 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3ccccn3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001299756744 1064955249 /nfs/dbraw/zinc/95/52/49/1064955249.db2.gz OUBYZPWSUPHOTH-VWLOTQADSA-N 1 1 455.651 3.009 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001299763551 1064960517 /nfs/dbraw/zinc/96/05/17/1064960517.db2.gz MJIFAILVAJOJNW-YOSAUDMPSA-N 1 1 481.707 3.086 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001299773034 1064972348 /nfs/dbraw/zinc/97/23/48/1064972348.db2.gz LMSJXVWETWRTPJ-SQJMNOBHSA-N 1 1 457.619 3.018 20 0 JGADMO COC1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001299780294 1064979367 /nfs/dbraw/zinc/97/93/67/1064979367.db2.gz SHCLYDOVOSPHIR-UHFFFAOYSA-N 1 1 482.398 3.183 20 0 JGADMO COC1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299781267 1064980485 /nfs/dbraw/zinc/98/04/85/1064980485.db2.gz ZYHUDNUWIQHZJX-UHFFFAOYSA-N 1 1 464.655 3.348 20 0 JGADMO COC1(C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001299784497 1064981706 /nfs/dbraw/zinc/98/17/06/1064981706.db2.gz KIJIOCRGQZFISK-UXHICEINSA-N 1 1 492.665 3.076 20 0 JGADMO COC1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299786801 1064984199 /nfs/dbraw/zinc/98/41/99/1064984199.db2.gz UUQHCXUGOPXWMZ-HDICACEKSA-N 1 1 464.010 3.235 20 0 JGADMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001299789064 1064985543 /nfs/dbraw/zinc/98/55/43/1064985543.db2.gz HXFPSUJSZKDSGX-JOCHJYFZSA-N 1 1 452.020 3.210 20 0 JGADMO COC1(Cn2c(-c3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCCCC1 ZINC001299803040 1065001145 /nfs/dbraw/zinc/00/11/45/1065001145.db2.gz IIABTKUBPJOMQM-UHFFFAOYSA-N 1 1 456.635 3.484 20 0 JGADMO COC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC(C)CC1 ZINC001299809511 1065004662 /nfs/dbraw/zinc/00/46/62/1065004662.db2.gz BUVYHYSHYIMQMM-ITGJCUMNSA-N 1 1 481.707 3.086 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+]2CC=CCC2)cc1OC ZINC001299827471 1065020601 /nfs/dbraw/zinc/02/06/01/1065020601.db2.gz MENIPVGVXDKZHL-UHFFFAOYSA-N 1 1 462.598 3.488 20 0 JGADMO COc1cc(-c2nnc(N(C)C3CCC(C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc(OC)c1OC ZINC001299835922 1065027723 /nfs/dbraw/zinc/02/77/23/1065027723.db2.gz HIRFCRRRGMDOOF-HGEUABKPSA-N 1 1 473.618 3.052 20 0 JGADMO COc1cc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299836522 1065028750 /nfs/dbraw/zinc/02/87/50/1065028750.db2.gz FDHZILYLMLBHEH-MRXNPFEDSA-N 1 1 471.524 3.460 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC(C)C ZINC001299845588 1065045410 /nfs/dbraw/zinc/04/54/10/1065045410.db2.gz AEAIKCBBOYPBFJ-CTNGQTDRSA-N 1 1 484.645 3.173 20 0 JGADMO C[C@@H](Sc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(=O)N1CCCC1 ZINC001299849559 1065052006 /nfs/dbraw/zinc/05/20/06/1065052006.db2.gz WZOQNPGWNLDLCL-UZKOGDIHSA-N 1 1 452.624 3.260 20 0 JGADMO COc1cc(-c2nnc(N3CCCO[C@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC001299854805 1065062829 /nfs/dbraw/zinc/06/28/29/1065062829.db2.gz NKXYFLKXENESJH-RTBURBONSA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CCNC(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC(C)C ZINC001299856567 1065064932 /nfs/dbraw/zinc/06/49/32/1065064932.db2.gz AQZBZRRXPYXPEX-BGYRXZFFSA-N 1 1 484.645 3.045 20 0 JGADMO COc1cc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)C)CC2)ccc1Cl ZINC001299866095 1065083721 /nfs/dbraw/zinc/08/37/21/1065083721.db2.gz NJZATBKKWIFHRU-IBGZPJMESA-N 1 1 461.010 3.054 20 0 JGADMO COc1cc(CN(C)c2nnc(Cc3cccnc3)n2CC[N@H+]2CCC[C@H]2C)cc(OC)c1 ZINC001299877475 1065097204 /nfs/dbraw/zinc/09/72/04/1065097204.db2.gz ZYMLMIQJMWJRPC-LJQANCHMSA-N 1 1 450.587 3.402 20 0 JGADMO COc1cc(Cn2c(C(C)C)nnc2N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc(Cl)c1OC ZINC001299879667 1065099563 /nfs/dbraw/zinc/09/95/63/1065099563.db2.gz YQUNLBRUCYSNMG-QFBILLFUSA-N 1 1 464.010 3.277 20 0 JGADMO COc1cc(Cn2c(C(C)C)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc(Cl)c1OC ZINC001299879664 1065099612 /nfs/dbraw/zinc/09/96/12/1065099612.db2.gz YQUNLBRUCYSNMG-LPHOPBHVSA-N 1 1 464.010 3.277 20 0 JGADMO COc1cc(Cn2c(CC(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(Cl)c1OC ZINC001299886796 1065111142 /nfs/dbraw/zinc/11/11/42/1065111142.db2.gz VJLYCDIEMXXCLR-IBGZPJMESA-N 1 1 478.037 3.497 20 0 JGADMO COc1cc(Cn2c([C@H]3CCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc(OC)c1OC ZINC001299887907 1065112359 /nfs/dbraw/zinc/11/23/59/1065112359.db2.gz NYBWVWPYQMGOSN-IBGZPJMESA-N 1 1 473.618 3.167 20 0 JGADMO COc1cc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CCOC(C)C)CC2)ccc1C ZINC001299890745 1065119828 /nfs/dbraw/zinc/11/98/28/1065119828.db2.gz YQDRSPKTRLOZAO-UHFFFAOYSA-N 1 1 464.614 3.176 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC[C@H](O)C3)CC2)cc(OC)c1 ZINC001299893956 1065123944 /nfs/dbraw/zinc/12/39/44/1065123944.db2.gz ZCMFBGVFCLTUMF-UNMCSNQZSA-N 1 1 471.646 3.367 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)Cc2cnn(C)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001299894616 1065125346 /nfs/dbraw/zinc/12/53/46/1065125346.db2.gz OSQDYAQEIWYCSN-SFHVURJKSA-N 1 1 488.036 3.478 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)Cc2cnn(C)c2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001299895318 1065126458 /nfs/dbraw/zinc/12/64/58/1065126458.db2.gz ONPMHXFQGWIFQE-UHFFFAOYSA-N 1 1 488.036 3.396 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)Cc2cnn(C)c2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001299895318 1065126463 /nfs/dbraw/zinc/12/64/63/1065126463.db2.gz ONPMHXFQGWIFQE-UHFFFAOYSA-N 1 1 488.036 3.396 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001299895214 1065126478 /nfs/dbraw/zinc/12/64/78/1065126478.db2.gz NBUPQNKEOYPUFF-IEBWSBKVSA-N 1 1 496.077 3.351 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001299902991 1065140572 /nfs/dbraw/zinc/14/05/72/1065140572.db2.gz NBPZBMLQPUMASK-IBGZPJMESA-N 1 1 490.052 3.378 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(F)(F)F ZINC001299903184 1065141193 /nfs/dbraw/zinc/14/11/93/1065141193.db2.gz TZYMNMUQAXTEST-AWEZNQCLSA-N 1 1 459.900 3.328 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](OC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001299907446 1065149384 /nfs/dbraw/zinc/14/93/84/1065149384.db2.gz UAIJQJFZCVNYIA-GOSISDBHSA-N 1 1 464.010 3.333 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](OC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001299907446 1065149390 /nfs/dbraw/zinc/14/93/90/1065149390.db2.gz UAIJQJFZCVNYIA-GOSISDBHSA-N 1 1 464.010 3.333 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CC[N@H+](C)C(C)C ZINC001299907601 1065149955 /nfs/dbraw/zinc/14/99/55/1065149955.db2.gz IQRBIWOUIKOBSN-HXUWFJFHSA-N 1 1 491.080 3.496 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CC[N@@H+](C)C(C)C ZINC001299907601 1065149960 /nfs/dbraw/zinc/14/99/60/1065149960.db2.gz IQRBIWOUIKOBSN-HXUWFJFHSA-N 1 1 491.080 3.496 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001299910634 1065160011 /nfs/dbraw/zinc/16/00/11/1065160011.db2.gz CFQGAHCIHMIQME-KRWDZBQOSA-N 1 1 482.050 3.106 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCNC(=O)C(C)C ZINC001299911667 1065161269 /nfs/dbraw/zinc/16/12/69/1065161269.db2.gz ODUMDUDXQPBEOJ-IBGZPJMESA-N 1 1 475.037 3.444 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCNC(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001299912358 1065162485 /nfs/dbraw/zinc/16/24/85/1065162485.db2.gz RGSCJKHWUQAFTJ-MRXNPFEDSA-N 1 1 461.010 3.054 20 0 JGADMO CC(C)(C)OC(=O)Cn1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cn1 ZINC001299919828 1065171632 /nfs/dbraw/zinc/17/16/32/1065171632.db2.gz JGLJNRPRAOMOFF-XZOQPEGZSA-N 1 1 461.566 3.474 20 0 JGADMO COc1cc(F)cc(Cn2c(-c3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299919993 1065171655 /nfs/dbraw/zinc/17/16/55/1065171655.db2.gz XDQLFXHASKIRMC-HDICACEKSA-N 1 1 454.550 3.082 20 0 JGADMO COc1cc(F)cc(Cn2c(-c3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299919993 1065171659 /nfs/dbraw/zinc/17/16/59/1065171659.db2.gz XDQLFXHASKIRMC-HDICACEKSA-N 1 1 454.550 3.082 20 0 JGADMO COc1cc(OC)c(CCn2c(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)nnc2C(C)(C)C)c(OC)c1 ZINC001299925250 1065183395 /nfs/dbraw/zinc/18/33/95/1065183395.db2.gz OXEKVYBCVOQUFP-RXVVDRJESA-N 1 1 487.645 3.001 20 0 JGADMO COc1cc(NC2CCN(c3nnc(C(C)(C)C)n3CCC[NH+]3CCOCC3)CC2)cc(OC)c1 ZINC001299926464 1065187141 /nfs/dbraw/zinc/18/71/41/1065187141.db2.gz OTVMYJFJHMZVBU-UHFFFAOYSA-N 1 1 486.661 3.396 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC(F)(F)F)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001299931392 1065194943 /nfs/dbraw/zinc/19/49/43/1065194943.db2.gz YSYONJBKUSHCAC-INIZCTEOSA-N 1 1 471.524 3.462 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299932071 1065197090 /nfs/dbraw/zinc/19/70/90/1065197090.db2.gz KFMFRUNUOWYCKD-QHAWAJNXSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCSC(C)C)c1 ZINC001299934103 1065200694 /nfs/dbraw/zinc/20/06/94/1065200694.db2.gz PJJSQMKGDHJXKS-GCJKJVERSA-N 1 1 475.659 3.261 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299934657 1065201676 /nfs/dbraw/zinc/20/16/76/1065201676.db2.gz XDOUKLLHFDDYJU-RTBURBONSA-N 1 1 484.645 3.140 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001299937436 1065205214 /nfs/dbraw/zinc/20/52/14/1065205214.db2.gz UMFUGQYUZYIGSO-ROUUACIJSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001299937780 1065206073 /nfs/dbraw/zinc/20/60/73/1065206073.db2.gz VRVPALVTKMFNDR-RUZDIDTESA-N 1 1 455.603 3.212 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2C[C@@H](C)SC)c1 ZINC001299938323 1065207033 /nfs/dbraw/zinc/20/70/33/1065207033.db2.gz KWKDIDHLOGHXKA-HXOBKFHXSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(F)(F)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001299941391 1065210738 /nfs/dbraw/zinc/21/07/38/1065210738.db2.gz IPXPIIQWUFTDNO-KRWDZBQOSA-N 1 1 465.545 3.309 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001299946284 1065220702 /nfs/dbraw/zinc/22/07/02/1065220702.db2.gz ZHACZFACYHFZRX-DFBJGRDBSA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001299946284 1065220712 /nfs/dbraw/zinc/22/07/12/1065220712.db2.gz ZHACZFACYHFZRX-DFBJGRDBSA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2C[C@@H](OC)C(C)C)c1 ZINC001299949866 1065224815 /nfs/dbraw/zinc/22/48/15/1065224815.db2.gz INVTUQNRWPDSCG-YADARESESA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCNC(=O)C(C)C)c1 ZINC001299949955 1065224958 /nfs/dbraw/zinc/22/49/58/1065224958.db2.gz JQSAAWARILAOMJ-IBGZPJMESA-N 1 1 484.645 3.045 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(Cc4cscn4)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299952199 1065230844 /nfs/dbraw/zinc/23/08/44/1065230844.db2.gz MPCIVSWFKAJJEX-UHFFFAOYSA-N 1 1 485.658 3.081 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001299958551 1065237598 /nfs/dbraw/zinc/23/75/98/1065237598.db2.gz UXUBPMKALXNWJP-VQTJNVASSA-N 1 1 473.618 3.458 20 0 JGADMO COc1cc2c(cc1C)CN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccco1)[NH+](C)C)CC2 ZINC001299960442 1065242236 /nfs/dbraw/zinc/24/22/36/1065242236.db2.gz ZPLSQNKIGSYGBG-FQEVSTJZSA-N 1 1 466.586 3.192 20 0 JGADMO COc1cc2c(cc1OC)CN(c1nnc(CC(C)(C)C)n1CCC[NH+]1CCOCC1)CC2 ZINC001299961864 1065243986 /nfs/dbraw/zinc/24/39/86/1065243986.db2.gz SJRAZCLCLRPOMP-UHFFFAOYSA-N 1 1 457.619 3.169 20 0 JGADMO COc1cc2c(cc1Cn1c(C(C)C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@@H](C)C2 ZINC001299964052 1065246858 /nfs/dbraw/zinc/24/68/58/1065246858.db2.gz QGDWJURAFKEZRC-GBESFXJTSA-N 1 1 457.619 3.327 20 0 JGADMO COc1cc2c(cc1Cn1c(C(C)C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@@H](C)C2 ZINC001299964052 1065246871 /nfs/dbraw/zinc/24/68/71/1065246871.db2.gz QGDWJURAFKEZRC-GBESFXJTSA-N 1 1 457.619 3.327 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001299967638 1065250402 /nfs/dbraw/zinc/25/04/02/1065250402.db2.gz UDEYWRAJKGQWEO-HNNXBMFYSA-N 1 1 493.450 3.291 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001299975083 1065267819 /nfs/dbraw/zinc/26/78/19/1065267819.db2.gz HMQMDTKWCRNUFS-ZACQAIPSSA-N 1 1 494.434 3.051 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001299975083 1065267827 /nfs/dbraw/zinc/26/78/27/1065267827.db2.gz HMQMDTKWCRNUFS-ZACQAIPSSA-N 1 1 494.434 3.051 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001299982982 1065283753 /nfs/dbraw/zinc/28/37/53/1065283753.db2.gz CKMWESWWBIZSFE-ZCNNSNEGSA-N 1 1 465.602 3.440 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001299987728 1065290501 /nfs/dbraw/zinc/29/05/01/1065290501.db2.gz VCJXPNQZTISEQD-ZJOUEHCJSA-N 1 1 475.659 3.118 20 0 JGADMO COc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC001299987847 1065291020 /nfs/dbraw/zinc/29/10/20/1065291020.db2.gz HNMUIGIULWBZNZ-UNMCSNQZSA-N 1 1 489.686 3.336 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001299990055 1065293288 /nfs/dbraw/zinc/29/32/88/1065293288.db2.gz CGNBSBOTKHWLKK-UHFFFAOYSA-N 1 1 491.640 3.142 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC001299990488 1065293778 /nfs/dbraw/zinc/29/37/78/1065293778.db2.gz IADWFICBZXQHNZ-VWLOTQADSA-N 1 1 453.587 3.343 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)SC)CC1 ZINC001299991562 1065297349 /nfs/dbraw/zinc/29/73/49/1065297349.db2.gz ZBXJFYMOWRKXDV-UHFFFAOYSA-N 1 1 486.686 3.181 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2sccc2C)CC1 ZINC001299991515 1065297399 /nfs/dbraw/zinc/29/73/99/1065297399.db2.gz XLQZVWJGPBFPKS-UHFFFAOYSA-N 1 1 482.654 3.474 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1Br ZINC001299995857 1065303759 /nfs/dbraw/zinc/30/37/59/1065303759.db2.gz BSHUJSCGBSFQRQ-WBVHZDCISA-N 1 1 496.475 3.379 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[N@H+]2CCOC[C@H]2C)cc1Br ZINC001299995857 1065303771 /nfs/dbraw/zinc/30/37/71/1065303771.db2.gz BSHUJSCGBSFQRQ-WBVHZDCISA-N 1 1 496.475 3.379 20 0 JGADMO COc1ccc(-c2nnc(N(C)C3CCC3)n2CCC[NH+]2CCOCC2)cc1Br ZINC001299996375 1065305046 /nfs/dbraw/zinc/30/50/46/1065305046.db2.gz YXGVPWDSYQWAET-UHFFFAOYSA-N 1 1 464.408 3.427 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C)cc2C)n1 ZINC001492200293 1065313273 /nfs/dbraw/zinc/31/32/73/1065313273.db2.gz ABDGOIMGVXZTOW-ZRZAMGCNSA-N 1 1 465.646 3.350 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C)cc2C)n1 ZINC001492200293 1065313283 /nfs/dbraw/zinc/31/32/83/1065313283.db2.gz ABDGOIMGVXZTOW-ZRZAMGCNSA-N 1 1 465.646 3.350 20 0 JGADMO Cc1ccc(CNC(=O)C2CCN(c3nnc(-c4ccc[nH]4)n3CC[N@H+](C)C(C)C)CC2)cc1 ZINC001492206023 1065320686 /nfs/dbraw/zinc/32/06/86/1065320686.db2.gz SIJLMRDOSQFFBX-UHFFFAOYSA-N 1 1 463.630 3.455 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(-c3cccnc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001492207941 1065322342 /nfs/dbraw/zinc/32/23/42/1065322342.db2.gz DORLILCWHMWRPV-UHFFFAOYSA-N 1 1 451.594 3.450 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001492207941 1065322353 /nfs/dbraw/zinc/32/23/53/1065322353.db2.gz DORLILCWHMWRPV-UHFFFAOYSA-N 1 1 451.594 3.450 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(-c3cccnc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001492207941 1065322362 /nfs/dbraw/zinc/32/23/62/1065322362.db2.gz DORLILCWHMWRPV-UHFFFAOYSA-N 1 1 451.594 3.450 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001492211205 1065323615 /nfs/dbraw/zinc/32/36/15/1065323615.db2.gz JSGHNJGWHKZZKH-QFIPXVFZSA-N 1 1 452.578 3.195 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3nccs3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492238215 1065323791 /nfs/dbraw/zinc/32/37/91/1065323791.db2.gz MLVHKWALJWLFBI-QGZVFWFLSA-N 1 1 483.642 3.208 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492243219 1065341604 /nfs/dbraw/zinc/34/16/04/1065341604.db2.gz AYEDVSGSIMIIOF-OAQYLSRUSA-N 1 1 497.688 3.177 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCOCC(F)F)cc1C ZINC001492246195 1065345320 /nfs/dbraw/zinc/34/53/20/1065345320.db2.gz CKSLVGRKHGWVFB-ICSRJNTNSA-N 1 1 476.572 3.492 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001492264094 1065356933 /nfs/dbraw/zinc/35/69/33/1065356933.db2.gz DPJNVACLQHPRBU-JTHBVZDNSA-N 1 1 495.672 3.373 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1C ZINC001492265992 1065360327 /nfs/dbraw/zinc/36/03/27/1065360327.db2.gz MENJGJOHOYJYJD-FQEVSTJZSA-N 1 1 476.572 3.492 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCCCO2)cc1C ZINC001492266529 1065362294 /nfs/dbraw/zinc/36/22/94/1065362294.db2.gz NXQDYBCULRRQRE-QHCPKHFHSA-N 1 1 484.645 3.263 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492275779 1065369676 /nfs/dbraw/zinc/36/96/76/1065369676.db2.gz KXQYPGLWELZSIB-XJUOHMSHSA-N 1 1 484.645 3.118 20 0 JGADMO Cc1ccc(NC(=O)C2CCN(c3nnc([C@H]4CCCOC4)n3CC[N@H+](C)C(C)C)CC2)nc1 ZINC001492281025 1065373885 /nfs/dbraw/zinc/37/38/85/1065373885.db2.gz MLRSEAHATZDMBC-NRFANRHFSA-N 1 1 469.634 3.071 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492287811 1065381191 /nfs/dbraw/zinc/38/11/91/1065381191.db2.gz HXRHBDYNLCOBQB-HXUWFJFHSA-N 1 1 478.645 3.255 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001492317581 1065393527 /nfs/dbraw/zinc/39/35/27/1065393527.db2.gz NYNMSLCCVTWUAE-QFIPXVFZSA-N 1 1 489.686 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492325206 1065397471 /nfs/dbraw/zinc/39/74/71/1065397471.db2.gz JEVHZUDCDFUDBI-QFIPXVFZSA-N 1 1 479.629 3.401 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@]2(O)CCC[C@@H]2C)cc1 ZINC001492331052 1065401465 /nfs/dbraw/zinc/40/14/65/1065401465.db2.gz VTEPSBQUJWCYTL-LVXARBLLSA-N 1 1 471.646 3.264 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@]2(O)CCC[C@@H]2C)cc1 ZINC001492331052 1065401472 /nfs/dbraw/zinc/40/14/72/1065401472.db2.gz VTEPSBQUJWCYTL-LVXARBLLSA-N 1 1 471.646 3.264 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)NC2CCCCC2)cc1 ZINC001492331278 1065401700 /nfs/dbraw/zinc/40/17/00/1065401700.db2.gz WBQOPSLFCVLPSP-SZPZYZBQSA-N 1 1 498.672 3.160 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)NC2CCCCC2)cc1 ZINC001492331278 1065401709 /nfs/dbraw/zinc/40/17/09/1065401709.db2.gz WBQOPSLFCVLPSP-SZPZYZBQSA-N 1 1 498.672 3.160 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC001492297718 1065412167 /nfs/dbraw/zinc/41/21/67/1065412167.db2.gz YAXLNUQSCHZARI-ILBGXUMGSA-N 1 1 484.689 3.409 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC001492297720 1065412251 /nfs/dbraw/zinc/41/22/51/1065412251.db2.gz YAXLNUQSCHZARI-NOZRDPDXSA-N 1 1 484.689 3.409 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001492358481 1065419866 /nfs/dbraw/zinc/41/98/66/1065419866.db2.gz AYUUNMDERUQCHX-OAQYLSRUSA-N 1 1 454.619 3.097 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CCCOC2)cc1 ZINC001492391060 1065421495 /nfs/dbraw/zinc/42/14/95/1065421495.db2.gz KZOWMOKRFHWCDC-JOCHJYFZSA-N 1 1 457.619 3.139 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001492363657 1065424939 /nfs/dbraw/zinc/42/49/39/1065424939.db2.gz LLJZFOIPFRVCJT-UHFFFAOYSA-N 1 1 497.562 3.170 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001492363657 1065424942 /nfs/dbraw/zinc/42/49/42/1065424942.db2.gz LLJZFOIPFRVCJT-UHFFFAOYSA-N 1 1 497.562 3.170 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492364293 1065427218 /nfs/dbraw/zinc/42/72/18/1065427218.db2.gz VXCUCBKWHLPFET-NRFANRHFSA-N 1 1 498.672 3.147 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[NH+]2CCOCC2)cc1 ZINC001492370332 1065432780 /nfs/dbraw/zinc/43/27/80/1065432780.db2.gz IDQXYHPVEBLCRW-NRFANRHFSA-N 1 1 497.562 3.436 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001492376874 1065439712 /nfs/dbraw/zinc/43/97/12/1065439712.db2.gz FFCHXXKZZQCYEI-QHCPKHFHSA-N 1 1 489.686 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCN2CCOC[C@H]2C)cc1 ZINC001492377002 1065439757 /nfs/dbraw/zinc/43/97/57/1065439757.db2.gz IZMSHGAKSXIDLM-JOCHJYFZSA-N 1 1 470.662 3.197 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCO[C@@H]2CCOC2)cc1 ZINC001492377430 1065441409 /nfs/dbraw/zinc/44/14/09/1065441409.db2.gz OXJNLYKEHMHBFM-HSZRJFAPSA-N 1 1 457.619 3.282 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001492384153 1065450457 /nfs/dbraw/zinc/45/04/57/1065450457.db2.gz DPOIWJZEHMIHSA-FGZHOGPDSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001492384838 1065452027 /nfs/dbraw/zinc/45/20/27/1065452027.db2.gz LGGCUKQPHFWKKQ-UMSFTDKQSA-N 1 1 489.686 3.014 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001492390900 1065456351 /nfs/dbraw/zinc/45/63/51/1065456351.db2.gz FRDXCAOVECVNSW-PKTZIBPZSA-N 1 1 471.646 3.385 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492392425 1065464339 /nfs/dbraw/zinc/46/43/39/1065464339.db2.gz YIZDBGYOZVOATA-OAQYLSRUSA-N 1 1 454.619 3.015 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001492395425 1065467715 /nfs/dbraw/zinc/46/77/15/1065467715.db2.gz SHDDFEUYIIWNBK-IZZNHLLZSA-N 1 1 471.646 3.182 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001492395426 1065467832 /nfs/dbraw/zinc/46/78/32/1065467832.db2.gz SHDDFEUYIIWNBK-UIOOFZCWSA-N 1 1 471.646 3.182 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492402339 1065472743 /nfs/dbraw/zinc/47/27/43/1065472743.db2.gz ROJMXJLXWNZVDS-GHTZIAJQSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1ccc(OCc2nnc(Nc3cnn(C)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001492407624 1065474265 /nfs/dbraw/zinc/47/42/65/1065474265.db2.gz IBJROUFZOPDMEG-QFIPXVFZSA-N 1 1 453.591 3.308 20 0 JGADMO Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC001492408961 1065474273 /nfs/dbraw/zinc/47/42/73/1065474273.db2.gz PPPLQOSNHMISHW-OAQYLSRUSA-N 1 1 454.619 3.258 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492419353 1065480402 /nfs/dbraw/zinc/48/04/02/1065480402.db2.gz XBNLLBCJTQFXGX-NRFANRHFSA-N 1 1 454.619 3.070 20 0 JGADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492432264 1065489883 /nfs/dbraw/zinc/48/98/83/1065489883.db2.gz YQOPSSOXKOGKGO-LEWJYISDSA-N 1 1 488.702 3.389 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC001492445981 1065500277 /nfs/dbraw/zinc/50/02/77/1065500277.db2.gz MTJBKBCGNFTLGZ-IBGZPJMESA-N 1 1 456.660 3.324 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492449097 1065502169 /nfs/dbraw/zinc/50/21/69/1065502169.db2.gz PNKRSWHVSZKVLL-NRFANRHFSA-N 1 1 451.587 3.427 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492468098 1065515832 /nfs/dbraw/zinc/51/58/32/1065515832.db2.gz UYHNKQRNHLPTME-PMACEKPBSA-N 1 1 486.686 3.093 20 0 JGADMO Cc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001492478419 1065524144 /nfs/dbraw/zinc/52/41/44/1065524144.db2.gz LVKLEVZJARXFLZ-JOCHJYFZSA-N 1 1 468.646 3.221 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[NH+]2CCOCC2)CC[C@H]1C ZINC001300800388 1065532859 /nfs/dbraw/zinc/53/28/59/1065532859.db2.gz ZYDVBKLDTBEYAG-WOIUINJBSA-N 1 1 461.582 3.141 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC[C@@H]1C ZINC001300826018 1065554372 /nfs/dbraw/zinc/55/43/72/1065554372.db2.gz LITMHSGAXZGCQN-AJSBUHFISA-N 1 1 459.610 3.226 20 0 JGADMO CO[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1(C)C ZINC001300828574 1065557578 /nfs/dbraw/zinc/55/75/78/1065557578.db2.gz YBPPYLKZYVEPNA-QHCPKHFHSA-N 1 1 472.653 3.143 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC001300837186 1065573061 /nfs/dbraw/zinc/57/30/61/1065573061.db2.gz BWXGGQZOONBAME-PZJWPPBQSA-N 1 1 478.037 3.219 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1(C)C ZINC001300841228 1065579562 /nfs/dbraw/zinc/57/95/62/1065579562.db2.gz HLWQFMSWTAGGHC-XZOQPEGZSA-N 1 1 471.646 3.384 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@H+]2CCCO)CC[C@@H]1C ZINC001300843341 1065582360 /nfs/dbraw/zinc/58/23/60/1065582360.db2.gz PZHARMXZBQEJLL-WMTXJRDZSA-N 1 1 471.646 3.182 20 0 JGADMO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1(C)C ZINC001300844097 1065584122 /nfs/dbraw/zinc/58/41/22/1065584122.db2.gz QVKPOAZNPKUBCE-NLWGTHIKSA-N 1 1 474.675 3.251 20 0 JGADMO CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001300845700 1065587521 /nfs/dbraw/zinc/58/75/21/1065587521.db2.gz VMWZVYGHSNZNKS-HKUYNNGSSA-N 1 1 460.648 3.005 20 0 JGADMO CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300855020 1065602493 /nfs/dbraw/zinc/60/24/93/1065602493.db2.gz BOUFRYIFCVMXHW-FYYLOGMGSA-N 1 1 471.646 3.100 20 0 JGADMO CO[C@@H]1COCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300871410 1065643791 /nfs/dbraw/zinc/64/37/91/1065643791.db2.gz LSDXEZOZSLUVNL-ISKFKSNPSA-N 1 1 471.646 3.446 20 0 JGADMO COCC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001300891407 1065680882 /nfs/dbraw/zinc/68/08/82/1065680882.db2.gz JOPZVQRXUWXWCI-FQEVSTJZSA-N 1 1 489.064 3.082 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(C3CCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001300907868 1065706391 /nfs/dbraw/zinc/70/63/91/1065706391.db2.gz LDAFOUCFEBMVMU-UHFFFAOYSA-N 1 1 468.646 3.166 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001300910125 1065707759 /nfs/dbraw/zinc/70/77/59/1065707759.db2.gz CXJLCGIFOYPXEF-FQEVSTJZSA-N 1 1 482.673 3.045 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001300910710 1065708920 /nfs/dbraw/zinc/70/89/20/1065708920.db2.gz BVYULJCTFMQZTI-JOCHJYFZSA-N 1 1 498.672 3.017 20 0 JGADMO COCC(C)(C)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001300914187 1065713925 /nfs/dbraw/zinc/71/39/25/1065713925.db2.gz KHOVIEBAZGJYAT-FQEVSTJZSA-N 1 1 472.634 3.042 20 0 JGADMO COCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001300928459 1065727365 /nfs/dbraw/zinc/72/73/65/1065727365.db2.gz DCLXBFGQLJHDBB-PGRDOPGGSA-N 1 1 489.064 3.260 20 0 JGADMO COCC(C)(C)CCCn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300933115 1065733087 /nfs/dbraw/zinc/73/30/87/1065733087.db2.gz XLWBUIGLIZMSDK-OAQYLSRUSA-N 1 1 459.639 3.028 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001300934103 1065734629 /nfs/dbraw/zinc/73/46/29/1065734629.db2.gz HLWDGXAUYCLTFZ-XLIONFOSSA-N 1 1 478.037 3.437 20 0 JGADMO COCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001300942364 1065744769 /nfs/dbraw/zinc/74/47/69/1065744769.db2.gz LQBCTZLMABWQFB-VXKWHMMOSA-N 1 1 457.619 3.048 20 0 JGADMO COCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001300948419 1065751726 /nfs/dbraw/zinc/75/17/26/1065751726.db2.gz DNWIVPFCJCBQRY-DEOSSOPVSA-N 1 1 478.037 3.484 20 0 JGADMO COC[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300957293 1065762448 /nfs/dbraw/zinc/76/24/48/1065762448.db2.gz DYLARUDZSMJCNH-LJQANCHMSA-N 1 1 477.675 3.188 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001300963864 1065772001 /nfs/dbraw/zinc/77/20/01/1065772001.db2.gz CCOPLHKSSMJQRJ-GUXCAODWSA-N 1 1 451.974 3.177 20 0 JGADMO COC[C@H](C)Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001300977674 1065787365 /nfs/dbraw/zinc/78/73/65/1065787365.db2.gz GMJUOXVFZNSPJS-QMHWCDLVSA-N 1 1 471.675 3.466 20 0 JGADMO COC[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001300981756 1065793146 /nfs/dbraw/zinc/79/31/46/1065793146.db2.gz XPAORZIVVCUMNY-FQEVSTJZSA-N 1 1 452.578 3.398 20 0 JGADMO COC[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001300981757 1065793388 /nfs/dbraw/zinc/79/33/88/1065793388.db2.gz XPAORZIVVCUMNY-HXUWFJFHSA-N 1 1 452.578 3.398 20 0 JGADMO COC[C@@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001300986793 1065799675 /nfs/dbraw/zinc/79/96/75/1065799675.db2.gz IBVCNOGWOJIWOC-SFTDATJTSA-N 1 1 459.660 3.462 20 0 JGADMO COC[C@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001300986788 1065799720 /nfs/dbraw/zinc/79/97/20/1065799720.db2.gz IBVCNOGWOJIWOC-NHCUHLMSSA-N 1 1 459.660 3.462 20 0 JGADMO COC[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001300992495 1065809261 /nfs/dbraw/zinc/80/92/61/1065809261.db2.gz OGCNBBBIMSELJC-UFYCRDLUSA-N 1 1 462.639 3.307 20 0 JGADMO COC[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001300992494 1065809554 /nfs/dbraw/zinc/80/95/54/1065809554.db2.gz OGCNBBBIMSELJC-AQNXPRMDSA-N 1 1 462.639 3.307 20 0 JGADMO COC[C@@H](Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001301009057 1065839227 /nfs/dbraw/zinc/83/92/27/1065839227.db2.gz BDFJECHXSXGSSZ-BGWNEDDSSA-N 1 1 481.645 3.168 20 0 JGADMO COC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC ZINC001301015731 1065849724 /nfs/dbraw/zinc/84/97/24/1065849724.db2.gz XCGYXICQCABZIM-LJQANCHMSA-N 1 1 454.619 3.409 20 0 JGADMO COC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001301028319 1065866815 /nfs/dbraw/zinc/86/68/15/1065866815.db2.gz YJEZHVNVGGPRHN-ZJSXRUAMSA-N 1 1 464.614 3.026 20 0 JGADMO COC[C@H](F)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001301040857 1065883767 /nfs/dbraw/zinc/88/37/67/1065883767.db2.gz OHYIXJAURVSXTC-DFQSSKMNSA-N 1 1 482.000 3.194 20 0 JGADMO COC[C@H](F)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001301040857 1065883777 /nfs/dbraw/zinc/88/37/77/1065883777.db2.gz OHYIXJAURVSXTC-DFQSSKMNSA-N 1 1 482.000 3.194 20 0 JGADMO COC[C@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301043144 1065886997 /nfs/dbraw/zinc/88/69/97/1065886997.db2.gz HFZOLCMKAQIMLE-IEBWSBKVSA-N 1 1 491.608 3.266 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301047219 1065894690 /nfs/dbraw/zinc/89/46/90/1065894690.db2.gz HYSUWRJJXQNJAE-KBPBESRZSA-N 1 1 458.401 3.428 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301047225 1065894759 /nfs/dbraw/zinc/89/47/59/1065894759.db2.gz HYSUWRJJXQNJAE-UONOGXRCSA-N 1 1 458.401 3.428 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301052292 1065900657 /nfs/dbraw/zinc/90/06/57/1065900657.db2.gz CECSVAHUGPKLDX-LJQANCHMSA-N 1 1 456.566 3.025 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301052292 1065900667 /nfs/dbraw/zinc/90/06/67/1065900667.db2.gz CECSVAHUGPKLDX-LJQANCHMSA-N 1 1 456.566 3.025 20 0 JGADMO O=C(N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001301057742 1065909538 /nfs/dbraw/zinc/90/95/38/1065909538.db2.gz ILFMZDDPTNHKSY-BHDDXSALSA-N 1 1 474.527 3.357 20 0 JGADMO COC[C@@H](F)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301070132 1065922044 /nfs/dbraw/zinc/92/20/44/1065922044.db2.gz SUAZCPVUSGAVAD-PMACEKPBSA-N 1 1 480.629 3.052 20 0 JGADMO COC[C@H](F)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001301082480 1065932404 /nfs/dbraw/zinc/93/24/04/1065932404.db2.gz ISPTUJNJKWMGPO-SBHAEUEKSA-N 1 1 463.623 3.020 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001301089851 1065939461 /nfs/dbraw/zinc/93/94/61/1065939461.db2.gz DAEYRHLIGYMAAT-UHFFFAOYSA-N 1 1 476.069 3.272 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301089851 1065939473 /nfs/dbraw/zinc/93/94/73/1065939473.db2.gz DAEYRHLIGYMAAT-UHFFFAOYSA-N 1 1 476.069 3.272 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301089851 1065939484 /nfs/dbraw/zinc/93/94/84/1065939484.db2.gz DAEYRHLIGYMAAT-UHFFFAOYSA-N 1 1 476.069 3.272 20 0 JGADMO COCC1(C)CCN(c2nnc(Cc3ccccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301098612 1065945655 /nfs/dbraw/zinc/94/56/55/1065945655.db2.gz IUSBPEIKHZJWHP-OYRHEFFESA-N 1 1 456.635 3.016 20 0 JGADMO C=Cc1ccc(CCn2c(-c3cnccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001301099002 1065946250 /nfs/dbraw/zinc/94/62/50/1065946250.db2.gz AMUJQHLZEHYQOT-UHFFFAOYSA-N 1 1 461.614 3.415 20 0 JGADMO COCC1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001301100808 1065948238 /nfs/dbraw/zinc/94/82/38/1065948238.db2.gz SESSFZWPGPAVNP-UHFFFAOYSA-N 1 1 485.673 3.436 20 0 JGADMO COCC1(CCn2c(N3C[C@@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)CCCC1 ZINC001301116254 1065960162 /nfs/dbraw/zinc/96/01/62/1065960162.db2.gz KXYFHIFHDZRFTB-IFMALSPDSA-N 1 1 474.694 3.161 20 0 JGADMO COCc1cc(Cn2c(CC(C)(C)C)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)ccc1F ZINC001301152072 1065988201 /nfs/dbraw/zinc/98/82/01/1065988201.db2.gz GCRSLXJJUDCZQH-AVRDEDQJSA-N 1 1 459.610 3.357 20 0 JGADMO COCc1cc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1F ZINC001301152075 1065988324 /nfs/dbraw/zinc/98/83/24/1065988324.db2.gz GCRSLXJJUDCZQH-XMSQKQJNSA-N 1 1 459.610 3.357 20 0 JGADMO COCc1cc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1F ZINC001301156314 1065993234 /nfs/dbraw/zinc/99/32/34/1065993234.db2.gz DKTDCHVOCIICKU-OAQYLSRUSA-N 1 1 461.582 3.010 20 0 JGADMO COCc1cc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1F ZINC001301156314 1065993245 /nfs/dbraw/zinc/99/32/45/1065993245.db2.gz DKTDCHVOCIICKU-OAQYLSRUSA-N 1 1 461.582 3.010 20 0 JGADMO COCc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[N@@H+](C)C2CCCC2)o1 ZINC001301157053 1065993663 /nfs/dbraw/zinc/99/36/63/1065993663.db2.gz OMCNTZMLZFSZFL-FQEVSTJZSA-N 1 1 458.607 3.372 20 0 JGADMO COCC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301195368 1066022408 /nfs/dbraw/zinc/02/24/08/1066022408.db2.gz VGZBGPQMIZHHCB-UHFFFAOYSA-N 1 1 486.661 3.437 20 0 JGADMO COCc1nc(Cn2c(CC(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC001301211795 1066035441 /nfs/dbraw/zinc/03/54/41/1066035441.db2.gz HHFRHFLETVRQNV-KDURUIRLSA-N 1 1 476.691 3.453 20 0 JGADMO COCc1nc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001301211778 1066035503 /nfs/dbraw/zinc/03/55/03/1066035503.db2.gz HAHZZQWJALTYOB-UHFFFAOYSA-N 1 1 488.633 3.206 20 0 JGADMO COCc1nc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001301211778 1066035513 /nfs/dbraw/zinc/03/55/13/1066035513.db2.gz HAHZZQWJALTYOB-UHFFFAOYSA-N 1 1 488.633 3.206 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001301248055 1066065127 /nfs/dbraw/zinc/06/51/27/1066065127.db2.gz OEUJLLPGEQLLNL-IFMALSPDSA-N 1 1 459.610 3.108 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2CCCCn2cc[nH+]c2C)C1 ZINC001301248081 1066065450 /nfs/dbraw/zinc/06/54/50/1066065450.db2.gz DCJGGRJUSKSEPI-QFIPXVFZSA-N 1 1 454.623 3.378 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001301251011 1066067928 /nfs/dbraw/zinc/06/79/28/1066067928.db2.gz KHYVJAXHTCZOQZ-FQEVSTJZSA-N 1 1 475.609 3.360 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301263567 1066078880 /nfs/dbraw/zinc/07/88/80/1066078880.db2.gz MGTJPQITQFFEBU-OALUTQOASA-N 1 1 463.026 3.357 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301265157 1066081254 /nfs/dbraw/zinc/08/12/54/1066081254.db2.gz JOLUMDJOYUYPEH-UGKGYDQZSA-N 1 1 489.686 3.332 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC[N@@H+](C)C(C)C)C1 ZINC001301274781 1066085623 /nfs/dbraw/zinc/08/56/23/1066085623.db2.gz UBXPMEKZXXVDRL-GOSISDBHSA-N 1 1 453.591 3.187 20 0 JGADMO COC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301281549 1066090150 /nfs/dbraw/zinc/09/01/50/1066090150.db2.gz BPDXJHXBTQCRLI-NRFANRHFSA-N 1 1 457.619 3.139 20 0 JGADMO COC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301281549 1066090163 /nfs/dbraw/zinc/09/01/63/1066090163.db2.gz BPDXJHXBTQCRLI-NRFANRHFSA-N 1 1 457.619 3.139 20 0 JGADMO COC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301283554 1066091443 /nfs/dbraw/zinc/09/14/43/1066091443.db2.gz PKOLQJQLWSNIHK-QHCPKHFHSA-N 1 1 484.689 3.363 20 0 JGADMO COCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301287154 1066094914 /nfs/dbraw/zinc/09/49/14/1066094914.db2.gz QUUAWQUVZGHFPP-HXUWFJFHSA-N 1 1 469.634 3.300 20 0 JGADMO COCC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001301293825 1066098664 /nfs/dbraw/zinc/09/86/64/1066098664.db2.gz CKMOKGMHFLBGQB-HXOBKFHXSA-N 1 1 464.010 3.001 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301293927 1066098723 /nfs/dbraw/zinc/09/87/23/1066098723.db2.gz DKSLPFBWHAUMHK-SFHVURJKSA-N 1 1 491.478 3.206 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301293927 1066098733 /nfs/dbraw/zinc/09/87/33/1066098733.db2.gz DKSLPFBWHAUMHK-SFHVURJKSA-N 1 1 491.478 3.206 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301293927 1066098743 /nfs/dbraw/zinc/09/87/43/1066098743.db2.gz DKSLPFBWHAUMHK-SFHVURJKSA-N 1 1 491.478 3.206 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301295104 1066100600 /nfs/dbraw/zinc/10/06/00/1066100600.db2.gz QVJDCRKZWWVLAX-KRWDZBQOSA-N 1 1 465.545 3.130 20 0 JGADMO COC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301295104 1066100601 /nfs/dbraw/zinc/10/06/01/1066100601.db2.gz QVJDCRKZWWVLAX-KRWDZBQOSA-N 1 1 465.545 3.130 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301296699 1066101884 /nfs/dbraw/zinc/10/18/84/1066101884.db2.gz YNSSDBSFWPAZPF-MRXNPFEDSA-N 1 1 496.425 3.430 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301296699 1066101885 /nfs/dbraw/zinc/10/18/85/1066101885.db2.gz YNSSDBSFWPAZPF-MRXNPFEDSA-N 1 1 496.425 3.430 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301304135 1066108284 /nfs/dbraw/zinc/10/82/84/1066108284.db2.gz JKGCHZFHTCHDLR-HZPDHXFCSA-N 1 1 454.402 3.445 20 0 JGADMO COCC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001301307620 1066110864 /nfs/dbraw/zinc/11/08/64/1066110864.db2.gz FCISWBGRGGNHFL-QGZVFWFLSA-N 1 1 478.435 3.291 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301309802 1066111861 /nfs/dbraw/zinc/11/18/61/1066111861.db2.gz VYLRKDGWUAVACV-HSALFYBXSA-N 1 1 487.645 3.323 20 0 JGADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C(C)(C)n3cc(C)c(C(F)(F)F)n3)C2)ccn1 ZINC001301355601 1066144860 /nfs/dbraw/zinc/14/48/60/1066144860.db2.gz CNQXPDMNWXMWOP-SFHVURJKSA-N 1 1 453.509 3.472 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H](C)O1 ZINC001301368950 1066163522 /nfs/dbraw/zinc/16/35/22/1066163522.db2.gz MYRBSIBYNOBKTR-IHPCNDPISA-N 1 1 496.027 3.335 20 0 JGADMO CCC[N@H+]1CC[C@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001301378451 1066171597 /nfs/dbraw/zinc/17/15/97/1066171597.db2.gz FXWCCLXJLUMDIG-VIFPVBQESA-N 1 1 455.109 3.407 20 0 JGADMO COC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001301400688 1066181297 /nfs/dbraw/zinc/18/12/97/1066181297.db2.gz CKQVSWCHPWFAIJ-CDNNERCOSA-N 1 1 471.646 3.260 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301405070 1066187438 /nfs/dbraw/zinc/18/74/38/1066187438.db2.gz IKCSEIBZYWPBLO-KWOQKUFVSA-N 1 1 471.646 3.446 20 0 JGADMO COC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC001301406774 1066189145 /nfs/dbraw/zinc/18/91/45/1066189145.db2.gz MTGCUTSKAJMMAH-JTHBVZDNSA-N 1 1 473.666 3.034 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301408650 1066192849 /nfs/dbraw/zinc/19/28/49/1066192849.db2.gz XIEYSLRWCAQJGB-CKUXNOBLSA-N 1 1 471.646 3.446 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301409520 1066195262 /nfs/dbraw/zinc/19/52/62/1066195262.db2.gz GTHZARJYMVDQRS-UGKGYDQZSA-N 1 1 475.609 3.358 20 0 JGADMO COCCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001301416266 1066207213 /nfs/dbraw/zinc/20/72/13/1066207213.db2.gz VXGCVDISISNMNJ-JOCHJYFZSA-N 1 1 468.646 3.288 20 0 JGADMO COCCC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301430224 1066228334 /nfs/dbraw/zinc/22/83/34/1066228334.db2.gz MMYZLSIUOJFJIM-OFNKIYASSA-N 1 1 474.694 3.062 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301945033 1066230086 /nfs/dbraw/zinc/23/00/86/1066230086.db2.gz VDOKRIPMAMPKNI-BHDDXSALSA-N 1 1 476.710 3.355 20 0 JGADMO COCC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001301436569 1066237968 /nfs/dbraw/zinc/23/79/68/1066237968.db2.gz BJXXNISOUUCGHZ-UIOOFZCWSA-N 1 1 471.646 3.060 20 0 JGADMO COCC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001301436569 1066237976 /nfs/dbraw/zinc/23/79/76/1066237976.db2.gz BJXXNISOUUCGHZ-UIOOFZCWSA-N 1 1 471.646 3.060 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001301948291 1066241609 /nfs/dbraw/zinc/24/16/09/1066241609.db2.gz IDOMOVJDHLHHNY-UHFFFAOYSA-N 1 1 467.574 3.472 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(CC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001301948653 1066242518 /nfs/dbraw/zinc/24/25/18/1066242518.db2.gz UMHYYAOJPJDLJD-UHFFFAOYSA-N 1 1 489.734 3.097 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001301948653 1066242536 /nfs/dbraw/zinc/24/25/36/1066242536.db2.gz UMHYYAOJPJDLJD-UHFFFAOYSA-N 1 1 489.734 3.097 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001301948653 1066242553 /nfs/dbraw/zinc/24/25/53/1066242553.db2.gz UMHYYAOJPJDLJD-UHFFFAOYSA-N 1 1 489.734 3.097 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301439001 1066243037 /nfs/dbraw/zinc/24/30/37/1066243037.db2.gz CSKDMSXLVVMNSN-NBCNXNJRSA-N 1 1 478.435 3.168 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301439203 1066243601 /nfs/dbraw/zinc/24/36/01/1066243601.db2.gz FXZQMUCAVLROQC-VWLOTQADSA-N 1 1 475.634 3.060 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001301948960 1066243809 /nfs/dbraw/zinc/24/38/09/1066243809.db2.gz PAOLNQPDQLNQLW-MOPGFXCFSA-N 1 1 484.674 3.003 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001301948965 1066243933 /nfs/dbraw/zinc/24/39/33/1066243933.db2.gz PDLNFACTMMLHHD-IBGZPJMESA-N 1 1 498.701 3.393 20 0 JGADMO COCCO[C@@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cc[nH+]c1C ZINC001301964585 1066267784 /nfs/dbraw/zinc/26/77/84/1066267784.db2.gz GEZSHVMJCXMMMK-SFHVURJKSA-N 1 1 491.637 3.043 20 0 JGADMO COCC[C@@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301453909 1066270347 /nfs/dbraw/zinc/27/03/47/1066270347.db2.gz XMNSKMXBAVBJDL-AREMUKBSSA-N 1 1 481.645 3.229 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001301984172 1066293527 /nfs/dbraw/zinc/29/35/27/1066293527.db2.gz NJDHOTOWWBDALH-CIAFKFPVSA-N 1 1 471.646 3.363 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001301984172 1066293539 /nfs/dbraw/zinc/29/35/39/1066293539.db2.gz NJDHOTOWWBDALH-CIAFKFPVSA-N 1 1 471.646 3.363 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCc1ccc(Cl)cc1 ZINC001301986431 1066299596 /nfs/dbraw/zinc/29/95/96/1066299596.db2.gz XBWDFXDBSNYHDY-KNKQGSTJSA-N 1 1 478.037 3.055 20 0 JGADMO C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001301986746 1066300075 /nfs/dbraw/zinc/30/00/75/1066300075.db2.gz FMVQXTTYVUPOQX-KZNAEPCWSA-N 1 1 470.643 3.234 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001301987039 1066301125 /nfs/dbraw/zinc/30/11/25/1066301125.db2.gz GRVPBBKFDMOAEC-OAGGEKHMSA-N 1 1 495.024 3.455 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001301989299 1066306761 /nfs/dbraw/zinc/30/67/61/1066306761.db2.gz KBFUFRCKAMTYRC-KSZLIROESA-N 1 1 472.565 3.297 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001301991559 1066311866 /nfs/dbraw/zinc/31/18/66/1066311866.db2.gz OABZKBCUVMVOBG-SFHLNBCPSA-N 1 1 469.696 3.432 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CCCn1cc[nH+]c1C ZINC001301993426 1066317787 /nfs/dbraw/zinc/31/77/87/1066317787.db2.gz KBQGWONLVJCYFB-MOPGFXCFSA-N 1 1 454.575 3.385 20 0 JGADMO COCCO[C@H](C)c1nnc(N2Cc3ccc(Br)cc3C2)n1CCC[NH+]1CCOCC1 ZINC001301997648 1066327009 /nfs/dbraw/zinc/32/70/09/1066327009.db2.gz ZWNPUZRVXBFBML-QGZVFWFLSA-N 1 1 494.434 3.007 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001301997555 1066327111 /nfs/dbraw/zinc/32/71/11/1066327111.db2.gz DKGFOBOGNLDDCH-CBPXPLCBSA-N 1 1 457.619 3.451 20 0 JGADMO CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001301503812 1066329734 /nfs/dbraw/zinc/32/97/34/1066329734.db2.gz LEPVUWSWAXUSHY-GBXCKJPGSA-N 1 1 457.640 3.381 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301999184 1066330235 /nfs/dbraw/zinc/33/02/35/1066330235.db2.gz AFDLRRMETNCHCU-MOPGFXCFSA-N 1 1 495.665 3.376 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301999184 1066330249 /nfs/dbraw/zinc/33/02/49/1066330249.db2.gz AFDLRRMETNCHCU-MOPGFXCFSA-N 1 1 495.665 3.376 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccc(Cl)cc1OC ZINC001301999456 1066330987 /nfs/dbraw/zinc/33/09/87/1066330987.db2.gz NIEBPASHIWYNFH-MBOZVWFJSA-N 1 1 464.010 3.385 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302000294 1066333428 /nfs/dbraw/zinc/33/34/28/1066333428.db2.gz NCMRVAHILXWGTG-FQEVSTJZSA-N 1 1 485.629 3.112 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302000294 1066333444 /nfs/dbraw/zinc/33/34/44/1066333444.db2.gz NCMRVAHILXWGTG-FQEVSTJZSA-N 1 1 485.629 3.112 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001301508222 1066337306 /nfs/dbraw/zinc/33/73/06/1066337306.db2.gz YSARCEOITVDQCP-MJGOQNOKSA-N 1 1 466.001 3.447 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302004554 1066341098 /nfs/dbraw/zinc/34/10/98/1066341098.db2.gz VFIVQXUPYYSONE-KCZVDYSFSA-N 1 1 491.702 3.278 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301513289 1066341125 /nfs/dbraw/zinc/34/11/25/1066341125.db2.gz YCPFHFKDEGSRLC-GGAORHGYSA-N 1 1 468.646 3.059 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302007733 1066349760 /nfs/dbraw/zinc/34/97/60/1066349760.db2.gz KJHOGCRHTAOADK-HOTGVXAUSA-N 1 1 456.513 3.240 20 0 JGADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302009413 1066352452 /nfs/dbraw/zinc/35/24/52/1066352452.db2.gz VCGSAJKUCXUICF-FCHUYYIVSA-N 1 1 474.694 3.304 20 0 JGADMO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001302013530 1066358664 /nfs/dbraw/zinc/35/86/64/1066358664.db2.gz CTAKVOYTNLQSFA-QFIPXVFZSA-N 1 1 474.694 3.112 20 0 JGADMO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001302013962 1066359605 /nfs/dbraw/zinc/35/96/05/1066359605.db2.gz GLULEZNLPLEKOT-DHIUTWEWSA-N 1 1 488.721 3.236 20 0 JGADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302014612 1066361236 /nfs/dbraw/zinc/36/12/36/1066361236.db2.gz CAGGEXXPDYXKDQ-QHCPKHFHSA-N 1 1 464.658 3.456 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1cccc(C(F)F)c1 ZINC001302015601 1066363194 /nfs/dbraw/zinc/36/31/94/1066363194.db2.gz UPYBWUFHRYXLNG-UUOWRZLLSA-N 1 1 479.572 3.289 20 0 JGADMO CC(C)(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001302016802 1066366001 /nfs/dbraw/zinc/36/60/01/1066366001.db2.gz SLQVIRYSGGQVLV-XMMPIXPASA-N 1 1 475.037 3.062 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302017417 1066367798 /nfs/dbraw/zinc/36/77/98/1066367798.db2.gz STVJPKFIQSCPAZ-PWRODBHTSA-N 1 1 473.666 3.240 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001302022711 1066376655 /nfs/dbraw/zinc/37/66/55/1066376655.db2.gz PJGMUXHRECUBFG-OFVILXPXSA-N 1 1 456.635 3.218 20 0 JGADMO C[C@@H](C(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1)c1c(F)cccc1F ZINC001301549929 1066378002 /nfs/dbraw/zinc/37/80/02/1066378002.db2.gz AJBPGDINWHVCMH-LJQANCHMSA-N 1 1 456.537 3.150 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@@H]1CC1(C)C ZINC001302023426 1066378760 /nfs/dbraw/zinc/37/87/60/1066378760.db2.gz GNEKPLRTODMMGA-RTWAWAEBSA-N 1 1 462.683 3.043 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302030210 1066394483 /nfs/dbraw/zinc/39/44/83/1066394483.db2.gz MSZJRSCRTNBWFJ-AJTFRIOCSA-N 1 1 485.673 3.388 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC3(C2)CCCCC3)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302034791 1066403817 /nfs/dbraw/zinc/40/38/17/1066403817.db2.gz CSMZVYPMVHEVOS-NRFANRHFSA-N 1 1 462.683 3.189 20 0 JGADMO COCCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[NH+]1CCOCC1 ZINC001301582988 1066418669 /nfs/dbraw/zinc/41/86/69/1066418669.db2.gz XQZWGYMNGFQHGI-UHFFFAOYSA-N 1 1 470.387 3.042 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302050637 1066435822 /nfs/dbraw/zinc/43/58/22/1066435822.db2.gz ANVJGGHDBJHZBJ-OFNKIYASSA-N 1 1 471.646 3.243 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[C@H](c3nc(C)cs3)C2)n1CCn1cc[nH+]c1C ZINC001302053039 1066442997 /nfs/dbraw/zinc/44/29/97/1066442997.db2.gz HACUEBJVWPBKAW-HKUYNNGSSA-N 1 1 459.620 3.356 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302055574 1066450094 /nfs/dbraw/zinc/45/00/94/1066450094.db2.gz QIWIUHGXDNAFDX-NHCUHLMSSA-N 1 1 492.665 3.100 20 0 JGADMO COCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001301606318 1066451543 /nfs/dbraw/zinc/45/15/43/1066451543.db2.gz DLQVWIHCEYFKJC-SFTDATJTSA-N 1 1 494.681 3.324 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@](C)(OC)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302056220 1066451582 /nfs/dbraw/zinc/45/15/82/1066451582.db2.gz YFXBUYITNFUWGP-YPCDYVTLSA-N 1 1 471.646 3.454 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@](C)(OC)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302056218 1066451611 /nfs/dbraw/zinc/45/16/11/1066451611.db2.gz YFXBUYITNFUWGP-UZINWLIJSA-N 1 1 471.646 3.454 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCCC1(C)C ZINC001301607421 1066453766 /nfs/dbraw/zinc/45/37/66/1066453766.db2.gz LTVNKQLRAAHCDX-UHFFFAOYSA-N 1 1 453.429 3.393 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@](C)(OC)C1 ZINC001301607715 1066454172 /nfs/dbraw/zinc/45/41/72/1066454172.db2.gz PHCATKAJABRENA-VWLOTQADSA-N 1 1 452.603 3.467 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001301607525 1066454271 /nfs/dbraw/zinc/45/42/71/1066454271.db2.gz NNVLXRUICRQTRP-KXBFYZLASA-N 1 1 481.439 3.008 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](OC)C1 ZINC001301607898 1066455110 /nfs/dbraw/zinc/45/51/10/1066455110.db2.gz SVECXTIUMZOFQW-INIZCTEOSA-N 1 1 470.387 3.040 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001301607746 1066455128 /nfs/dbraw/zinc/45/51/28/1066455128.db2.gz PYSUMMKPHKNOGX-JTHBVZDNSA-N 1 1 482.673 3.268 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001301609427 1066456892 /nfs/dbraw/zinc/45/68/92/1066456892.db2.gz HMSFCVBIBKBESI-QGZVFWFLSA-N 1 1 472.531 3.125 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001301610670 1066458008 /nfs/dbraw/zinc/45/80/08/1066458008.db2.gz SJDMFUVNGJLXSQ-UHFFFAOYSA-N 1 1 484.674 3.017 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001301610763 1066458093 /nfs/dbraw/zinc/45/80/93/1066458093.db2.gz VEQSOXOJZPIXMK-JOCHJYFZSA-N 1 1 454.550 3.025 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001301612551 1066460481 /nfs/dbraw/zinc/46/04/81/1066460481.db2.gz DSGIFZGTZAQLNQ-DHLKQENFSA-N 1 1 473.618 3.154 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001301612809 1066461068 /nfs/dbraw/zinc/46/10/68/1066461068.db2.gz HJGNERDSGTWXLF-FGZHOGPDSA-N 1 1 479.572 3.344 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](SC)C1 ZINC001301612830 1066461114 /nfs/dbraw/zinc/46/11/14/1066461114.db2.gz HKYNUZHELCILLA-SIKLNZKXSA-N 1 1 475.659 3.481 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001301612814 1066461334 /nfs/dbraw/zinc/46/13/34/1066461334.db2.gz HJGNERDSGTWXLF-YADHBBJMSA-N 1 1 479.572 3.344 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001301613742 1066463254 /nfs/dbraw/zinc/46/32/54/1066463254.db2.gz QJJHNEQVAREXQB-AWEZNQCLSA-N 1 1 473.462 3.071 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001301613859 1066463883 /nfs/dbraw/zinc/46/38/83/1066463883.db2.gz SFNRGBTWOAGPIE-HBMCJLEFSA-N 1 1 494.681 3.180 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301614193 1066464572 /nfs/dbraw/zinc/46/45/72/1066464572.db2.gz WJWHQXFLPXWZCQ-IFMALSPDSA-N 1 1 478.037 3.372 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCOc1ncccc1Cl ZINC001302066233 1066466741 /nfs/dbraw/zinc/46/67/41/1066466741.db2.gz CJZZEUKSMDODCB-GOSISDBHSA-N 1 1 481.041 3.440 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001301616905 1066466936 /nfs/dbraw/zinc/46/69/36/1066466936.db2.gz FBMJRNXUBOJKJW-NCYKPQTJSA-N 1 1 478.682 3.499 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001302066823 1066468625 /nfs/dbraw/zinc/46/86/25/1066468625.db2.gz GRWPSJCHFIBQTE-OTPAQWSUSA-N 1 1 479.666 3.041 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCc1cn2ccccc2n1 ZINC001302066894 1066468639 /nfs/dbraw/zinc/46/86/39/1066468639.db2.gz HHQUSFKIWVMYPQ-FQEVSTJZSA-N 1 1 469.634 3.203 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1COc2ccccc2O1 ZINC001302066938 1066469308 /nfs/dbraw/zinc/46/93/08/1066469308.db2.gz HPIZHNHXUJYFOT-VQTJNVASSA-N 1 1 473.618 3.153 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1COc2ccccc2O1 ZINC001302066939 1066469347 /nfs/dbraw/zinc/46/93/47/1066469347.db2.gz HPIZHNHXUJYFOT-WOJBJXKFSA-N 1 1 473.618 3.153 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1COc2ccccc2O1 ZINC001302066937 1066469369 /nfs/dbraw/zinc/46/93/69/1066469369.db2.gz HPIZHNHXUJYFOT-UXHICEINSA-N 1 1 473.618 3.153 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302066977 1066469531 /nfs/dbraw/zinc/46/95/31/1066469531.db2.gz YLMKQBMFGLOPCG-UHFFFAOYSA-N 1 1 473.637 3.400 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001301617922 1066469486 /nfs/dbraw/zinc/46/94/86/1066469486.db2.gz LCAXITJONXUXLF-WSWWRLHASA-N 1 1 463.667 3.169 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001301618538 1066471354 /nfs/dbraw/zinc/47/13/54/1066471354.db2.gz PGZVJFYKZARRIY-LWYYNNOASA-N 1 1 496.722 3.347 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302068462 1066471907 /nfs/dbraw/zinc/47/19/07/1066471907.db2.gz PSDOIDIFLCBFSW-AVRDEDQJSA-N 1 1 493.052 3.017 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(OC)C1 ZINC001301619244 1066473132 /nfs/dbraw/zinc/47/31/32/1066473132.db2.gz VXHXJUNJNKRESU-REHUZNOOSA-N 1 1 451.656 3.170 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001302069137 1066473203 /nfs/dbraw/zinc/47/32/03/1066473203.db2.gz SKEFGMFSGNVNIT-OAQYLSRUSA-N 1 1 498.672 3.488 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(OC)C1 ZINC001301619245 1066473273 /nfs/dbraw/zinc/47/32/73/1066473273.db2.gz VXHXJUNJNKRESU-YOSAUDMPSA-N 1 1 451.656 3.170 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001302071392 1066479251 /nfs/dbraw/zinc/47/92/51/1066479251.db2.gz IOFZBIPWUDXEJY-REWPJTCUSA-N 1 1 473.593 3.199 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302071700 1066480484 /nfs/dbraw/zinc/48/04/84/1066480484.db2.gz PHYHXBGSEXQCPI-SFTDATJTSA-N 1 1 492.709 3.207 20 0 JGADMO COCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001301623252 1066482132 /nfs/dbraw/zinc/48/21/32/1066482132.db2.gz SXYRVYPHPCKSFJ-HJNYFJLDSA-N 1 1 457.619 3.228 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001302073005 1066484017 /nfs/dbraw/zinc/48/40/17/1066484017.db2.gz YFNNNBBOXYBMDR-GMAHTHKFSA-N 1 1 490.693 3.104 20 0 JGADMO COCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001301628880 1066488634 /nfs/dbraw/zinc/48/86/34/1066488634.db2.gz VRHXJOWTSVLJJS-OALUTQOASA-N 1 1 464.010 3.267 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301631038 1066492699 /nfs/dbraw/zinc/49/26/99/1066492699.db2.gz LLSNHVJWCJLNGX-HXUWFJFHSA-N 1 1 496.660 3.027 20 0 JGADMO COCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301632224 1066493830 /nfs/dbraw/zinc/49/38/30/1066493830.db2.gz FDHMNULQRKUUGI-UHFFFAOYSA-N 1 1 476.000 3.447 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001301636024 1066500297 /nfs/dbraw/zinc/50/02/97/1066500297.db2.gz YCGHRKKFCMCNKR-UHFFFAOYSA-N 1 1 461.614 3.309 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301637617 1066501332 /nfs/dbraw/zinc/50/13/32/1066501332.db2.gz DJMGETAQEIHNAP-GBXCKJPGSA-N 1 1 468.646 3.487 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301641405 1066505569 /nfs/dbraw/zinc/50/55/69/1066505569.db2.gz IPQURMCSQWDUPX-FQEVSTJZSA-N 1 1 484.693 3.099 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001302084183 1066507008 /nfs/dbraw/zinc/50/70/08/1066507008.db2.gz YXWYEZLOKQZKMO-FGZHOGPDSA-N 1 1 456.635 3.121 20 0 JGADMO COCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001301647414 1066510934 /nfs/dbraw/zinc/51/09/34/1066510934.db2.gz SFOFZXMYJUSWHK-BGYRXZFFSA-N 1 1 476.616 3.178 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C1 ZINC001301647211 1066510982 /nfs/dbraw/zinc/51/09/82/1066510982.db2.gz BTNABQVCQFEKHZ-JOCHJYFZSA-N 1 1 492.628 3.047 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302086982 1066511743 /nfs/dbraw/zinc/51/17/43/1066511743.db2.gz ORTZCRARTGOSGL-QHCPKHFHSA-N 1 1 488.721 3.432 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H]1CSCCS1 ZINC001302088758 1066515174 /nfs/dbraw/zinc/51/51/74/1066515174.db2.gz GZTHQISSAPFTNH-RXVVDRJESA-N 1 1 495.690 3.312 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCc1nc(C)c(C)s1 ZINC001302091924 1066520149 /nfs/dbraw/zinc/52/01/49/1066520149.db2.gz HBWAATAYINQTSK-HKUYNNGSSA-N 1 1 492.690 3.008 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(OC)cc1 ZINC001302093345 1066521051 /nfs/dbraw/zinc/52/10/51/1066521051.db2.gz MNYIPHXUTHEFIW-UXHICEINSA-N 1 1 457.619 3.370 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302095187 1066524704 /nfs/dbraw/zinc/52/47/04/1066524704.db2.gz SUBMQUFAICUPEW-NRFANRHFSA-N 1 1 490.693 3.105 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001302095820 1066525513 /nfs/dbraw/zinc/52/55/13/1066525513.db2.gz XJHZKFLDGKXFLV-XLNZFTOWSA-N 1 1 477.675 3.282 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001302095816 1066525539 /nfs/dbraw/zinc/52/55/39/1066525539.db2.gz XJHZKFLDGKXFLV-IECBHUPTSA-N 1 1 477.675 3.282 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1(O)CCCCCC1 ZINC001302096146 1066526714 /nfs/dbraw/zinc/52/67/14/1066526714.db2.gz PECNAPQRQUNTTO-QFIPXVFZSA-N 1 1 485.673 3.223 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301659625 1066528917 /nfs/dbraw/zinc/52/89/17/1066528917.db2.gz FQHVTDJSFHWQSY-TZBSWOFLSA-N 1 1 466.674 3.488 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302106060 1066540915 /nfs/dbraw/zinc/54/09/15/1066540915.db2.gz UYWFKHSOHCCAPL-PKTZIBPZSA-N 1 1 493.693 3.289 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001301666472 1066542721 /nfs/dbraw/zinc/54/27/21/1066542721.db2.gz SGBAAETWDKSWTI-XMMPIXPASA-N 1 1 482.673 3.052 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302107858 1066543726 /nfs/dbraw/zinc/54/37/26/1066543726.db2.gz MSPGQRFYJFOTGP-SJBKTWHCSA-N 1 1 461.607 3.293 20 0 JGADMO Cc1sc2nc(CCC(=O)N(C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)[nH]c(=O)c2c1C ZINC001301681072 1066563778 /nfs/dbraw/zinc/56/37/78/1066563778.db2.gz KEXFMDWAMYFHDM-XMMPIXPASA-N 1 1 454.596 3.042 20 0 JGADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001301681292 1066564037 /nfs/dbraw/zinc/56/40/37/1066564037.db2.gz LTIIZWBQAJFSIM-AOMKIAJQSA-N 1 1 452.521 3.261 20 0 JGADMO CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302122067 1066564662 /nfs/dbraw/zinc/56/46/62/1066564662.db2.gz VCGJZAQEQMPGHH-IRFCIJBXSA-N 1 1 460.667 3.381 20 0 JGADMO CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302122074 1066564711 /nfs/dbraw/zinc/56/47/11/1066564711.db2.gz VCGJZAQEQMPGHH-SVFBPWRDSA-N 1 1 460.667 3.381 20 0 JGADMO COCCOC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)CCOCC1 ZINC001302123100 1066567104 /nfs/dbraw/zinc/56/71/04/1066567104.db2.gz BKKZHIRLAVZYIK-UHFFFAOYSA-N 1 1 489.636 3.141 20 0 JGADMO COCCN(C)c1nnc(-c2cccc(Br)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301684439 1066567967 /nfs/dbraw/zinc/56/79/67/1066567967.db2.gz VUDZESXAYNKFRA-CALCHBBNSA-N 1 1 466.424 3.290 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001302135255 1066580843 /nfs/dbraw/zinc/58/08/43/1066580843.db2.gz FTQYOBPUCITIML-QFQXNSOFSA-N 1 1 455.647 3.323 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302139346 1066586585 /nfs/dbraw/zinc/58/65/85/1066586585.db2.gz CWCVZTFYFITUIP-GJZUVCINSA-N 1 1 473.637 3.341 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302139345 1066586612 /nfs/dbraw/zinc/58/66/12/1066586612.db2.gz CWCVZTFYFITUIP-BKMJKUGQSA-N 1 1 473.637 3.341 20 0 JGADMO COCCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001302142369 1066591721 /nfs/dbraw/zinc/59/17/21/1066591721.db2.gz UFUAZPHVGHPSIS-IRLDBZIGSA-N 1 1 471.646 3.097 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C)c(C)s3)C[C@@H]2C)CC1 ZINC001301707591 1066598398 /nfs/dbraw/zinc/59/83/98/1066598398.db2.gz DIKUQEVNTQWCOF-UWJYYQICSA-N 1 1 487.718 3.367 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC3CCOCC3)C[C@@H]2C)CC1 ZINC001301708248 1066599800 /nfs/dbraw/zinc/59/98/00/1066599800.db2.gz KHKJKRRVRNFVTA-NZQKXSOJSA-N 1 1 474.694 3.062 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCC3CCOCC3)C[C@@H]2C)CC1 ZINC001301708250 1066600014 /nfs/dbraw/zinc/60/00/14/1066600014.db2.gz KHKJKRRVRNFVTA-REWPJTCUSA-N 1 1 474.694 3.062 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3)C[C@H]2C)CC1 ZINC001301708394 1066600532 /nfs/dbraw/zinc/60/05/32/1066600532.db2.gz MKLPCNDGYXXGOB-RDGATRHJSA-N 1 1 495.716 3.481 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccc4F)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301708327 1066600725 /nfs/dbraw/zinc/60/07/25/1066600725.db2.gz LKBVBWGUEPJBBO-YKSBVNFPSA-N 1 1 486.636 3.278 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccc4F)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301708324 1066600796 /nfs/dbraw/zinc/60/07/96/1066600796.db2.gz LKBVBWGUEPJBBO-GBXCKJPGSA-N 1 1 486.636 3.278 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)c3ccccn3)C[C@H]2C)CC1 ZINC001301708499 1066601250 /nfs/dbraw/zinc/60/12/50/1066601250.db2.gz OBYVNNVQYIWVKQ-GGAORHGYSA-N 1 1 481.689 3.228 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708475 1066601403 /nfs/dbraw/zinc/60/14/03/1066601403.db2.gz NOKLBKZTPRFCEK-SQJMNOBHSA-N 1 1 497.688 3.090 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3ccccn3)C[C@@H]2C)CC1 ZINC001301708997 1066602059 /nfs/dbraw/zinc/60/20/59/1066602059.db2.gz RCLIPVZCNOTJPL-JTHBVZDNSA-N 1 1 496.704 3.143 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3CCCCS3)C[C@@H]2C)CC1 ZINC001301709378 1066602776 /nfs/dbraw/zinc/60/27/76/1066602776.db2.gz UQTJDSIRTPBQSX-KSEOMHKRSA-N 1 1 462.708 3.141 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCCCS3)C[C@H]2C)CC1 ZINC001301709375 1066602793 /nfs/dbraw/zinc/60/27/93/1066602793.db2.gz UQTJDSIRTPBQSX-BAGYTPMASA-N 1 1 462.708 3.141 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301709603 1066603699 /nfs/dbraw/zinc/60/36/99/1066603699.db2.gz UVHILTQHJRXZKH-SJLPKXTDSA-N 1 1 458.573 3.297 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCOc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001301710128 1066604108 /nfs/dbraw/zinc/60/41/08/1066604108.db2.gz XEBGOHMAAZXXKX-VWNXMTODSA-N 1 1 482.673 3.476 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCOc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001301710123 1066604201 /nfs/dbraw/zinc/60/42/01/1066604201.db2.gz XEBGOHMAAZXXKX-ISKFKSNPSA-N 1 1 482.673 3.476 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302153117 1066605880 /nfs/dbraw/zinc/60/58/80/1066605880.db2.gz WRDDEOUGIVDTII-SFTDATJTSA-N 1 1 475.609 3.073 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001302153557 1066607594 /nfs/dbraw/zinc/60/75/94/1066607594.db2.gz DVRKSEQUJYUUMB-HXUWFJFHSA-N 1 1 452.647 3.407 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301712552 1066608664 /nfs/dbraw/zinc/60/86/64/1066608664.db2.gz DGRJKDDRWDBNOP-GOSISDBHSA-N 1 1 494.040 3.065 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001301712995 1066610506 /nfs/dbraw/zinc/61/05/06/1066610506.db2.gz HYZVTJIEVCRZEM-HNNXBMFYSA-N 1 1 470.387 3.040 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302157412 1066613008 /nfs/dbraw/zinc/61/30/08/1066613008.db2.gz QGNAJZMGUMXBFH-FYYLOGMGSA-N 1 1 470.662 3.406 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001301713742 1066613654 /nfs/dbraw/zinc/61/36/54/1066613654.db2.gz OIMUCDOJXZPKGX-JOCHJYFZSA-N 1 1 451.015 3.357 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001301714584 1066616153 /nfs/dbraw/zinc/61/61/53/1066616153.db2.gz MZDWVRULXRHNTR-MSOLQXFVSA-N 1 1 469.565 3.209 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001301714776 1066616648 /nfs/dbraw/zinc/61/66/48/1066616648.db2.gz YJAZSDDHKUIWGQ-UHFFFAOYSA-N 1 1 493.027 3.155 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C)CC1 ZINC001301718496 1066620802 /nfs/dbraw/zinc/62/08/02/1066620802.db2.gz GLKLBUXQHFMRPG-QHCPKHFHSA-N 1 1 456.635 3.123 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001301719137 1066621428 /nfs/dbraw/zinc/62/14/28/1066621428.db2.gz NMGSYBUMOBQVNX-UHFFFAOYSA-N 1 1 460.667 3.133 20 0 JGADMO C[N@H+]1C[C@@]2(C)CN(C(=O)C3(NS(=O)(=O)c4ccc(Cl)cc4)CCCCC3)C[C@@]2(C)C1 ZINC001301719551 1066621437 /nfs/dbraw/zinc/62/14/37/1066621437.db2.gz YTHWUKXURCSGPY-OYRHEFFESA-N 1 1 454.036 3.121 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301720494 1066623716 /nfs/dbraw/zinc/62/37/16/1066623716.db2.gz FUGGBHNZSKKAAI-INIZCTEOSA-N 1 1 492.466 3.215 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001301721051 1066625464 /nfs/dbraw/zinc/62/54/64/1066625464.db2.gz HQZYTRPQYZYPIG-YUMYIRISSA-N 1 1 463.667 3.313 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(OC)CC1 ZINC001301721004 1066625541 /nfs/dbraw/zinc/62/55/41/1066625541.db2.gz DRALYGMEPOVFLU-NRFANRHFSA-N 1 1 483.455 3.020 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302164884 1066626244 /nfs/dbraw/zinc/62/62/44/1066626244.db2.gz HORBSTJTSQMRCO-NRFANRHFSA-N 1 1 476.616 3.318 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001301721551 1066627604 /nfs/dbraw/zinc/62/76/04/1066627604.db2.gz LQTPELXSFVKGEE-YUMYIRISSA-N 1 1 463.667 3.170 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301722232 1066629636 /nfs/dbraw/zinc/62/96/36/1066629636.db2.gz PUYOCTNCTMVSTM-CALCHBBNSA-N 1 1 495.455 3.420 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301722392 1066630371 /nfs/dbraw/zinc/63/03/71/1066630371.db2.gz OUXCKUWGPUETCU-WPYSJIMHSA-N 1 1 471.646 3.210 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001301722459 1066630387 /nfs/dbraw/zinc/63/03/87/1066630387.db2.gz QRTPCBUEAKXGHK-NQIIRXRSSA-N 1 1 463.598 3.387 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001301722466 1066630408 /nfs/dbraw/zinc/63/04/08/1066630408.db2.gz QZOWLBVIUSFILM-INIZCTEOSA-N 1 1 467.456 3.497 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001302169680 1066638377 /nfs/dbraw/zinc/63/83/77/1066638377.db2.gz UJLWRDUCTSTQCK-AEFFLSMTSA-N 1 1 484.428 3.214 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001302169683 1066638990 /nfs/dbraw/zinc/63/89/90/1066638990.db2.gz UJLWRDUCTSTQCK-WMZOPIPTSA-N 1 1 484.428 3.214 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001301726377 1066642834 /nfs/dbraw/zinc/64/28/34/1066642834.db2.gz RFMHIBKGOSZMSQ-UHFFFAOYSA-N 1 1 469.586 3.047 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(OC)c(OC)cc2C1 ZINC001301727306 1066644233 /nfs/dbraw/zinc/64/42/33/1066644233.db2.gz AYSDSZDNTHSNKB-UHFFFAOYSA-N 1 1 487.004 3.152 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001301727501 1066645185 /nfs/dbraw/zinc/64/51/85/1066645185.db2.gz DTNKTLOXTCGMRE-UHFFFAOYSA-N 1 1 495.628 3.129 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCC(C)(F)F ZINC001302173946 1066645604 /nfs/dbraw/zinc/64/56/04/1066645604.db2.gz MINMTNHSTQMBAS-LJQANCHMSA-N 1 1 465.589 3.474 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001301728135 1066647262 /nfs/dbraw/zinc/64/72/62/1066647262.db2.gz VQSVLVPBTCDVEN-FQEVSTJZSA-N 1 1 486.636 3.137 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001301729849 1066648642 /nfs/dbraw/zinc/64/86/42/1066648642.db2.gz NIYBHYWXMBSAAH-NRFANRHFSA-N 1 1 456.978 3.150 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001301730352 1066649111 /nfs/dbraw/zinc/64/91/11/1066649111.db2.gz UUPONMQGZOFARZ-UHFFFAOYSA-N 1 1 474.556 3.188 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001301732860 1066652593 /nfs/dbraw/zinc/65/25/93/1066652593.db2.gz VYJQNDPJKWOQIQ-CTNGQTDRSA-N 1 1 476.666 3.350 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001301733245 1066653371 /nfs/dbraw/zinc/65/33/71/1066653371.db2.gz XEWXRKUAONGHBZ-HXUWFJFHSA-N 1 1 451.974 3.494 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001301733494 1066653945 /nfs/dbraw/zinc/65/39/45/1066653945.db2.gz GMAPMDXBEMYAIU-LJQANCHMSA-N 1 1 473.572 3.072 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 ZINC001301733781 1066654717 /nfs/dbraw/zinc/65/47/17/1066654717.db2.gz IXFVWEILQJXOTF-DEOSSOPVSA-N 1 1 465.646 3.410 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC001301735060 1066656569 /nfs/dbraw/zinc/65/65/69/1066656569.db2.gz UPQRSVCQZXTGMH-PZJWPPBQSA-N 1 1 453.635 3.218 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 ZINC001301734975 1066656666 /nfs/dbraw/zinc/65/66/66/1066656666.db2.gz UIVQVKDALADJFM-UHFFFAOYSA-N 1 1 458.607 3.427 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC=C(Br)C1 ZINC001301735492 1066657259 /nfs/dbraw/zinc/65/72/59/1066657259.db2.gz BNNQSMLTRNAWGI-UHFFFAOYSA-N 1 1 473.419 3.348 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001301735328 1066657335 /nfs/dbraw/zinc/65/73/35/1066657335.db2.gz YMXWKAJPOWFCFT-UHFFFAOYSA-N 1 1 496.700 3.230 20 0 JGADMO COCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001301735775 1066658064 /nfs/dbraw/zinc/65/80/64/1066658064.db2.gz DIRAHVNJGXFROE-UHFFFAOYSA-N 1 1 486.642 3.030 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001301737126 1066659298 /nfs/dbraw/zinc/65/92/98/1066659298.db2.gz UTIIXEKMAVIPSB-QGZVFWFLSA-N 1 1 456.541 3.244 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@@H]1C ZINC001301736905 1066659355 /nfs/dbraw/zinc/65/93/55/1066659355.db2.gz QFIGNEHFLANATQ-INIZCTEOSA-N 1 1 484.464 3.140 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001301739525 1066659976 /nfs/dbraw/zinc/65/99/76/1066659976.db2.gz AIRGGGAARSGGPU-MOPGFXCFSA-N 1 1 466.671 3.283 20 0 JGADMO COCC[N@@H+](C)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C ZINC001301740064 1066660783 /nfs/dbraw/zinc/66/07/83/1066660783.db2.gz IOKZZIWFLHPFRS-KZNAEPCWSA-N 1 1 467.565 3.295 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001301741972 1066664451 /nfs/dbraw/zinc/66/44/51/1066664451.db2.gz STMANLUVEZMSEQ-XPWALMASSA-N 1 1 489.636 3.492 20 0 JGADMO COCCOC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001302188851 1066667792 /nfs/dbraw/zinc/66/77/92/1066667792.db2.gz CEGREDVPNHXAHM-NRFANRHFSA-N 1 1 494.681 3.322 20 0 JGADMO CC(C)(C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302189423 1066668431 /nfs/dbraw/zinc/66/84/31/1066668431.db2.gz TVKXXXFXEVSGER-ZCNNSNEGSA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)(C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302189423 1066668439 /nfs/dbraw/zinc/66/84/39/1066668439.db2.gz TVKXXXFXEVSGER-ZCNNSNEGSA-N 1 1 476.666 3.396 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC001301744998 1066671195 /nfs/dbraw/zinc/67/11/95/1066671195.db2.gz PCVZJNDKRNBBBE-UXHICEINSA-N 1 1 489.064 3.080 20 0 JGADMO COCCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[C@@H](C)C1 ZINC001301747833 1066675832 /nfs/dbraw/zinc/67/58/32/1066675832.db2.gz GNISTJZCSXETCB-XWSHUIEDSA-N 1 1 473.666 3.208 20 0 JGADMO CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301750630 1066681162 /nfs/dbraw/zinc/68/11/62/1066681162.db2.gz SXJPEVJSPJVYHN-QFIPXVFZSA-N 1 1 468.646 3.223 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001302195930 1066685883 /nfs/dbraw/zinc/68/58/83/1066685883.db2.gz XNMGRWXQNKRVOZ-SFHVURJKSA-N 1 1 480.535 3.487 20 0 JGADMO COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CC[C@@H](C)C1 ZINC001301757352 1066690414 /nfs/dbraw/zinc/69/04/14/1066690414.db2.gz LQKBPUCFMPGALV-CIAFKFPVSA-N 1 1 495.734 3.332 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301757999 1066692779 /nfs/dbraw/zinc/69/27/79/1066692779.db2.gz FXGZEIKROXDFDJ-QHCPKHFHSA-N 1 1 468.646 3.263 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001302200359 1066694116 /nfs/dbraw/zinc/69/41/16/1066694116.db2.gz NBVSCMAYDLUOQF-MOPGFXCFSA-N 1 1 488.599 3.093 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCOCC2CCOCC2)CC1 ZINC001302200839 1066695363 /nfs/dbraw/zinc/69/53/63/1066695363.db2.gz SFZGEDZVUWFUBX-JOCHJYFZSA-N 1 1 463.667 3.316 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCCOC(C)C)C[C@@H]2C)CC1 ZINC001301762935 1066702112 /nfs/dbraw/zinc/70/21/12/1066702112.db2.gz DHAQSWDKKABNHQ-SIKLNZKXSA-N 1 1 472.634 3.041 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001301763146 1066702657 /nfs/dbraw/zinc/70/26/57/1066702657.db2.gz DEFOKFFBDXUKEY-IAGOWNOFSA-N 1 1 475.435 3.106 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H](C)Oc4ccccc4F)n3CC(C)C)C[C@H]2C)CC1 ZINC001301763676 1066703659 /nfs/dbraw/zinc/70/36/59/1066703659.db2.gz GVWIIIKDCWQIJY-XQBPLPMBSA-N 1 1 472.609 3.202 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCCSCC(C)C)C[C@H]2C)CC1 ZINC001301763507 1066703686 /nfs/dbraw/zinc/70/36/86/1066703686.db2.gz GTKQWTPHPRLDSJ-CTNGQTDRSA-N 1 1 450.697 3.170 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)Cc2ccccn2)CC1 ZINC001301766007 1066707313 /nfs/dbraw/zinc/70/73/13/1066707313.db2.gz ARYAMFSJTZRNIY-UHFFFAOYSA-N 1 1 488.423 3.447 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(OC(C)C)cc3)C[C@H]2C)CC1 ZINC001301767149 1066708520 /nfs/dbraw/zinc/70/85/20/1066708520.db2.gz PLLZVVMJWBPOKG-HYBUGGRVSA-N 1 1 482.673 3.400 20 0 JGADMO CC(C)(C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001302210310 1066709094 /nfs/dbraw/zinc/70/90/94/1066709094.db2.gz KPOFYWFNMVYPPD-UHFFFAOYSA-N 1 1 479.604 3.030 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C)n3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001301767323 1066709095 /nfs/dbraw/zinc/70/90/95/1066709095.db2.gz QIOSPWZEVLDQCB-UHFFFAOYSA-N 1 1 468.005 3.102 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCSCC(C)C)C[C@H]2C)CC1 ZINC001301767221 1066709285 /nfs/dbraw/zinc/70/92/85/1066709285.db2.gz PTEJLQTVOUEEDA-XXBNENTESA-N 1 1 485.702 3.027 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001301767256 1066709392 /nfs/dbraw/zinc/70/93/92/1066709392.db2.gz QBAOVFYSCPTBOA-MAUKXSAKSA-N 1 1 481.979 3.028 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301767257 1066709404 /nfs/dbraw/zinc/70/94/04/1066709404.db2.gz QBAOVFYSCPTBOA-QAPCUYQASA-N 1 1 481.979 3.028 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CCCc4ccccc4)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001301767604 1066709852 /nfs/dbraw/zinc/70/98/52/1066709852.db2.gz RDGKWDBHBDDOMK-NZQKXSOJSA-N 1 1 488.627 3.488 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccccc4C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301768609 1066711580 /nfs/dbraw/zinc/71/15/80/1066711580.db2.gz XQERNBOYQXITHS-ZEQKJWHPSA-N 1 1 496.700 3.229 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)cc3)C[C@H]2C)CC1 ZINC001301768811 1066712375 /nfs/dbraw/zinc/71/23/75/1066712375.db2.gz YZYGUZCXQYVCMK-XXBNENTESA-N 1 1 470.637 3.237 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301780088 1066729065 /nfs/dbraw/zinc/72/90/65/1066729065.db2.gz MRSUNWHINKFNHQ-BGYRXZFFSA-N 1 1 485.633 3.121 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001301781506 1066731059 /nfs/dbraw/zinc/73/10/59/1066731059.db2.gz YICWMFONFNZQHJ-XMMPIXPASA-N 1 1 474.005 3.143 20 0 JGADMO COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001301783556 1066732683 /nfs/dbraw/zinc/73/26/83/1066732683.db2.gz QXDSXIDTIKOXHA-FQEVSTJZSA-N 1 1 451.596 3.376 20 0 JGADMO COCCN(Cc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001301788203 1066737662 /nfs/dbraw/zinc/73/76/62/1066737662.db2.gz FEFQABBSGYRGKR-UHFFFAOYSA-N 1 1 488.036 3.266 20 0 JGADMO COCCN(Cc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001301788203 1066737672 /nfs/dbraw/zinc/73/76/72/1066737672.db2.gz FEFQABBSGYRGKR-UHFFFAOYSA-N 1 1 488.036 3.266 20 0 JGADMO COCCN(Cc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001301788203 1066737679 /nfs/dbraw/zinc/73/76/79/1066737679.db2.gz FEFQABBSGYRGKR-UHFFFAOYSA-N 1 1 488.036 3.266 20 0 JGADMO CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001302226730 1066739874 /nfs/dbraw/zinc/73/98/74/1066739874.db2.gz LAIGQRMROYOTDY-QFIPXVFZSA-N 1 1 458.647 3.346 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCC(F)(F)F ZINC001302230777 1066746100 /nfs/dbraw/zinc/74/61/00/1066746100.db2.gz BSUBNFDGCPKHTO-IRXDYDNUSA-N 1 1 488.555 3.213 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCC(F)(F)F ZINC001302230777 1066746106 /nfs/dbraw/zinc/74/61/06/1066746106.db2.gz BSUBNFDGCPKHTO-IRXDYDNUSA-N 1 1 488.555 3.213 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302238314 1066759098 /nfs/dbraw/zinc/75/90/98/1066759098.db2.gz PVJYYGWKBJTWTQ-URLVKDPJSA-N 1 1 475.609 3.307 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301807452 1066760782 /nfs/dbraw/zinc/76/07/82/1066760782.db2.gz GOAUKXFWLOTQJE-JSFXGIFRSA-N 1 1 460.667 3.176 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301807453 1066760863 /nfs/dbraw/zinc/76/08/63/1066760863.db2.gz GOAUKXFWLOTQJE-UBHSMVFVSA-N 1 1 460.667 3.176 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001302240788 1066764645 /nfs/dbraw/zinc/76/46/45/1066764645.db2.gz GHXVNJILCFNVJT-HXUWFJFHSA-N 1 1 462.639 3.152 20 0 JGADMO COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001301816584 1066773258 /nfs/dbraw/zinc/77/32/58/1066773258.db2.gz RCFIPESSZQASIU-UHFFFAOYSA-N 1 1 463.026 3.065 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301817084 1066773968 /nfs/dbraw/zinc/77/39/68/1066773968.db2.gz AWQPVSQSNFRGDM-QHCPKHFHSA-N 1 1 482.673 3.458 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301817084 1066773983 /nfs/dbraw/zinc/77/39/83/1066773983.db2.gz AWQPVSQSNFRGDM-QHCPKHFHSA-N 1 1 482.673 3.458 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001301817355 1066775303 /nfs/dbraw/zinc/77/53/03/1066775303.db2.gz ZPDWOKIPOSSPBQ-FCHUYYIVSA-N 1 1 475.037 3.060 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301818473 1066778521 /nfs/dbraw/zinc/77/85/21/1066778521.db2.gz MNDPDMUFGNSVLD-QAPCUYQASA-N 1 1 481.428 3.078 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2c(C)noc2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302247870 1066778975 /nfs/dbraw/zinc/77/89/75/1066778975.db2.gz HLNADLLKVCWXHS-JBACZVJFSA-N 1 1 460.623 3.364 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001301819978 1066781314 /nfs/dbraw/zinc/78/13/14/1066781314.db2.gz XTEMKYXCZDQHTF-CTNGQTDRSA-N 1 1 474.053 3.466 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001301824883 1066787690 /nfs/dbraw/zinc/78/76/90/1066787690.db2.gz PBYMSOJUZGBZFX-FGZHOGPDSA-N 1 1 453.635 3.121 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(F)c2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302251834 1066788358 /nfs/dbraw/zinc/78/83/58/1066788358.db2.gz ZHJUMNQVLWFNDL-PMVMPFDFSA-N 1 1 475.609 3.134 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CC3CCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302252529 1066789951 /nfs/dbraw/zinc/78/99/51/1066789951.db2.gz SYRFTJLLTLVNKN-FCHUYYIVSA-N 1 1 490.693 3.351 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301829687 1066795533 /nfs/dbraw/zinc/79/55/33/1066795533.db2.gz VDUQEJBYDQLLMI-MZKRTTBSSA-N 1 1 467.662 3.125 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001301830062 1066795980 /nfs/dbraw/zinc/79/59/80/1066795980.db2.gz YDTIEFBABVTANZ-NZQKXSOJSA-N 1 1 453.635 3.023 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001301830063 1066796073 /nfs/dbraw/zinc/79/60/73/1066796073.db2.gz YDTIEFBABVTANZ-OFNKIYASSA-N 1 1 453.635 3.023 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301832564 1066799305 /nfs/dbraw/zinc/79/93/05/1066799305.db2.gz LWPRZBNWFIIBRR-AOHZBQACSA-N 1 1 498.672 3.078 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001301835831 1066804497 /nfs/dbraw/zinc/80/44/97/1066804497.db2.gz ATHYCSKPRAVPJM-HNNXBMFYSA-N 1 1 493.425 3.436 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001301836815 1066807815 /nfs/dbraw/zinc/80/78/15/1066807815.db2.gz SZBATGIDZCUGQP-HNNXBMFYSA-N 1 1 462.545 3.134 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCc1cccc(C)c1 ZINC001302260706 1066808009 /nfs/dbraw/zinc/80/80/09/1066808009.db2.gz JQOOJGVDCZBYQL-GOTSBHOMSA-N 1 1 471.646 3.100 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCc1cccc(C)c1 ZINC001302260706 1066808016 /nfs/dbraw/zinc/80/80/16/1066808016.db2.gz JQOOJGVDCZBYQL-GOTSBHOMSA-N 1 1 471.646 3.100 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001302261164 1066808528 /nfs/dbraw/zinc/80/85/28/1066808528.db2.gz OYHCYTWHLKWBAP-KVMFQRFPSA-N 1 1 489.636 3.490 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001302261164 1066808536 /nfs/dbraw/zinc/80/85/36/1066808536.db2.gz OYHCYTWHLKWBAP-KVMFQRFPSA-N 1 1 489.636 3.490 20 0 JGADMO COCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001301841102 1066812607 /nfs/dbraw/zinc/81/26/07/1066812607.db2.gz CPDFYMCGVLXRCM-TZIWHRDSSA-N 1 1 482.654 3.405 20 0 JGADMO COCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001301843048 1066813752 /nfs/dbraw/zinc/81/37/52/1066813752.db2.gz FXWAOUMFGVMRKU-BDTNDASRSA-N 1 1 484.645 3.406 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301846824 1066820668 /nfs/dbraw/zinc/82/06/68/1066820668.db2.gz LMYJAUGEFXTBGL-SFTDATJTSA-N 1 1 468.646 3.391 20 0 JGADMO CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001302267038 1066824871 /nfs/dbraw/zinc/82/48/71/1066824871.db2.gz XJOVURWORPJFSL-HXUWFJFHSA-N 1 1 490.674 3.471 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001301854333 1066833399 /nfs/dbraw/zinc/83/33/99/1066833399.db2.gz VJMGMBSGFDTUCT-NRFANRHFSA-N 1 1 482.032 3.478 20 0 JGADMO CC(C)(C)OC(=O)NCCn1c(C2CCC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001302275310 1066838980 /nfs/dbraw/zinc/83/89/80/1066838980.db2.gz OSVNLSOKRZBAPD-UHFFFAOYSA-N 1 1 470.618 3.271 20 0 JGADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(I)c1O ZINC001302280742 1066848642 /nfs/dbraw/zinc/84/86/42/1066848642.db2.gz HBBRHUFCLUNBOL-HOCLYGCPSA-N 1 1 450.320 3.495 20 0 JGADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(I)c1O ZINC001302280742 1066848646 /nfs/dbraw/zinc/84/86/46/1066848646.db2.gz HBBRHUFCLUNBOL-HOCLYGCPSA-N 1 1 450.320 3.495 20 0 JGADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(I)c1O ZINC001302280743 1066848694 /nfs/dbraw/zinc/84/86/94/1066848694.db2.gz HBBRHUFCLUNBOL-ZBFHGGJFSA-N 1 1 450.320 3.495 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(I)c1O ZINC001302280743 1066848697 /nfs/dbraw/zinc/84/86/97/1066848697.db2.gz HBBRHUFCLUNBOL-ZBFHGGJFSA-N 1 1 450.320 3.495 20 0 JGADMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)cc1 ZINC001301865480 1066856072 /nfs/dbraw/zinc/85/60/72/1066856072.db2.gz HMTKSMBJVCYMTP-PLQXJYEYSA-N 1 1 455.624 3.358 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001301867807 1066859044 /nfs/dbraw/zinc/85/90/44/1066859044.db2.gz NFJMJDJZWYYNSH-LOSJGSFVSA-N 1 1 482.673 3.120 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301867479 1066859177 /nfs/dbraw/zinc/85/91/77/1066859177.db2.gz MUEZDAPJBYSSNM-NHCUHLMSSA-N 1 1 473.691 3.107 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2(O)CCC2)C1 ZINC001302289477 1066867119 /nfs/dbraw/zinc/86/71/19/1066867119.db2.gz FZVFPGNKYFOJKE-KDURUIRLSA-N 1 1 476.666 3.274 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301872236 1066867702 /nfs/dbraw/zinc/86/77/02/1066867702.db2.gz LSSXAZQCSUUVSY-SJBKTWHCSA-N 1 1 486.636 3.469 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC=CCC2)CC1 ZINC001301876263 1066877306 /nfs/dbraw/zinc/87/73/06/1066877306.db2.gz ZJJFVYJKSHPCMK-NRFANRHFSA-N 1 1 452.603 3.272 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001301875667 1066877442 /nfs/dbraw/zinc/87/74/42/1066877442.db2.gz URTAARZIHCTPLH-UHFFFAOYSA-N 1 1 464.614 3.366 20 0 JGADMO COCCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001301877186 1066878674 /nfs/dbraw/zinc/87/86/74/1066878674.db2.gz JZGAAVBOSZQXIM-URVUXULASA-N 1 1 458.651 3.142 20 0 JGADMO COCCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001301877184 1066878754 /nfs/dbraw/zinc/87/87/54/1066878754.db2.gz JZGAAVBOSZQXIM-ONTIZHBOSA-N 1 1 458.651 3.142 20 0 JGADMO COCCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301877254 1066879503 /nfs/dbraw/zinc/87/95/03/1066879503.db2.gz LENUNPDFJKVCFG-QHCPKHFHSA-N 1 1 468.646 3.065 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccccn2)C[C@@H]1C ZINC001301877716 1066879633 /nfs/dbraw/zinc/87/96/33/1066879633.db2.gz QWVCIMHEMDNWHW-PMACEKPBSA-N 1 1 468.577 3.352 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(F)(F)Br)CC1 ZINC001301877880 1066880127 /nfs/dbraw/zinc/88/01/27/1066880127.db2.gz RTFOICXPORCOKD-AWEZNQCLSA-N 1 1 492.340 3.313 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)cc(C)cc2C)CC1 ZINC001301877924 1066880333 /nfs/dbraw/zinc/88/03/33/1066880333.db2.gz SUDGNRPISJBGME-AREMUKBSSA-N 1 1 471.646 3.061 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2snnc2C)CC1 ZINC001301878291 1066881754 /nfs/dbraw/zinc/88/17/54/1066881754.db2.gz WBPPQXWEBNKOHG-INIZCTEOSA-N 1 1 478.022 3.048 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301880290 1066885520 /nfs/dbraw/zinc/88/55/20/1066885520.db2.gz SPRAWQKWUQUORD-BGYRXZFFSA-N 1 1 467.662 3.449 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccccc3F)n2CCCCn2cc[nH+]c2C)CC1 ZINC001301880590 1066885995 /nfs/dbraw/zinc/88/59/95/1066885995.db2.gz YGFIILWKDCWXIL-UHFFFAOYSA-N 1 1 453.566 3.422 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001301881160 1066887677 /nfs/dbraw/zinc/88/76/77/1066887677.db2.gz CGHHVEONRQVZSI-XLIONFOSSA-N 1 1 478.435 3.027 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@](=O)C(C)(C)C)C[C@@H]1C ZINC001301881336 1066887988 /nfs/dbraw/zinc/88/79/88/1066887988.db2.gz DIJJKDBJDTWBPV-MYGHRHJXSA-N 1 1 468.067 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@](=O)C(C)(C)C)C[C@@H]1C ZINC001301881336 1066887998 /nfs/dbraw/zinc/88/79/98/1066887998.db2.gz DIJJKDBJDTWBPV-MYGHRHJXSA-N 1 1 468.067 3.303 20 0 JGADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001301881949 1066889291 /nfs/dbraw/zinc/88/92/91/1066889291.db2.gz PHTFOTPBFWPODN-XMSQKQJNSA-N 1 1 459.537 3.272 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001301882360 1066889558 /nfs/dbraw/zinc/88/95/58/1066889558.db2.gz ODGOOTLKQBCGSL-RTBURBONSA-N 1 1 475.037 3.014 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001301882339 1066889836 /nfs/dbraw/zinc/88/98/36/1066889836.db2.gz NTJAOAQKITWASZ-ICSRJNTNSA-N 1 1 478.435 3.291 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001302303422 1066890250 /nfs/dbraw/zinc/89/02/50/1066890250.db2.gz GJZQPCMAICTOOF-UWDQQESISA-N 1 1 475.634 3.040 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001301882610 1066890331 /nfs/dbraw/zinc/89/03/31/1066890331.db2.gz PJYZZMGWXRLNDF-UHFFFAOYSA-N 1 1 474.959 3.251 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(OC)CCCCC2)CC1 ZINC001301882625 1066890444 /nfs/dbraw/zinc/89/04/44/1066890444.db2.gz QHCWHPITIMGHCS-UHFFFAOYSA-N 1 1 495.466 3.164 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCCn1ccnc1C ZINC001302303595 1066890468 /nfs/dbraw/zinc/89/04/68/1066890468.db2.gz JJPTUAXSACHCLQ-VXKWHMMOSA-N 1 1 473.666 3.298 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)cc2OC)CC1 ZINC001301883629 1066892091 /nfs/dbraw/zinc/89/20/91/1066892091.db2.gz ZIOPVXCSDJNAOF-UHFFFAOYSA-N 1 1 489.418 3.169 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001302304334 1066892232 /nfs/dbraw/zinc/89/22/32/1066892232.db2.gz WFFPTFCABRGQGY-KSZLIROESA-N 1 1 477.572 3.280 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2[C@@H]2C[C@H]2CF)C[C@@H]1C ZINC001301884360 1066892976 /nfs/dbraw/zinc/89/29/76/1066892976.db2.gz ALGWJVNWCVKMQO-YZVOILCLSA-N 1 1 482.398 3.404 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(F)(F)F)C[C@H]1C ZINC001301885577 1066894132 /nfs/dbraw/zinc/89/41/32/1066894132.db2.gz KESPRARJKYNTIT-CYBMUJFWSA-N 1 1 462.314 3.427 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC(O)(c4cccc(Br)c4)C3)cc2)C[C@H](C)O1 ZINC001302305857 1066895265 /nfs/dbraw/zinc/89/52/65/1066895265.db2.gz AWENYPBWAJQDFC-CALCHBBNSA-N 1 1 459.384 3.402 20 0 JGADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC(O)(c4cccc(Br)c4)C3)cc2)C[C@H](C)O1 ZINC001302305857 1066895271 /nfs/dbraw/zinc/89/52/71/1066895271.db2.gz AWENYPBWAJQDFC-CALCHBBNSA-N 1 1 459.384 3.402 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001301886149 1066896070 /nfs/dbraw/zinc/89/60/70/1066896070.db2.gz FZROFURMQMCIRN-KRWDZBQOSA-N 1 1 459.038 3.358 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(O)CCC2)C[C@@H]1C ZINC001301887248 1066900250 /nfs/dbraw/zinc/90/02/50/1066900250.db2.gz GUONWQKSCHMXKJ-KRWDZBQOSA-N 1 1 464.010 3.069 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001301887283 1066900408 /nfs/dbraw/zinc/90/04/08/1066900408.db2.gz IAWPTAPZAKYYQL-SFHVURJKSA-N 1 1 477.053 3.248 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001301887464 1066901015 /nfs/dbraw/zinc/90/10/15/1066901015.db2.gz HNLOINHVBVGDQC-QGZVFWFLSA-N 1 1 456.978 3.207 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2cccc(C)n2)C[C@@H]1C ZINC001301887783 1066901650 /nfs/dbraw/zinc/90/16/50/1066901650.db2.gz KZVNQEHFGHFNPZ-FQEVSTJZSA-N 1 1 480.613 3.065 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C ZINC001301887891 1066901875 /nfs/dbraw/zinc/90/18/75/1066901875.db2.gz JTEMYGLOSPWFEK-SFHVURJKSA-N 1 1 470.021 3.265 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+](C)C(C)C)CC1 ZINC001301888060 1066902007 /nfs/dbraw/zinc/90/20/07/1066902007.db2.gz UCQJHCHURZBEHM-UHFFFAOYSA-N 1 1 462.589 3.230 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001301887890 1066902128 /nfs/dbraw/zinc/90/21/28/1066902128.db2.gz JTEMYGLOSPWFEK-GOSISDBHSA-N 1 1 470.021 3.265 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](COC)OC)C[C@@H]1C ZINC001301888439 1066903027 /nfs/dbraw/zinc/90/30/27/1066903027.db2.gz PEULBHDPRZEXIU-DOTOQJQBSA-N 1 1 472.417 3.070 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001301888193 1066903300 /nfs/dbraw/zinc/90/33/00/1066903300.db2.gz NVAOQCIODFZJGZ-YLJYHZDGSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(F)c(COC)c2)C[C@H]1C ZINC001301888346 1066903654 /nfs/dbraw/zinc/90/36/54/1066903654.db2.gz MQIYHJWPDDRZPG-QGZVFWFLSA-N 1 1 457.550 3.337 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001301888349 1066903717 /nfs/dbraw/zinc/90/37/17/1066903717.db2.gz MRBCKARSKGWCKS-KRWDZBQOSA-N 1 1 452.559 3.010 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1ccc(Cl)cc1F ZINC001302310566 1066904040 /nfs/dbraw/zinc/90/40/40/1066904040.db2.gz ASORHKOOGHSLOE-UGKGYDQZSA-N 1 1 496.027 3.390 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cc(C)nn2C)CC1 ZINC001301888417 1066904210 /nfs/dbraw/zinc/90/42/10/1066904210.db2.gz OEWNMNGQOJETPB-UHFFFAOYSA-N 1 1 451.619 3.101 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cscc2C)CC1 ZINC001301888489 1066904303 /nfs/dbraw/zinc/90/43/03/1066904303.db2.gz QRVJODDPQYNQBP-UHFFFAOYSA-N 1 1 457.600 3.149 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301888791 1066904992 /nfs/dbraw/zinc/90/49/92/1066904992.db2.gz PITCBGNWZGEOTQ-WOJBJXKFSA-N 1 1 461.054 3.487 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H](SC)C(C)(C)C ZINC001302311698 1066905584 /nfs/dbraw/zinc/90/55/84/1066905584.db2.gz PABYYYPBWDINPJ-MUGJNUQGSA-N 1 1 451.681 3.454 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)n1C[C@H](C)SC ZINC001302311872 1066906395 /nfs/dbraw/zinc/90/63/95/1066906395.db2.gz NCPGSISUGMJYSR-JTAQYXEDSA-N 1 1 489.686 3.393 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(N(C)C)c2)C[C@H]1C ZINC001301889269 1066906841 /nfs/dbraw/zinc/90/68/41/1066906841.db2.gz YXYYOFKVRNRFRE-GOSISDBHSA-N 1 1 470.021 3.265 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2(O)CCOCC2)C[C@H]1C ZINC001301889408 1066907206 /nfs/dbraw/zinc/90/72/06/1066907206.db2.gz XKVWZELMPKGWAS-OAQYLSRUSA-N 1 1 485.673 3.331 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301889476 1066907873 /nfs/dbraw/zinc/90/78/73/1066907873.db2.gz ZSJFTHXHHGDNJU-GOSISDBHSA-N 1 1 476.622 3.260 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302315754 1066913138 /nfs/dbraw/zinc/91/31/38/1066913138.db2.gz NNAJJKNHWZZFJJ-IMIIHFCZSA-N 1 1 493.693 3.000 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001301892974 1066914305 /nfs/dbraw/zinc/91/43/05/1066914305.db2.gz XZOTWXIHWZKCQA-PKTZIBPZSA-N 1 1 454.663 3.470 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001301892974 1066914311 /nfs/dbraw/zinc/91/43/11/1066914311.db2.gz XZOTWXIHWZKCQA-PKTZIBPZSA-N 1 1 454.663 3.470 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C ZINC001301895826 1066916315 /nfs/dbraw/zinc/91/63/15/1066916315.db2.gz AGJMXRGGRSCILB-SFHVURJKSA-N 1 1 470.021 3.265 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(Cl)c(OC)c2)CC1 ZINC001301895800 1066916347 /nfs/dbraw/zinc/91/63/47/1066916347.db2.gz JTBYIYJRJBKUAX-UHFFFAOYSA-N 1 1 456.978 3.013 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301895861 1066917235 /nfs/dbraw/zinc/91/72/35/1066917235.db2.gz AYDDNNAHRGECJX-UHFFFAOYSA-N 1 1 461.054 3.489 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC001301895958 1066917533 /nfs/dbraw/zinc/91/75/33/1066917533.db2.gz LLRFFDLFROXKRS-INIZCTEOSA-N 1 1 476.503 3.286 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCCC2=O)C[C@H]1C ZINC001301896023 1066917747 /nfs/dbraw/zinc/91/77/47/1066917747.db2.gz CIWKENKBAWDIDN-LJQANCHMSA-N 1 1 475.037 3.158 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301896017 1066917945 /nfs/dbraw/zinc/91/79/45/1066917945.db2.gz CGPYKAKPBVUVOW-VQTJNVASSA-N 1 1 461.054 3.487 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301896018 1066918217 /nfs/dbraw/zinc/91/82/17/1066918217.db2.gz CGPYKAKPBVUVOW-WOJBJXKFSA-N 1 1 461.054 3.487 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCCOc2ccc(C)cc2)C[C@@H]1C ZINC001301896192 1066918545 /nfs/dbraw/zinc/91/85/45/1066918545.db2.gz PDWIUXCGPDXBII-NRFANRHFSA-N 1 1 450.587 3.275 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001301896944 1066920657 /nfs/dbraw/zinc/92/06/57/1066920657.db2.gz ROBBHEIHYUPJTP-UHFFFAOYSA-N 1 1 476.597 3.110 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)Cc2ccc(OC)cc2)C[C@@H]1C ZINC001301897777 1066921260 /nfs/dbraw/zinc/92/12/60/1066921260.db2.gz ARHXGKBFKSCBPL-PMACEKPBSA-N 1 1 452.603 3.318 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CSCCS2)CC1 ZINC001301897642 1066921550 /nfs/dbraw/zinc/92/15/50/1066921550.db2.gz ZYZZARMMNGYCCU-MRXNPFEDSA-N 1 1 498.516 3.325 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301898324 1066922176 /nfs/dbraw/zinc/92/21/76/1066922176.db2.gz LBQILEVSHOYVPY-NFBKMPQASA-N 1 1 451.619 3.041 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001301898247 1066922323 /nfs/dbraw/zinc/92/23/23/1066922323.db2.gz JGUMZBZQQXTNCE-IBGZPJMESA-N 1 1 480.617 3.008 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001301898704 1066923017 /nfs/dbraw/zinc/92/30/17/1066923017.db2.gz NWTIZDALQQJCHP-UHFFFAOYSA-N 1 1 452.456 3.248 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(OC)OC)c2)C[C@H]1C ZINC001301899326 1066924174 /nfs/dbraw/zinc/92/41/74/1066924174.db2.gz DBEIIYJYIPOXKC-HXUWFJFHSA-N 1 1 480.613 3.145 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)C2CCCCC2)C[C@H]1C ZINC001301900417 1066925286 /nfs/dbraw/zinc/92/52/86/1066925286.db2.gz LCZLIGKAXRQLCO-NLFFAJNJSA-N 1 1 456.635 3.137 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C)ccc2OC)C[C@H]1C ZINC001301901328 1066926507 /nfs/dbraw/zinc/92/65/07/1066926507.db2.gz QAMBGJJNHFFXSV-OAQYLSRUSA-N 1 1 464.614 3.365 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)COC)CC1 ZINC001301901360 1066926547 /nfs/dbraw/zinc/92/65/47/1066926547.db2.gz QWPNVPYCGVINLT-UHFFFAOYSA-N 1 1 454.575 3.041 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001301903289 1066928850 /nfs/dbraw/zinc/92/88/50/1066928850.db2.gz WPGBJLNIBODJKF-KSSFIOAISA-N 1 1 481.428 3.076 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301904575 1066930109 /nfs/dbraw/zinc/93/01/09/1066930109.db2.gz RWKOXVBIEZBZRU-SVFBPWRDSA-N 1 1 489.064 3.308 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001301906885 1066931406 /nfs/dbraw/zinc/93/14/06/1066931406.db2.gz HXZDXQUEGHCXGT-INIZCTEOSA-N 1 1 464.010 3.421 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001301907484 1066931700 /nfs/dbraw/zinc/93/17/00/1066931700.db2.gz NLXUGMOWJFDZQE-UWJYYQICSA-N 1 1 462.589 3.284 20 0 JGADMO COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301909365 1066933176 /nfs/dbraw/zinc/93/31/76/1066933176.db2.gz AHUYDQBKLTZLBQ-AUSIDOKSSA-N 1 1 490.643 3.424 20 0 JGADMO COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301909365 1066933187 /nfs/dbraw/zinc/93/31/87/1066933187.db2.gz AHUYDQBKLTZLBQ-AUSIDOKSSA-N 1 1 490.643 3.424 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(N3CCCCC3)c2)C[C@H]1C ZINC001301909936 1066934234 /nfs/dbraw/zinc/93/42/34/1066934234.db2.gz SWQSXWMXRFKGKX-OAQYLSRUSA-N 1 1 469.678 3.457 20 0 JGADMO COCCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC001301909984 1066934310 /nfs/dbraw/zinc/93/43/10/1066934310.db2.gz AYXIIOZNIPVQBE-ISKFKSNPSA-N 1 1 476.710 3.435 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCSCc2ccccc2F)C[C@@H]1C ZINC001301910448 1066934903 /nfs/dbraw/zinc/93/49/03/1066934903.db2.gz CHTWTUXQZYNQBS-PMACEKPBSA-N 1 1 477.650 3.402 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OCC3CC3)c2)C[C@H]1C ZINC001301910760 1066935867 /nfs/dbraw/zinc/93/58/67/1066935867.db2.gz WQWRBNYQCGWEPL-LJQANCHMSA-N 1 1 456.635 3.256 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2csc([C@@H](C)OC)n2)C[C@@H]1C ZINC001301910943 1066936260 /nfs/dbraw/zinc/93/62/60/1066936260.db2.gz KYMOBFGFJCTQMF-DLBZAZTESA-N 1 1 450.653 3.236 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2csc([C@H](C)OC)n2)C[C@H]1C ZINC001301911257 1066936315 /nfs/dbraw/zinc/93/63/15/1066936315.db2.gz KYMOBFGFJCTQMF-SJORKVTESA-N 1 1 450.653 3.236 20 0 JGADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302337903 1066936664 /nfs/dbraw/zinc/93/66/64/1066936664.db2.gz BKSIFNROACMKFO-SFHVURJKSA-N 1 1 462.639 3.007 20 0 JGADMO CC(=O)NCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001301911437 1066936762 /nfs/dbraw/zinc/93/67/62/1066936762.db2.gz JWMDHPWSGUSHHZ-UHFFFAOYSA-N 1 1 495.653 3.057 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nccs2)C[C@H]1C ZINC001301911851 1066936866 /nfs/dbraw/zinc/93/68/66/1066936866.db2.gz MZUDQQUFSWJOIQ-MRXNPFEDSA-N 1 1 462.570 3.003 20 0 JGADMO CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301912291 1066938232 /nfs/dbraw/zinc/93/82/32/1066938232.db2.gz CWWSJZABPNERPC-MOPGFXCFSA-N 1 1 472.609 3.394 20 0 JGADMO CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301912295 1066938316 /nfs/dbraw/zinc/93/83/16/1066938316.db2.gz CWWSJZABPNERPC-OALUTQOASA-N 1 1 472.609 3.394 20 0 JGADMO CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)C(F)(F)F ZINC001302340782 1066939222 /nfs/dbraw/zinc/93/92/22/1066939222.db2.gz IOJRAHPBQHNPRF-LJQANCHMSA-N 1 1 499.603 3.481 20 0 JGADMO CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)C(F)(F)F ZINC001302340782 1066939231 /nfs/dbraw/zinc/93/92/31/1066939231.db2.gz IOJRAHPBQHNPRF-LJQANCHMSA-N 1 1 499.603 3.481 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001301912585 1066939568 /nfs/dbraw/zinc/93/95/68/1066939568.db2.gz KTXNMJGUUZTWKY-WWNPGLIZSA-N 1 1 462.683 3.187 20 0 JGADMO CC(C)(Cn1c(Cc2ccncc2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001302341334 1066939616 /nfs/dbraw/zinc/93/96/16/1066939616.db2.gz GJDMVGRKSRZXST-UHFFFAOYSA-N 1 1 451.402 3.274 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2cccnc2OC2CCCC2)C[C@@H]1C ZINC001301913654 1066942637 /nfs/dbraw/zinc/94/26/37/1066942637.db2.gz WPPMQGMPOJDVAM-FQEVSTJZSA-N 1 1 456.635 3.398 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2ccccc2Cl)C[C@@H]1C ZINC001301914112 1066943056 /nfs/dbraw/zinc/94/30/56/1066943056.db2.gz YTFFUBQMMOFBKF-MBSDFSHPSA-N 1 1 450.027 3.195 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001301913943 1066943403 /nfs/dbraw/zinc/94/34/03/1066943403.db2.gz NSSGMOBLIZUPSR-BJESRGMDSA-N 1 1 476.710 3.433 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001301913943 1066943414 /nfs/dbraw/zinc/94/34/14/1066943414.db2.gz NSSGMOBLIZUPSR-BJESRGMDSA-N 1 1 476.710 3.433 20 0 JGADMO CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301914646 1066943897 /nfs/dbraw/zinc/94/38/97/1066943897.db2.gz QUBZEZWIOSZGLE-UWVAXJGDSA-N 1 1 461.010 3.271 20 0 JGADMO CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[N@@H+](C)C1CCCCC1 ZINC001302347901 1066943978 /nfs/dbraw/zinc/94/39/78/1066943978.db2.gz MYAIZBJBRKFSGU-IBGZPJMESA-N 1 1 466.627 3.239 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2ccccc2Cl)C[C@@H]1C ZINC001301916146 1066946381 /nfs/dbraw/zinc/94/63/81/1066946381.db2.gz VVCOKKBYXGGBIP-NSXLHWASSA-N 1 1 478.037 3.238 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(Cl)s2)C[C@H]1C ZINC001301918258 1066947798 /nfs/dbraw/zinc/94/77/98/1066947798.db2.gz FZWUDPWSXYPJCQ-QGZVFWFLSA-N 1 1 461.035 3.378 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301918297 1066948116 /nfs/dbraw/zinc/94/81/16/1066948116.db2.gz HBDBXWKMPYGEJY-RCZVLFRGSA-N 1 1 477.657 3.032 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2cccc(C)c2)C[C@@H]1C ZINC001301918346 1066948482 /nfs/dbraw/zinc/94/84/82/1066948482.db2.gz IJUBIOUGOXRTSL-VXKWHMMOSA-N 1 1 464.614 3.197 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccccc2F)C[C@@H]1C ZINC001301918303 1066948576 /nfs/dbraw/zinc/94/85/76/1066948576.db2.gz HDBWTSNQZURYEB-VQTJNVASSA-N 1 1 468.577 3.027 20 0 JGADMO COCCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301918356 1066948627 /nfs/dbraw/zinc/94/86/27/1066948627.db2.gz IQYFGSZJUGNFKU-BGYRXZFFSA-N 1 1 489.734 3.159 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001301918740 1066949779 /nfs/dbraw/zinc/94/97/79/1066949779.db2.gz LGXPVOSPCBSORZ-NRFANRHFSA-N 1 1 478.641 3.407 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001301918883 1066950269 /nfs/dbraw/zinc/95/02/69/1066950269.db2.gz DVAXXDJBOCXCNU-RUZDIDTESA-N 1 1 459.610 3.108 20 0 JGADMO CC(C)(O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001302359554 1066950500 /nfs/dbraw/zinc/95/05/00/1066950500.db2.gz HFVLXWPCRGOJLL-GOSISDBHSA-N 1 1 478.435 3.455 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001301919316 1066951475 /nfs/dbraw/zinc/95/14/75/1066951475.db2.gz QFQPURHXUFUIAG-RTBURBONSA-N 1 1 452.525 3.326 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC001301919347 1066951528 /nfs/dbraw/zinc/95/15/28/1066951528.db2.gz RKPOIUNLXWBNAU-AUSIDOKSSA-N 1 1 485.032 3.462 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC001301919600 1066951731 /nfs/dbraw/zinc/95/17/31/1066951731.db2.gz IVBMMYWWHMDWKK-GOSISDBHSA-N 1 1 490.530 3.368 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920003 1066953043 /nfs/dbraw/zinc/95/30/43/1066953043.db2.gz LTVJSUMOAHQHAT-NZQKXSOJSA-N 1 1 472.653 3.285 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920003 1066953049 /nfs/dbraw/zinc/95/30/49/1066953049.db2.gz LTVJSUMOAHQHAT-NZQKXSOJSA-N 1 1 472.653 3.285 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001301921168 1066954658 /nfs/dbraw/zinc/95/46/58/1066954658.db2.gz RAFZQGGLNIEKJG-NRFANRHFSA-N 1 1 486.661 3.249 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OC(F)F)C[C@H]1C ZINC001301921152 1066954683 /nfs/dbraw/zinc/95/46/83/1066954683.db2.gz QWVSNAQHUKDDAM-GOSISDBHSA-N 1 1 472.540 3.071 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302364469 1066955025 /nfs/dbraw/zinc/95/50/25/1066955025.db2.gz TVODDSKCLLFVJF-NVXWUHKLSA-N 1 1 451.413 3.381 20 0 JGADMO CO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001302364689 1066955047 /nfs/dbraw/zinc/95/50/47/1066955047.db2.gz AEBAXAWCBDQEFI-UCNVEGJOSA-N 1 1 454.619 3.493 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001301921943 1066955741 /nfs/dbraw/zinc/95/57/41/1066955741.db2.gz WNBXHYKAOQKSEY-SFHVURJKSA-N 1 1 493.052 3.204 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCCn2cc(Br)cn2)C[C@H]1C ZINC001301921745 1066956071 /nfs/dbraw/zinc/95/60/71/1066956071.db2.gz JCBIBMYPABXGCC-GOSISDBHSA-N 1 1 494.482 3.217 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 ZINC001301923626 1066957554 /nfs/dbraw/zinc/95/75/54/1066957554.db2.gz QVAMHRQAWRBLAN-OAQYLSRUSA-N 1 1 459.591 3.226 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)c2ccccc2)C[C@H]1C ZINC001301927086 1066960750 /nfs/dbraw/zinc/96/07/50/1066960750.db2.gz VBOWYISPBNVUKR-HXUWFJFHSA-N 1 1 473.572 3.089 20 0 JGADMO COCCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926998 1066960956 /nfs/dbraw/zinc/96/09/56/1066960956.db2.gz RSHFHUFUBQVVCC-LADGPHEKSA-N 1 1 484.689 3.177 20 0 JGADMO COCCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926998 1066960964 /nfs/dbraw/zinc/96/09/64/1066960964.db2.gz RSHFHUFUBQVVCC-LADGPHEKSA-N 1 1 484.689 3.177 20 0 JGADMO CO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001302375654 1066961091 /nfs/dbraw/zinc/96/10/91/1066961091.db2.gz IAENMXUXTLCSAG-PZJWPPBQSA-N 1 1 476.666 3.350 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncccc2C)C[C@@H]1C ZINC001301927261 1066961352 /nfs/dbraw/zinc/96/13/52/1066961352.db2.gz ALSDFLFYSPTOTN-IBGZPJMESA-N 1 1 471.005 3.419 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCCCCC2)CC1 ZINC001301927512 1066962440 /nfs/dbraw/zinc/96/24/40/1066962440.db2.gz ICUYHNBROXEUFG-UHFFFAOYSA-N 1 1 457.619 3.019 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ncccc2N(C)C)C[C@@H]1C ZINC001301927733 1066964086 /nfs/dbraw/zinc/96/40/86/1066964086.db2.gz MSGAIEMMNHJBQA-QFIPXVFZSA-N 1 1 493.656 3.140 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cc(C)no2)C[C@@H]1C ZINC001301931096 1066968428 /nfs/dbraw/zinc/96/84/28/1066968428.db2.gz AVTLEDUIUZFGKI-IBGZPJMESA-N 1 1 456.616 3.380 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2nccs2)C[C@H]1C ZINC001301931550 1066969203 /nfs/dbraw/zinc/96/92/03/1066969203.db2.gz DFJCUBKXRQOLPC-ZWKOTPCHSA-N 1 1 474.606 3.413 20 0 JGADMO CC(C)=CCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001302388742 1066969258 /nfs/dbraw/zinc/96/92/58/1066969258.db2.gz GUNGGKZXBHFESQ-HSZRJFAPSA-N 1 1 466.630 3.265 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(C)CCCS2)CC1 ZINC001301931625 1066969635 /nfs/dbraw/zinc/96/96/35/1066969635.db2.gz HMYKZYVFSOTNRX-DNVFCKCGSA-N 1 1 451.681 3.251 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301932550 1066971299 /nfs/dbraw/zinc/97/12/99/1066971299.db2.gz YOHPCDHQOCBMCQ-IVAOSVALSA-N 1 1 462.683 3.064 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(F)(F)Br)C[C@H]1C ZINC001301933495 1066972816 /nfs/dbraw/zinc/97/28/16/1066972816.db2.gz OBITZKCESHPSIF-BZUAXINKSA-N 1 1 494.425 3.341 20 0 JGADMO CC(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301935228 1066975854 /nfs/dbraw/zinc/97/58/54/1066975854.db2.gz HGWCASKLWNOTMC-UHFFFAOYSA-N 1 1 468.646 3.455 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C(C)C)CC1 ZINC001302397507 1066976780 /nfs/dbraw/zinc/97/67/80/1066976780.db2.gz AORZRAPSGGRNJG-NHCUHLMSSA-N 1 1 462.683 3.232 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001302398682 1066978453 /nfs/dbraw/zinc/97/84/53/1066978453.db2.gz SKZABTJJSFQPNZ-FYYLOGMGSA-N 1 1 468.646 3.345 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001301940859 1066987778 /nfs/dbraw/zinc/98/77/78/1066987778.db2.gz KYQHOLNKAPJNTJ-FCHUYYIVSA-N 1 1 488.702 3.415 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@@H]1OC ZINC001302406926 1066988739 /nfs/dbraw/zinc/98/87/39/1066988739.db2.gz IQTSCSMULRUBJJ-YSGRDPCXSA-N 1 1 460.966 3.127 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@@H]1OC ZINC001302406925 1066988773 /nfs/dbraw/zinc/98/87/73/1066988773.db2.gz IQTSCSMULRUBJJ-RYGJVYDSSA-N 1 1 460.966 3.127 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1OC ZINC001302419213 1067004025 /nfs/dbraw/zinc/00/40/25/1067004025.db2.gz MQNDXEAOKZKCHW-QIJUGHKUSA-N 1 1 475.609 3.357 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302419466 1067004305 /nfs/dbraw/zinc/00/43/05/1067004305.db2.gz VWFNFZJWEBSPPT-FGZHOGPDSA-N 1 1 467.662 3.125 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1OC ZINC001302419630 1067004548 /nfs/dbraw/zinc/00/45/48/1067004548.db2.gz MMLYHPRHZUEXAN-OYRHEFFESA-N 1 1 459.591 3.052 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302422414 1067009403 /nfs/dbraw/zinc/00/94/03/1067009403.db2.gz LJBSOKFMAQPTID-UHFFFAOYSA-N 1 1 472.584 3.150 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1OC ZINC001302426070 1067011269 /nfs/dbraw/zinc/01/12/69/1067011269.db2.gz UBLXAFAYTNQFGR-BGJURXJTSA-N 1 1 463.667 3.167 20 0 JGADMO CC1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001303958823 1067013309 /nfs/dbraw/zinc/01/33/09/1067013309.db2.gz XYUYXHMXQAVGSU-OAQYLSRUSA-N 1 1 489.686 3.212 20 0 JGADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001303958754 1067013336 /nfs/dbraw/zinc/01/33/36/1067013336.db2.gz HLLUEQMDIRVDRX-PMACEKPBSA-N 1 1 460.667 3.035 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001303959729 1067014386 /nfs/dbraw/zinc/01/43/86/1067014386.db2.gz NESLFIWPJZMFNG-KRWDZBQOSA-N 1 1 467.540 3.405 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(Cc3ccccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001303959918 1067014795 /nfs/dbraw/zinc/01/47/95/1067014795.db2.gz PWDHVWFMFHXRFA-UHFFFAOYSA-N 1 1 466.552 3.280 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001303960991 1067015564 /nfs/dbraw/zinc/01/55/64/1067015564.db2.gz XEBJJSHKHQXGMJ-SFHVURJKSA-N 1 1 458.573 3.326 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303962274 1067016207 /nfs/dbraw/zinc/01/62/07/1067016207.db2.gz GGIOPOYMSBYWME-KRWDZBQOSA-N 1 1 456.557 3.301 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N2CCC(Cl)=C(Cl)C2)C1 ZINC001303962886 1067016545 /nfs/dbraw/zinc/01/65/45/1067016545.db2.gz NPYVUIKXMZHHDW-UHFFFAOYSA-N 1 1 455.434 3.422 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001302432142 1067021275 /nfs/dbraw/zinc/02/12/75/1067021275.db2.gz ZBHFMRVWNLFSKD-HSZRJFAPSA-N 1 1 468.646 3.393 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001303979309 1067027279 /nfs/dbraw/zinc/02/72/79/1067027279.db2.gz FWXLBCQYSGIINM-VWLOTQADSA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001303979309 1067027291 /nfs/dbraw/zinc/02/72/91/1067027291.db2.gz FWXLBCQYSGIINM-VWLOTQADSA-N 1 1 456.635 3.016 20 0 JGADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCCCO)C1 ZINC001303996799 1067038369 /nfs/dbraw/zinc/03/83/69/1067038369.db2.gz IPPIFUAUGZQXEX-JOCHJYFZSA-N 1 1 478.435 3.171 20 0 JGADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc([C@@H]3CCCCO3)n2CCSCC(F)(F)F)C1 ZINC001303997755 1067039883 /nfs/dbraw/zinc/03/98/83/1067039883.db2.gz MMXHOQFEASKHSE-QFBILLFUSA-N 1 1 463.570 3.116 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1 ZINC001304003808 1067046414 /nfs/dbraw/zinc/04/64/14/1067046414.db2.gz MDXWOWJIBWGOQM-QGZVFWFLSA-N 1 1 497.463 3.045 20 0 JGADMO CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001304004115 1067046678 /nfs/dbraw/zinc/04/66/78/1067046678.db2.gz OWZZHMLZDSJUBZ-LJQANCHMSA-N 1 1 481.483 3.425 20 0 JGADMO CS(=O)(=O)CCCCCn1c(C2CCC2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001302448305 1067046995 /nfs/dbraw/zinc/04/69/95/1067046995.db2.gz NEACHVDRENYHHL-UHFFFAOYSA-N 1 1 451.662 3.144 20 0 JGADMO Cc1occc1C(=O)NC1CCN(c2nnc(C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001304005576 1067048224 /nfs/dbraw/zinc/04/82/24/1067048224.db2.gz GDPWJFMKNIDLBN-SFHVURJKSA-N 1 1 450.587 3.407 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302451947 1067053426 /nfs/dbraw/zinc/05/34/26/1067053426.db2.gz NSXIQXYLHAABDY-HSZRJFAPSA-N 1 1 491.061 3.088 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001304011389 1067054002 /nfs/dbraw/zinc/05/40/02/1067054002.db2.gz UPRDNHPWWSGBCK-UHFFFAOYSA-N 1 1 459.558 3.022 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302452632 1067054488 /nfs/dbraw/zinc/05/44/88/1067054488.db2.gz XATINVXHSVMPRZ-GOSISDBHSA-N 1 1 492.466 3.261 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001304012126 1067055459 /nfs/dbraw/zinc/05/54/59/1067055459.db2.gz BKTNQZBMYSDRIZ-IEBWSBKVSA-N 1 1 474.631 3.109 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)c1C ZINC001304012525 1067055995 /nfs/dbraw/zinc/05/59/95/1067055995.db2.gz FSBULRYTSUWVRT-UHFFFAOYSA-N 1 1 491.640 3.066 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)c1C ZINC001304012525 1067056012 /nfs/dbraw/zinc/05/60/12/1067056012.db2.gz FSBULRYTSUWVRT-UHFFFAOYSA-N 1 1 491.640 3.066 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCC2)c1C ZINC001304016775 1067060222 /nfs/dbraw/zinc/06/02/22/1067060222.db2.gz AVTBHYMMAMWCOU-RZUBCFFCSA-N 1 1 471.646 3.495 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCC2)c1C ZINC001304016775 1067060236 /nfs/dbraw/zinc/06/02/36/1067060236.db2.gz AVTBHYMMAMWCOU-RZUBCFFCSA-N 1 1 471.646 3.495 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001304017592 1067061102 /nfs/dbraw/zinc/06/11/02/1067061102.db2.gz AQWUWBKLVZTQCH-VWPQPMDRSA-N 1 1 457.619 3.371 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302459612 1067062195 /nfs/dbraw/zinc/06/21/95/1067062195.db2.gz OCIRVWLCGVSLLB-UHFFFAOYSA-N 1 1 458.626 3.338 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@]2(C)CN(C)C2=O)c1C ZINC001304018444 1067062608 /nfs/dbraw/zinc/06/26/08/1067062608.db2.gz KBUOUWUNJCPKNZ-IDISGSTGSA-N 1 1 498.672 3.060 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@]2(C)CN(C)C2=O)c1C ZINC001304018444 1067062624 /nfs/dbraw/zinc/06/26/24/1067062624.db2.gz KBUOUWUNJCPKNZ-IDISGSTGSA-N 1 1 498.672 3.060 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302462060 1067065618 /nfs/dbraw/zinc/06/56/18/1067065618.db2.gz YYKSSDUYXFXZGQ-FGZHOGPDSA-N 1 1 454.619 3.003 20 0 JGADMO CC(C)C(=O)NCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001302462650 1067066875 /nfs/dbraw/zinc/06/68/75/1067066875.db2.gz MSJSSTSRXBFBLP-KRWDZBQOSA-N 1 1 493.425 3.293 20 0 JGADMO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001302467359 1067071013 /nfs/dbraw/zinc/07/10/13/1067071013.db2.gz ACELGKXIVUQKFC-XLIONFOSSA-N 1 1 452.382 3.499 20 0 JGADMO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001302467358 1067071130 /nfs/dbraw/zinc/07/11/30/1067071130.db2.gz ACELGKXIVUQKFC-PXNSSMCTSA-N 1 1 452.382 3.499 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@H+](C)C(C)C)c1C ZINC001304025654 1067071672 /nfs/dbraw/zinc/07/16/72/1067071672.db2.gz XPGKAHLMKAPGBO-FQEVSTJZSA-N 1 1 477.675 3.389 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(N4CCNC4=O)CC3)n2CC[N@H+](C)C(C)C)c1C ZINC001304025898 1067072188 /nfs/dbraw/zinc/07/21/88/1067072188.db2.gz ZSJLWGHJWHFTTN-NRFANRHFSA-N 1 1 483.661 3.369 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001304026011 1067072474 /nfs/dbraw/zinc/07/24/74/1067072474.db2.gz KTMQNFOGPKZXOH-IRLDBZIGSA-N 1 1 457.619 3.372 20 0 JGADMO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001302471378 1067075845 /nfs/dbraw/zinc/07/58/45/1067075845.db2.gz QXNTWBBOXHEMDI-JTHBVZDNSA-N 1 1 467.662 3.127 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001304030909 1067078807 /nfs/dbraw/zinc/07/88/07/1067078807.db2.gz RCFRZMMTGBQVCK-FGZHOGPDSA-N 1 1 468.646 3.339 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCNC(=O)C(C)C)c1C ZINC001304031695 1067080451 /nfs/dbraw/zinc/08/04/51/1067080451.db2.gz WXBFAMRELIKGCD-GOTSBHOMSA-N 1 1 498.672 3.108 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001304031933 1067080623 /nfs/dbraw/zinc/08/06/23/1067080623.db2.gz YKBVJYAODRQVGC-VXKWHMMOSA-N 1 1 483.661 3.321 20 0 JGADMO Cc1nc([C@@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001304046608 1067089811 /nfs/dbraw/zinc/08/98/11/1067089811.db2.gz ZZGFAUUHRMGALJ-LJQANCHMSA-N 1 1 459.664 3.312 20 0 JGADMO Cc1nc(CCn2c(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)sc1C ZINC001304048759 1067091169 /nfs/dbraw/zinc/09/11/69/1067091169.db2.gz BGPAHELAHXWCCA-NRFANRHFSA-N 1 1 489.734 3.123 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001304057545 1067098485 /nfs/dbraw/zinc/09/84/85/1067098485.db2.gz UQGABOMGDWVYMO-QGZVFWFLSA-N 1 1 491.706 3.281 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001304057513 1067098664 /nfs/dbraw/zinc/09/86/64/1067098664.db2.gz TWMAEFZAJUAZHO-UHFFFAOYSA-N 1 1 491.706 3.140 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001304057513 1067098674 /nfs/dbraw/zinc/09/86/74/1067098674.db2.gz TWMAEFZAJUAZHO-UHFFFAOYSA-N 1 1 491.706 3.140 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCS[C@H](C(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001304060106 1067103609 /nfs/dbraw/zinc/10/36/09/1067103609.db2.gz WXDDAASKVFFEDT-IBGZPJMESA-N 1 1 493.747 3.465 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCCO[C@H](C)C2)cnn1C ZINC001304082721 1067129651 /nfs/dbraw/zinc/12/96/51/1067129651.db2.gz PPLQUHDWOPIGSY-QGZVFWFLSA-N 1 1 473.025 3.173 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CCN2CC[N@@H+](C)C(C)(C)C2)cnn1C ZINC001304083451 1067130198 /nfs/dbraw/zinc/13/01/98/1067130198.db2.gz KEPRBEWWXXHQAT-UHFFFAOYSA-N 1 1 471.053 3.303 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cnn1C ZINC001304083451 1067130203 /nfs/dbraw/zinc/13/02/03/1067130203.db2.gz KEPRBEWWXXHQAT-UHFFFAOYSA-N 1 1 471.053 3.303 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCN(C)C(C)(C)C2)cnn1C ZINC001304083451 1067130208 /nfs/dbraw/zinc/13/02/08/1067130208.db2.gz KEPRBEWWXXHQAT-UHFFFAOYSA-N 1 1 471.053 3.303 20 0 JGADMO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302514598 1067131415 /nfs/dbraw/zinc/13/14/15/1067131415.db2.gz DDPSHLDXLIKQJE-PMACEKPBSA-N 1 1 462.639 3.006 20 0 JGADMO Cc1c(CN(C)c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)cnn1C ZINC001304092151 1067135714 /nfs/dbraw/zinc/13/57/14/1067135714.db2.gz RHUJCLYEHKCBGR-LJQANCHMSA-N 1 1 469.609 3.187 20 0 JGADMO Cc1c(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC001304093807 1067137536 /nfs/dbraw/zinc/13/75/36/1067137536.db2.gz UDTVRTPNUJYMHJ-HXUWFJFHSA-N 1 1 487.599 3.182 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001302518746 1067137905 /nfs/dbraw/zinc/13/79/05/1067137905.db2.gz IABPYOYNSUTUMT-JOCHJYFZSA-N 1 1 455.651 3.008 20 0 JGADMO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001302518746 1067137912 /nfs/dbraw/zinc/13/79/12/1067137912.db2.gz IABPYOYNSUTUMT-JOCHJYFZSA-N 1 1 455.651 3.008 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC1COC(C)(C)OC1)[NH+]1CCOCC1 ZINC001302524541 1067146480 /nfs/dbraw/zinc/14/64/80/1067146480.db2.gz GAQUMQBAWMZIHZ-HSZRJFAPSA-N 1 1 489.636 3.200 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302525197 1067147384 /nfs/dbraw/zinc/14/73/84/1067147384.db2.gz LPISIWFSPIJPQP-SFTDATJTSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302525968 1067150037 /nfs/dbraw/zinc/15/00/37/1067150037.db2.gz UANGTSQBUULRJG-HBMCJLEFSA-N 1 1 476.666 3.396 20 0 JGADMO Cc1c(Cn2c(-c3cccn3C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cnn1CC(C)C ZINC001304109895 1067151633 /nfs/dbraw/zinc/15/16/33/1067151633.db2.gz MTPNLOVINOMRPU-UHFFFAOYSA-N 1 1 482.677 3.287 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCOCC1 ZINC001302527212 1067153055 /nfs/dbraw/zinc/15/30/55/1067153055.db2.gz APEWUUVNGGTGCP-QHCPKHFHSA-N 1 1 468.646 3.103 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302527119 1067153090 /nfs/dbraw/zinc/15/30/90/1067153090.db2.gz XOZMJOPXSKQWEK-LEWJYISDSA-N 1 1 476.710 3.355 20 0 JGADMO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C)CC1)[NH+]1CCOCC1 ZINC001302527216 1067153511 /nfs/dbraw/zinc/15/35/11/1067153511.db2.gz ARLOBLYVMIAFDA-LJQANCHMSA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302527924 1067155536 /nfs/dbraw/zinc/15/55/36/1067155536.db2.gz FWRSUNJFQCHWEZ-SFTDATJTSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302527924 1067155543 /nfs/dbraw/zinc/15/55/43/1067155543.db2.gz FWRSUNJFQCHWEZ-SFTDATJTSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302527920 1067155586 /nfs/dbraw/zinc/15/55/86/1067155586.db2.gz FWRSUNJFQCHWEZ-NHCUHLMSSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302527920 1067155593 /nfs/dbraw/zinc/15/55/93/1067155593.db2.gz FWRSUNJFQCHWEZ-NHCUHLMSSA-N 1 1 476.666 3.081 20 0 JGADMO Cc1c(Cn2c(CC(C)(C)C)nnc2N2CC[C@](C)([NH+]3CCOCC3)C2)cnn1CC(C)C ZINC001304117337 1067157659 /nfs/dbraw/zinc/15/76/59/1067157659.db2.gz PLMNIURJZJPWFE-VWLOTQADSA-N 1 1 457.667 3.377 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302531641 1067160645 /nfs/dbraw/zinc/16/06/45/1067160645.db2.gz MYKAABCCIMWONF-IPMKNSEASA-N 1 1 475.556 3.034 20 0 JGADMO CC(C)c1ccnc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001302536555 1067168046 /nfs/dbraw/zinc/16/80/46/1067168046.db2.gz OWGDDBNNUOGPID-JOCHJYFZSA-N 1 1 484.693 3.172 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304133380 1067171462 /nfs/dbraw/zinc/17/14/62/1067171462.db2.gz KGBJFCVZXLDIEJ-UHFFFAOYSA-N 1 1 477.613 3.143 20 0 JGADMO Cc1c(Cl)cccc1Cn1c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C ZINC001304133738 1067172006 /nfs/dbraw/zinc/17/20/06/1067172006.db2.gz YADTXSHGZHVNPP-HXUWFJFHSA-N 1 1 459.038 3.329 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCNC(=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001304139089 1067179346 /nfs/dbraw/zinc/17/93/46/1067179346.db2.gz LFHHXYHCQPLNNX-LJQANCHMSA-N 1 1 473.021 3.277 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304140960 1067182952 /nfs/dbraw/zinc/18/29/52/1067182952.db2.gz VHPHADULWLAJFW-CPJSRVTESA-N 1 1 491.080 3.285 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304140960 1067182959 /nfs/dbraw/zinc/18/29/59/1067182959.db2.gz VHPHADULWLAJFW-CPJSRVTESA-N 1 1 491.080 3.285 20 0 JGADMO CS[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302549470 1067186502 /nfs/dbraw/zinc/18/65/02/1067186502.db2.gz YSFVIPXZHYUJJH-STQMWFEESA-N 1 1 458.451 3.041 20 0 JGADMO CS[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302549470 1067186505 /nfs/dbraw/zinc/18/65/05/1067186505.db2.gz YSFVIPXZHYUJJH-STQMWFEESA-N 1 1 458.451 3.041 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOCC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001304144632 1067187010 /nfs/dbraw/zinc/18/70/10/1067187010.db2.gz RTHKQBVNACKNFN-PXNSSMCTSA-N 1 1 478.037 3.493 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOCC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001304144633 1067187088 /nfs/dbraw/zinc/18/70/88/1067187088.db2.gz RTHKQBVNACKNFN-XLIONFOSSA-N 1 1 478.037 3.493 20 0 JGADMO CC(C)c1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cs1 ZINC001302555357 1067194035 /nfs/dbraw/zinc/19/40/35/1067194035.db2.gz WWTXGDDIJMCUDL-GOSISDBHSA-N 1 1 494.731 3.313 20 0 JGADMO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302560866 1067201033 /nfs/dbraw/zinc/20/10/33/1067201033.db2.gz CRCXYBMDTTUIEH-GOSISDBHSA-N 1 1 463.648 3.113 20 0 JGADMO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001302560866 1067201037 /nfs/dbraw/zinc/20/10/37/1067201037.db2.gz CRCXYBMDTTUIEH-GOSISDBHSA-N 1 1 463.648 3.113 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302566457 1067205957 /nfs/dbraw/zinc/20/59/57/1067205957.db2.gz ASSJUIRXDGHXOM-PXNSSMCTSA-N 1 1 454.388 3.378 20 0 JGADMO CS[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001302568712 1067208130 /nfs/dbraw/zinc/20/81/30/1067208130.db2.gz YEVHJLMAXQXVNQ-IBGZPJMESA-N 1 1 457.623 3.353 20 0 JGADMO CS[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001302570846 1067210208 /nfs/dbraw/zinc/21/02/08/1067210208.db2.gz STKQAJQUFSSPPE-MFKWGIFDSA-N 1 1 451.681 3.105 20 0 JGADMO Cc1cc(C)c(Cn2c(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001304163456 1067210409 /nfs/dbraw/zinc/21/04/09/1067210409.db2.gz YVRSKBQWYJAIGO-QFIPXVFZSA-N 1 1 452.647 3.292 20 0 JGADMO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302570946 1067210778 /nfs/dbraw/zinc/21/07/78/1067210778.db2.gz DHDIAYUZDNCBFG-FGZHOGPDSA-N 1 1 490.718 3.330 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001304164343 1067211388 /nfs/dbraw/zinc/21/13/88/1067211388.db2.gz PCNMFOOARAGUJQ-UHFFFAOYSA-N 1 1 472.597 3.469 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302573413 1067212696 /nfs/dbraw/zinc/21/26/96/1067212696.db2.gz VFOSMPVGCQTNCL-BAGYTPMASA-N 1 1 459.660 3.326 20 0 JGADMO C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](Cc3cc(F)c(F)cc3F)NC(=O)OC(C)(C)C)CC[C@H]21 ZINC001302574626 1067213368 /nfs/dbraw/zinc/21/33/68/1067213368.db2.gz NNHPGGUKNFGZPK-AKCHCHLHSA-N 1 1 455.521 3.482 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@@H]2CCOC2)c1 ZINC001304168413 1067215162 /nfs/dbraw/zinc/21/51/62/1067215162.db2.gz GRJGHZPIDORKFA-XPWALMASSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@@H]2CCOC2)c1 ZINC001304168413 1067215169 /nfs/dbraw/zinc/21/51/69/1067215169.db2.gz GRJGHZPIDORKFA-XPWALMASSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304168352 1067215266 /nfs/dbraw/zinc/21/52/66/1067215266.db2.gz FSZRSBJAGPBGGN-VWNXMTODSA-N 1 1 471.646 3.303 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccon3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001304169846 1067217634 /nfs/dbraw/zinc/21/76/34/1067217634.db2.gz XDXIEUUEHVATBF-UHFFFAOYSA-N 1 1 467.618 3.124 20 0 JGADMO CS[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1)C(C)(C)C ZINC001302579568 1067217661 /nfs/dbraw/zinc/21/76/61/1067217661.db2.gz JXPUBESVMGFNAQ-LJQANCHMSA-N 1 1 489.690 3.250 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC(=O)NC(C)(C)C)c1 ZINC001304172424 1067220549 /nfs/dbraw/zinc/22/05/49/1067220549.db2.gz YHCJQHHTJDZQKV-SFTDATJTSA-N 1 1 468.646 3.452 20 0 JGADMO CS[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(C)(C)C ZINC001302587830 1067224753 /nfs/dbraw/zinc/22/47/53/1067224753.db2.gz GFZHVOPSKLYRHV-GBXCKJPGSA-N 1 1 458.676 3.343 20 0 JGADMO CC(C)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302588006 1067225445 /nfs/dbraw/zinc/22/54/45/1067225445.db2.gz PFICYGRPMZBOMM-QGZVFWFLSA-N 1 1 458.561 3.341 20 0 JGADMO CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001302589831 1067226645 /nfs/dbraw/zinc/22/66/45/1067226645.db2.gz BWQFNSADZNGKOR-FVTFTPSCSA-N 1 1 492.734 3.286 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304177979 1067226899 /nfs/dbraw/zinc/22/68/99/1067226899.db2.gz BWBORDUEEFQKHN-BWAGFHJFSA-N 1 1 468.646 3.296 20 0 JGADMO CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001302590045 1067227169 /nfs/dbraw/zinc/22/71/69/1067227169.db2.gz BWQFNSADZNGKOR-ZHHKINOHSA-N 1 1 492.734 3.286 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304178405 1067227652 /nfs/dbraw/zinc/22/76/52/1067227652.db2.gz IMDZHXLZNWOGIY-GMAHTHKFSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304178299 1067227723 /nfs/dbraw/zinc/22/77/23/1067227723.db2.gz XOIOGZAWPIGVIX-UHFFFAOYSA-N 1 1 450.587 3.477 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 ZINC001304178834 1067228342 /nfs/dbraw/zinc/22/83/42/1067228342.db2.gz NXDYJPCHRKUZDC-NRFANRHFSA-N 1 1 489.686 3.219 20 0 JGADMO CC(C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001302594668 1067232767 /nfs/dbraw/zinc/23/27/67/1067232767.db2.gz DXGHATLJBOXWAX-XMMPIXPASA-N 1 1 454.663 3.472 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001304183485 1067234465 /nfs/dbraw/zinc/23/44/65/1067234465.db2.gz VRURFKOIPAVBHJ-FQEVSTJZSA-N 1 1 497.562 3.352 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001304183485 1067234468 /nfs/dbraw/zinc/23/44/68/1067234468.db2.gz VRURFKOIPAVBHJ-FQEVSTJZSA-N 1 1 497.562 3.352 20 0 JGADMO Cc1cc(C)nc(N2CCN(c3nnc(CC(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC001304191016 1067240888 /nfs/dbraw/zinc/24/08/88/1067240888.db2.gz LHHBSKXETJBGOE-OAQYLSRUSA-N 1 1 454.667 3.330 20 0 JGADMO Cc1cc(C)nc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC001304191015 1067240902 /nfs/dbraw/zinc/24/09/02/1067240902.db2.gz LHHBSKXETJBGOE-NRFANRHFSA-N 1 1 454.667 3.330 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302606425 1067240839 /nfs/dbraw/zinc/24/08/39/1067240839.db2.gz CPKZSSVNOMNNIY-GGAORHGYSA-N 1 1 468.646 3.128 20 0 JGADMO Cc1cc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC001304191238 1067241386 /nfs/dbraw/zinc/24/13/86/1067241386.db2.gz YHCZNXBEADEGLC-LJQANCHMSA-N 1 1 472.659 3.401 20 0 JGADMO CC(C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302607012 1067241394 /nfs/dbraw/zinc/24/13/94/1067241394.db2.gz NRXVYSSVPGVNGI-CRAIPNDOSA-N 1 1 453.509 3.347 20 0 JGADMO CC(C)c1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302614384 1067247787 /nfs/dbraw/zinc/24/77/87/1067247787.db2.gz JZYQBMKKUPKSNJ-UHFFFAOYSA-N 1 1 467.662 3.283 20 0 JGADMO CC(C)c1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302614384 1067247793 /nfs/dbraw/zinc/24/77/93/1067247793.db2.gz JZYQBMKKUPKSNJ-UHFFFAOYSA-N 1 1 467.662 3.283 20 0 JGADMO CC(C)c1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302614384 1067247801 /nfs/dbraw/zinc/24/78/01/1067247801.db2.gz JZYQBMKKUPKSNJ-UHFFFAOYSA-N 1 1 467.662 3.283 20 0 JGADMO Cc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)no1 ZINC001304205118 1067251369 /nfs/dbraw/zinc/25/13/69/1067251369.db2.gz LJALFCNXJQYQSE-MOPGFXCFSA-N 1 1 457.966 3.118 20 0 JGADMO C[N@H+]1C[C@@H]2CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC001304214287 1067257434 /nfs/dbraw/zinc/25/74/34/1067257434.db2.gz PAAIZDJSILQOPF-CEQIKUNHSA-N 1 1 452.393 3.425 20 0 JGADMO CC(C)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302629528 1067259645 /nfs/dbraw/zinc/25/96/45/1067259645.db2.gz PKJQNCGZJODNPO-CTNGQTDRSA-N 1 1 451.681 3.317 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302633725 1067262548 /nfs/dbraw/zinc/26/25/48/1067262548.db2.gz GOGILVCXEXSYGU-FXAWDEMLSA-N 1 1 460.026 3.398 20 0 JGADMO Cc1cc(Cn2c(CCCc3ccccc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)no1 ZINC001304224619 1067263542 /nfs/dbraw/zinc/26/35/42/1067263542.db2.gz WHWOBXDMJAPMPK-UHFFFAOYSA-N 1 1 452.603 3.345 20 0 JGADMO Cc1cc(Cn2c(CCCc3ccccc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)no1 ZINC001304224619 1067263547 /nfs/dbraw/zinc/26/35/47/1067263547.db2.gz WHWOBXDMJAPMPK-UHFFFAOYSA-N 1 1 452.603 3.345 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302635225 1067264979 /nfs/dbraw/zinc/26/49/79/1067264979.db2.gz QTOBFVNTBVNZSX-YADHBBJMSA-N 1 1 484.645 3.120 20 0 JGADMO CSc1cc(Cn2c(C)nnc2N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)ccn1 ZINC001302636418 1067266109 /nfs/dbraw/zinc/26/61/09/1067266109.db2.gz IYPJGKXDGACOLD-UHFFFAOYSA-N 1 1 451.644 3.006 20 0 JGADMO Cc1cc(CN2CCN(c3nnc(Cc4ccccc4F)n3CCC[N@H+](C)C(C)C)CC2)no1 ZINC001304231203 1067268073 /nfs/dbraw/zinc/26/80/73/1067268073.db2.gz UUHQWERNPUYQJP-UHFFFAOYSA-N 1 1 469.609 3.357 20 0 JGADMO CSc1cc(Cn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)ccn1 ZINC001302642795 1067271393 /nfs/dbraw/zinc/27/13/93/1067271393.db2.gz XEJNPRASXHZZON-UHFFFAOYSA-N 1 1 453.616 3.052 20 0 JGADMO CSc1cc(Cn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)ccn1 ZINC001302642795 1067271396 /nfs/dbraw/zinc/27/13/96/1067271396.db2.gz XEJNPRASXHZZON-UHFFFAOYSA-N 1 1 453.616 3.052 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302654324 1067282120 /nfs/dbraw/zinc/28/21/20/1067282120.db2.gz GQGIHLPCBFTRFG-XZOQPEGZSA-N 1 1 482.673 3.148 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(-c3cccn3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304249204 1067284398 /nfs/dbraw/zinc/28/43/98/1067284398.db2.gz DTMCOVBHDAKUOB-HSZRJFAPSA-N 1 1 466.630 3.464 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302655987 1067284376 /nfs/dbraw/zinc/28/43/76/1067284376.db2.gz YIJGURQCYLKBLT-IBGZPJMESA-N 1 1 464.655 3.348 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302655987 1067284384 /nfs/dbraw/zinc/28/43/84/1067284384.db2.gz YIJGURQCYLKBLT-IBGZPJMESA-N 1 1 464.655 3.348 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc[nH+]c1C ZINC001302658820 1067286715 /nfs/dbraw/zinc/28/67/15/1067286715.db2.gz QSIBLYZGKRNPHX-UHFFFAOYSA-N 1 1 453.616 3.468 20 0 JGADMO CC(C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302661357 1067288330 /nfs/dbraw/zinc/28/83/30/1067288330.db2.gz DDHXYKQEXPFESR-DHIUTWEWSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302661357 1067288342 /nfs/dbraw/zinc/28/83/42/1067288342.db2.gz DDHXYKQEXPFESR-DHIUTWEWSA-N 1 1 489.686 3.096 20 0 JGADMO Cc1cccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304254446 1067289491 /nfs/dbraw/zinc/28/94/91/1067289491.db2.gz RZXXWCQSGNVFDN-ACESQOTJSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1cccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304254446 1067289496 /nfs/dbraw/zinc/28/94/96/1067289496.db2.gz RZXXWCQSGNVFDN-ACESQOTJSA-N 1 1 471.646 3.493 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001302666290 1067293459 /nfs/dbraw/zinc/29/34/59/1067293459.db2.gz MXJIXUMYBMAFDP-SESVDKBCSA-N 1 1 498.763 3.407 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001302666289 1067293551 /nfs/dbraw/zinc/29/35/51/1067293551.db2.gz MXJIXUMYBMAFDP-HMXCVIKNSA-N 1 1 498.763 3.407 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302667357 1067294644 /nfs/dbraw/zinc/29/46/44/1067294644.db2.gz XVBHNRHXNZWXSY-FBLLAGFSSA-N 1 1 495.734 3.397 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304268757 1067302899 /nfs/dbraw/zinc/30/28/99/1067302899.db2.gz PVCZAGQFTURTOP-NRFANRHFSA-N 1 1 498.672 3.101 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304268757 1067302910 /nfs/dbraw/zinc/30/29/10/1067302910.db2.gz PVCZAGQFTURTOP-NRFANRHFSA-N 1 1 498.672 3.101 20 0 JGADMO Cc1ccc([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001304269440 1067304018 /nfs/dbraw/zinc/30/40/18/1067304018.db2.gz BZOLXVAMTUSWPH-IFMALSPDSA-N 1 1 468.646 3.136 20 0 JGADMO CC(C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001302681374 1067306996 /nfs/dbraw/zinc/30/69/96/1067306996.db2.gz RFBVZRFSWLAVMS-UHFFFAOYSA-N 1 1 467.662 3.482 20 0 JGADMO CSCc1cccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)c1 ZINC001302689854 1067314730 /nfs/dbraw/zinc/31/47/30/1067314730.db2.gz NAPCLSJLKAHWEP-HYBUGGRVSA-N 1 1 484.714 3.377 20 0 JGADMO Cc1ccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC001304276854 1067315661 /nfs/dbraw/zinc/31/56/61/1067315661.db2.gz ALGNXNISKJDBFI-DHIUTWEWSA-N 1 1 489.686 3.189 20 0 JGADMO Cc1ccc([C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)cc1 ZINC001304277819 1067316789 /nfs/dbraw/zinc/31/67/89/1067316789.db2.gz FZTFRIAWONECEQ-VQTJNVASSA-N 1 1 481.613 3.417 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)cc1 ZINC001304277817 1067316840 /nfs/dbraw/zinc/31/68/40/1067316840.db2.gz FZTFRIAWONECEQ-PMACEKPBSA-N 1 1 481.613 3.417 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001302691648 1067317098 /nfs/dbraw/zinc/31/70/98/1067317098.db2.gz ZCDHSOGVHZNPBI-CUYJMHBOSA-N 1 1 485.673 3.415 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001304278544 1067318293 /nfs/dbraw/zinc/31/82/93/1067318293.db2.gz SBHSJWDJVGNLFA-NJDAHSKKSA-N 1 1 477.675 3.216 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001302693580 1067318692 /nfs/dbraw/zinc/31/86/92/1067318692.db2.gz UXFWCFBGAVIXIW-LJQANCHMSA-N 1 1 452.525 3.359 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccoc2)[NH+](C)C)cc1 ZINC001304279010 1067319143 /nfs/dbraw/zinc/31/91/43/1067319143.db2.gz OZVMNYZGAMFNDN-RTWAWAEBSA-N 1 1 457.600 3.021 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302695010 1067320413 /nfs/dbraw/zinc/32/04/13/1067320413.db2.gz DDAMICGCFORKOX-MGPUTAFESA-N 1 1 484.439 3.245 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccn3)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001304280117 1067320665 /nfs/dbraw/zinc/32/06/65/1067320665.db2.gz RKLLQDJYBXGHDD-OAQYLSRUSA-N 1 1 464.614 3.474 20 0 JGADMO CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001302697761 1067323077 /nfs/dbraw/zinc/32/30/77/1067323077.db2.gz IDOCMITYHDXDDC-VWNXMTODSA-N 1 1 454.663 3.328 20 0 JGADMO CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001302701062 1067325668 /nfs/dbraw/zinc/32/56/68/1067325668.db2.gz YPTQHJXIVHRSQV-UHFFFAOYSA-N 1 1 495.716 3.448 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302702004 1067326014 /nfs/dbraw/zinc/32/60/14/1067326014.db2.gz OOVKTJQTPYWHIX-SFTDATJTSA-N 1 1 456.660 3.450 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302705362 1067327533 /nfs/dbraw/zinc/32/75/33/1067327533.db2.gz VUJSJJJBAFUIFJ-DENIHFKCSA-N 1 1 463.573 3.495 20 0 JGADMO Cc1c(Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[N@H+](C(C)C)CC2)cnn1C ZINC001304288357 1067331874 /nfs/dbraw/zinc/33/18/74/1067331874.db2.gz GLXPVVUYCUYYQR-UHFFFAOYSA-N 1 1 451.619 3.485 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304288544 1067332540 /nfs/dbraw/zinc/33/25/40/1067332540.db2.gz PNHIEHGYXQJMAX-RUZDIDTESA-N 1 1 454.619 3.063 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304289499 1067334985 /nfs/dbraw/zinc/33/49/85/1067334985.db2.gz ZEGZQYWPMNVBML-BDTNDASRSA-N 1 1 498.672 3.063 20 0 JGADMO CC(C)c1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1CCN(C)CC(F)(F)F ZINC001302717278 1067335209 /nfs/dbraw/zinc/33/52/09/1067335209.db2.gz XIAZSYBJHVOVIL-BGYRXZFFSA-N 1 1 450.553 3.464 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001302720400 1067336463 /nfs/dbraw/zinc/33/64/63/1067336463.db2.gz ARIWRLFVZQSFSO-QGZVFWFLSA-N 1 1 465.067 3.340 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(S(=O)(=O)Nc4ccccc4F)c[nH]3)C2)cc1 ZINC001302720648 1067336798 /nfs/dbraw/zinc/33/67/98/1067336798.db2.gz AJRFDYWLJVAEBW-GOSISDBHSA-N 1 1 456.543 3.267 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304290203 1067336845 /nfs/dbraw/zinc/33/68/45/1067336845.db2.gz AJOUJXWFHHVYNO-HXUWFJFHSA-N 1 1 497.562 3.352 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304290203 1067336860 /nfs/dbraw/zinc/33/68/60/1067336860.db2.gz AJOUJXWFHHVYNO-HXUWFJFHSA-N 1 1 497.562 3.352 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCn1cc[nH+]c1C ZINC001302722464 1067337750 /nfs/dbraw/zinc/33/77/50/1067337750.db2.gz HMRUCLMWODIZRT-HNNXBMFYSA-N 1 1 452.588 3.377 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCn1cc[nH+]c1C ZINC001302722467 1067337849 /nfs/dbraw/zinc/33/78/49/1067337849.db2.gz HMRUCLMWODIZRT-OAHLLOKOSA-N 1 1 452.588 3.377 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302722135 1067337873 /nfs/dbraw/zinc/33/78/73/1067337873.db2.gz GRVASZOZEWKCMU-OKZBNKHCSA-N 1 1 492.690 3.471 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302727547 1067343293 /nfs/dbraw/zinc/34/32/93/1067343293.db2.gz RCASBGJVLUBXDU-UGKGYDQZSA-N 1 1 459.660 3.240 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)o1 ZINC001304294322 1067343266 /nfs/dbraw/zinc/34/32/66/1067343266.db2.gz OTKGQLJGHKRESL-MSOLQXFVSA-N 1 1 471.627 3.163 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)o1 ZINC001304294322 1067343276 /nfs/dbraw/zinc/34/32/76/1067343276.db2.gz OTKGQLJGHKRESL-MSOLQXFVSA-N 1 1 471.627 3.163 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304295702 1067345042 /nfs/dbraw/zinc/34/50/42/1067345042.db2.gz JMFHEDIODRBRCD-FQEVSTJZSA-N 1 1 480.613 3.052 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302731154 1067345722 /nfs/dbraw/zinc/34/57/22/1067345722.db2.gz IYUPZSJWKBBSGY-VGOFRKELSA-N 1 1 496.772 3.420 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCC(=O)NC(C)C)o1 ZINC001304299464 1067348963 /nfs/dbraw/zinc/34/89/63/1067348963.db2.gz ZYYULDRVGHBJFO-OAQYLSRUSA-N 1 1 450.587 3.472 20 0 JGADMO CSCCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001302743965 1067353772 /nfs/dbraw/zinc/35/37/72/1067353772.db2.gz IJKJYNDMXGDKFV-OAQYLSRUSA-N 1 1 474.650 3.360 20 0 JGADMO CSCCCCCn1c(-c2ccccn2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001302744519 1067354168 /nfs/dbraw/zinc/35/41/68/1067354168.db2.gz MZRKJFJYDYUEBP-UHFFFAOYSA-N 1 1 471.675 3.008 20 0 JGADMO CSCCCCCn1c(-c2ccccn2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001302744519 1067354175 /nfs/dbraw/zinc/35/41/75/1067354175.db2.gz MZRKJFJYDYUEBP-UHFFFAOYSA-N 1 1 471.675 3.008 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001304311198 1067358603 /nfs/dbraw/zinc/35/86/03/1067358603.db2.gz XLVSCLVSDNFTCR-ICSRJNTNSA-N 1 1 488.633 3.308 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001304311367 1067359031 /nfs/dbraw/zinc/35/90/31/1067359031.db2.gz LCVDLIKKNZGWOS-CJAUYULYSA-N 1 1 488.633 3.403 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001304312461 1067359901 /nfs/dbraw/zinc/35/99/01/1067359901.db2.gz PJIIHFPVDYDJNL-QFIPXVFZSA-N 1 1 477.451 3.448 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)o1 ZINC001304318782 1067366263 /nfs/dbraw/zinc/36/62/63/1067366263.db2.gz BAVXNKCQRCRQRZ-LJQANCHMSA-N 1 1 472.634 3.088 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)o1 ZINC001304318782 1067366277 /nfs/dbraw/zinc/36/62/77/1067366277.db2.gz BAVXNKCQRCRQRZ-LJQANCHMSA-N 1 1 472.634 3.088 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCOCC2)CCO1 ZINC001302773061 1067370634 /nfs/dbraw/zinc/37/06/34/1067370634.db2.gz RBSMTVAZWPFHHB-FQEVSTJZSA-N 1 1 451.974 3.321 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001304323099 1067371063 /nfs/dbraw/zinc/37/10/63/1067371063.db2.gz GHJLKGSPYDFZMK-AEFFLSMTSA-N 1 1 489.462 3.415 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001304323865 1067371860 /nfs/dbraw/zinc/37/18/60/1067371860.db2.gz YUWQBTVNKAQEPK-WBVHZDCISA-N 1 1 475.435 3.200 20 0 JGADMO Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC001304325259 1067373852 /nfs/dbraw/zinc/37/38/52/1067373852.db2.gz GFLUUGUHYWPMFI-QGZVFWFLSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC001304325259 1067373861 /nfs/dbraw/zinc/37/38/61/1067373861.db2.gz GFLUUGUHYWPMFI-QGZVFWFLSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC001304325258 1067374024 /nfs/dbraw/zinc/37/40/24/1067374024.db2.gz GFLUUGUHYWPMFI-KRWDZBQOSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC001304325258 1067374032 /nfs/dbraw/zinc/37/40/32/1067374032.db2.gz GFLUUGUHYWPMFI-KRWDZBQOSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304325475 1067374390 /nfs/dbraw/zinc/37/43/90/1067374390.db2.gz VIYQFPRZCIYLHR-SZPZYZBQSA-N 1 1 488.677 3.281 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304325475 1067374401 /nfs/dbraw/zinc/37/44/01/1067374401.db2.gz VIYQFPRZCIYLHR-SZPZYZBQSA-N 1 1 488.677 3.281 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCS(=O)(=O)c2ccccc2)o1 ZINC001304326550 1067375570 /nfs/dbraw/zinc/37/55/70/1067375570.db2.gz VWBFLCLUWZLHER-UHFFFAOYSA-N 1 1 471.627 3.489 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001302781305 1067375553 /nfs/dbraw/zinc/37/55/53/1067375553.db2.gz KEJRTGSVUXUQCT-GOTSBHOMSA-N 1 1 459.610 3.226 20 0 JGADMO CSCCCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302782518 1067376423 /nfs/dbraw/zinc/37/64/23/1067376423.db2.gz AMMDKLBTIHHANH-UHFFFAOYSA-N 1 1 469.663 3.232 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CC[N@@H+]2CCOCC2(C)C)cc1Br ZINC001304328642 1067376901 /nfs/dbraw/zinc/37/69/01/1067376901.db2.gz VMCJUURRCBZRFL-QGZVFWFLSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CC[N@H+]2CCOCC2(C)C)cc1Br ZINC001304328642 1067376910 /nfs/dbraw/zinc/37/69/10/1067376910.db2.gz VMCJUURRCBZRFL-QGZVFWFLSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Br ZINC001304328816 1067377208 /nfs/dbraw/zinc/37/72/08/1067377208.db2.gz XQTWBGGRJWUZEX-IBGZPJMESA-N 1 1 478.435 3.209 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC001302784712 1067377665 /nfs/dbraw/zinc/37/76/65/1067377665.db2.gz XKHOWDLGPYONCU-QHCPKHFHSA-N 1 1 468.646 3.150 20 0 JGADMO Cc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304334880 1067381421 /nfs/dbraw/zinc/38/14/21/1067381421.db2.gz VDAQIFPNXXQKGU-OYRHEFFESA-N 1 1 477.613 3.022 20 0 JGADMO Cc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304334880 1067381434 /nfs/dbraw/zinc/38/14/34/1067381434.db2.gz VDAQIFPNXXQKGU-OYRHEFFESA-N 1 1 477.613 3.022 20 0 JGADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001302798482 1067387278 /nfs/dbraw/zinc/38/72/78/1067387278.db2.gz YDLVFWWNEVAJCB-OYRHQHFDSA-N 1 1 490.737 3.159 20 0 JGADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001304345731 1067388266 /nfs/dbraw/zinc/38/82/66/1067388266.db2.gz OVUSUEWULADHGE-OAQYLSRUSA-N 1 1 461.614 3.269 20 0 JGADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302803931 1067392293 /nfs/dbraw/zinc/39/22/93/1067392293.db2.gz AWDPMGQSWZABGZ-VWNXMTODSA-N 1 1 470.662 3.262 20 0 JGADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302803931 1067392301 /nfs/dbraw/zinc/39/23/01/1067392301.db2.gz AWDPMGQSWZABGZ-VWNXMTODSA-N 1 1 470.662 3.262 20 0 JGADMO CSCCCn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001302815345 1067402271 /nfs/dbraw/zinc/40/22/71/1067402271.db2.gz NPVOFTXLVSTNDU-UHFFFAOYSA-N 1 1 457.623 3.207 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304364945 1067403221 /nfs/dbraw/zinc/40/32/21/1067403221.db2.gz JMWCUQPZHSTXBU-FXAWDEMLSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001304365431 1067404169 /nfs/dbraw/zinc/40/41/69/1067404169.db2.gz LCALILVLVYTJBP-HXUWFJFHSA-N 1 1 453.566 3.056 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2nccs2)cc1C ZINC001304376172 1067417021 /nfs/dbraw/zinc/41/70/21/1067417021.db2.gz UYNHZGWYZMAPJG-UHFFFAOYSA-N 1 1 497.669 3.393 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2nccs2)cc1C ZINC001304376172 1067417025 /nfs/dbraw/zinc/41/70/25/1067417025.db2.gz UYNHZGWYZMAPJG-UHFFFAOYSA-N 1 1 497.669 3.393 20 0 JGADMO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001302827839 1067417749 /nfs/dbraw/zinc/41/77/49/1067417749.db2.gz WKTMIRIIVBNENI-OKYOBFRVSA-N 1 1 464.680 3.475 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001304376812 1067418925 /nfs/dbraw/zinc/41/89/25/1067418925.db2.gz BBEAONPBAAQHBA-JOCHJYFZSA-N 1 1 495.672 3.359 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(CCCO)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001304377182 1067419460 /nfs/dbraw/zinc/41/94/60/1067419460.db2.gz FNACVFJAXICIBO-FQEVSTJZSA-N 1 1 498.672 3.104 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCOC(C)(C)C)cc1C ZINC001304377711 1067420816 /nfs/dbraw/zinc/42/08/16/1067420816.db2.gz LNMBHDVFDAZODD-SANMLTNESA-N 1 1 484.645 3.263 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1O ZINC001302835258 1067422407 /nfs/dbraw/zinc/42/24/07/1067422407.db2.gz UZHPDUMFVJYDRS-MNEFBYGVSA-N 1 1 479.467 3.374 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001302837839 1067423924 /nfs/dbraw/zinc/42/39/24/1067423924.db2.gz URIFHFMYAKGFTK-QFIPXVFZSA-N 1 1 498.672 3.481 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)CC[C@H]3C)n2CCC[NH+]2CCOCC2)cc1C ZINC001304380359 1067427838 /nfs/dbraw/zinc/42/78/38/1067427838.db2.gz YZVPSUSCHPJHNG-WIYYLYMNSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCC[NH+]2CCOCC2)cc1C ZINC001304380356 1067427870 /nfs/dbraw/zinc/42/78/70/1067427870.db2.gz YZVPSUSCHPJHNG-GHTZIAJQSA-N 1 1 454.619 3.494 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302841352 1067427940 /nfs/dbraw/zinc/42/79/40/1067427940.db2.gz KSISMSBOISEPOR-UHFFFAOYSA-N 1 1 481.689 3.031 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302841352 1067427945 /nfs/dbraw/zinc/42/79/45/1067427945.db2.gz KSISMSBOISEPOR-UHFFFAOYSA-N 1 1 481.689 3.031 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302841352 1067427952 /nfs/dbraw/zinc/42/79/52/1067427952.db2.gz KSISMSBOISEPOR-UHFFFAOYSA-N 1 1 481.689 3.031 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCCOC(F)F)cc1C ZINC001304382342 1067430572 /nfs/dbraw/zinc/43/05/72/1067430572.db2.gz GMFLDPMLPNJRPR-FQEVSTJZSA-N 1 1 492.571 3.078 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001304382729 1067431418 /nfs/dbraw/zinc/43/14/18/1067431418.db2.gz LQKCTXKLACKTGJ-PZJWPPBQSA-N 1 1 493.612 3.135 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302846802 1067432096 /nfs/dbraw/zinc/43/20/96/1067432096.db2.gz XXNWGOCSWGJHJE-GFJKYASSSA-N 1 1 461.676 3.207 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304383398 1067432477 /nfs/dbraw/zinc/43/24/77/1067432477.db2.gz KSCVMFQIKIQEJP-SFHVURJKSA-N 1 1 475.588 3.017 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1C ZINC001304384904 1067436140 /nfs/dbraw/zinc/43/61/40/1067436140.db2.gz WAJCFTZRHOAHDS-FQEVSTJZSA-N 1 1 467.662 3.410 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001304384803 1067436262 /nfs/dbraw/zinc/43/62/62/1067436262.db2.gz SPSVQCGOTZRVIT-UHFFFAOYSA-N 1 1 481.567 3.172 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001302853021 1067437580 /nfs/dbraw/zinc/43/75/80/1067437580.db2.gz QKPQSIGCIHMFFY-ZXYWRSMDSA-N 1 1 488.352 3.409 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304385607 1067438094 /nfs/dbraw/zinc/43/80/94/1067438094.db2.gz ZCPNLQKNXNCMOX-SIKLNZKXSA-N 1 1 454.619 3.491 20 0 JGADMO CC(C)Cc1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCN1CCOC[C@H]1C ZINC001302855762 1067438615 /nfs/dbraw/zinc/43/86/15/1067438615.db2.gz VDWFKZSWFKGZIC-ISKFKSNPSA-N 1 1 454.663 3.156 20 0 JGADMO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCN1CCOC[C@H]1C ZINC001302855765 1067439167 /nfs/dbraw/zinc/43/91/67/1067439167.db2.gz VDWFKZSWFKGZIC-VWNXMTODSA-N 1 1 454.663 3.156 20 0 JGADMO CC(C)Cc1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302859069 1067441566 /nfs/dbraw/zinc/44/15/66/1067441566.db2.gz PLBJXVPUEWDNRC-DEOSSOPVSA-N 1 1 477.650 3.339 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001302860323 1067442677 /nfs/dbraw/zinc/44/26/77/1067442677.db2.gz UABROKPYXTXXMI-MISYRCLQSA-N 1 1 499.603 3.337 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001304387710 1067444175 /nfs/dbraw/zinc/44/41/75/1067444175.db2.gz GDZOEFNMJZBMTD-RZUBCFFCSA-N 1 1 495.672 3.369 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001304387769 1067444571 /nfs/dbraw/zinc/44/45/71/1067444571.db2.gz YYKOVSWSNURBAD-LJQANCHMSA-N 1 1 454.619 3.496 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001302862507 1067445127 /nfs/dbraw/zinc/44/51/27/1067445127.db2.gz IWJMTKHMKKNRIK-VQIMIIECSA-N 1 1 471.499 3.353 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304388260 1067446019 /nfs/dbraw/zinc/44/60/19/1067446019.db2.gz ASVATIRDQRORGT-JTHBVZDNSA-N 1 1 484.645 3.404 20 0 JGADMO Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCOCC3)CC2)nc1 ZINC001304388294 1067446037 /nfs/dbraw/zinc/44/60/37/1067446037.db2.gz BBGZMUZPWCCEQL-UHFFFAOYSA-N 1 1 483.661 3.245 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001302865699 1067446652 /nfs/dbraw/zinc/44/66/52/1067446652.db2.gz DOLSAXDMYVVWHE-UYAOXDASSA-N 1 1 492.665 3.122 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302869763 1067449916 /nfs/dbraw/zinc/44/99/16/1067449916.db2.gz JCHVLBZIZVCVKI-APWZRJJASA-N 1 1 477.009 3.033 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302869763 1067449919 /nfs/dbraw/zinc/44/99/19/1067449919.db2.gz JCHVLBZIZVCVKI-APWZRJJASA-N 1 1 477.009 3.033 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302871131 1067451885 /nfs/dbraw/zinc/45/18/85/1067451885.db2.gz JAFKBLVWKADOMH-LJQANCHMSA-N 1 1 471.650 3.488 20 0 JGADMO C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001302871865 1067453818 /nfs/dbraw/zinc/45/38/18/1067453818.db2.gz QRRUVKTWBPVJDF-GOSISDBHSA-N 1 1 492.690 3.391 20 0 JGADMO C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001302871865 1067453822 /nfs/dbraw/zinc/45/38/22/1067453822.db2.gz QRRUVKTWBPVJDF-GOSISDBHSA-N 1 1 492.690 3.391 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001304393570 1067454186 /nfs/dbraw/zinc/45/41/86/1067454186.db2.gz SMXFXJUJTZHKLL-NRFANRHFSA-N 1 1 481.645 3.249 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302872297 1067454986 /nfs/dbraw/zinc/45/49/86/1067454986.db2.gz KUCYQROTPRJAAS-HXUWFJFHSA-N 1 1 459.660 3.484 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302880635 1067461895 /nfs/dbraw/zinc/46/18/95/1067461895.db2.gz VTSCKDDDSKOGHY-YBXDKENTSA-N 1 1 452.647 3.479 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001304399809 1067462826 /nfs/dbraw/zinc/46/28/26/1067462826.db2.gz CKIFYINVCGZTSI-INIZCTEOSA-N 1 1 455.525 3.441 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1ccc(F)c(F)c1F ZINC001302881669 1067463021 /nfs/dbraw/zinc/46/30/21/1067463021.db2.gz JDVWXFYZZKCKAF-HSZRJFAPSA-N 1 1 451.537 3.438 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCCC(C)(C)C2)CCN1S(C)(=O)=O ZINC001302882425 1067463882 /nfs/dbraw/zinc/46/38/82/1067463882.db2.gz GIEHZESVQSPNKM-SFHVURJKSA-N 1 1 495.093 3.191 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001302882619 1067464443 /nfs/dbraw/zinc/46/44/43/1067464443.db2.gz KUWRFXZGUHVIPB-BXKMTCNYSA-N 1 1 491.036 3.111 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001304402759 1067464739 /nfs/dbraw/zinc/46/47/39/1067464739.db2.gz VEPXIFKZCXDJEO-DHIUTWEWSA-N 1 1 471.646 3.448 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304402762 1067464755 /nfs/dbraw/zinc/46/47/55/1067464755.db2.gz VEPXIFKZCXDJEO-XZOQPEGZSA-N 1 1 471.646 3.448 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001304403439 1067465806 /nfs/dbraw/zinc/46/58/06/1067465806.db2.gz IWDICZIEWLPVJJ-ZLNRFVROSA-N 1 1 470.662 3.195 20 0 JGADMO CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302886083 1067466741 /nfs/dbraw/zinc/46/67/41/1067466741.db2.gz GTSJOIOBKPPFJD-RUZDIDTESA-N 1 1 496.700 3.462 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001304404323 1067466849 /nfs/dbraw/zinc/46/68/49/1067466849.db2.gz PKQHQQXBVNWOFH-UHFFFAOYSA-N 1 1 470.662 3.056 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCSCCCO)cc1C ZINC001304404659 1067467306 /nfs/dbraw/zinc/46/73/06/1067467306.db2.gz QPZZKFNIGILKMK-RTWAWAEBSA-N 1 1 459.660 3.262 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCC3)n2CCCC[N@H+]2CCC[C@H]2CO)CCN1C(=O)OC(C)(C)C ZINC001302888003 1067467756 /nfs/dbraw/zinc/46/77/56/1067467756.db2.gz WMJGDZXZTKRALT-FPOVZHCZSA-N 1 1 476.666 3.228 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302888503 1067468386 /nfs/dbraw/zinc/46/83/86/1067468386.db2.gz BHNJEKLIYUWKDA-RPWUZVMVSA-N 1 1 466.674 3.488 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)n2CC(C)(C)O)cc1 ZINC001304405483 1067468643 /nfs/dbraw/zinc/46/86/43/1067468643.db2.gz ZYLCKCPJUDFDFQ-GBXCKJPGSA-N 1 1 481.645 3.189 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304406106 1067470110 /nfs/dbraw/zinc/47/01/10/1067470110.db2.gz AUKIBFLSVVZXPT-HFZDXXHNSA-N 1 1 468.646 3.296 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304406108 1067470124 /nfs/dbraw/zinc/47/01/24/1067470124.db2.gz AUKIBFLSVVZXPT-QFQXNSOFSA-N 1 1 468.646 3.296 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001302892080 1067471641 /nfs/dbraw/zinc/47/16/41/1067471641.db2.gz AKTNGGYTHPPIOQ-LEWJYISDSA-N 1 1 476.666 3.035 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001304407225 1067472108 /nfs/dbraw/zinc/47/21/08/1067472108.db2.gz YYMRTCXOBYZVPR-VXKWHMMOSA-N 1 1 468.646 3.200 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccccc1Br ZINC001302892551 1067472930 /nfs/dbraw/zinc/47/29/30/1067472930.db2.gz IXTZXFGOUREAET-SFHVURJKSA-N 1 1 462.436 3.446 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001302893102 1067473958 /nfs/dbraw/zinc/47/39/58/1067473958.db2.gz RLFOZRWHIYYASB-IBGZPJMESA-N 1 1 478.682 3.423 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001302893102 1067473961 /nfs/dbraw/zinc/47/39/61/1067473961.db2.gz RLFOZRWHIYYASB-IBGZPJMESA-N 1 1 478.682 3.423 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304408964 1067474358 /nfs/dbraw/zinc/47/43/58/1067474358.db2.gz YOBMUWSSJVDHAK-FUPPJEDESA-N 1 1 457.619 3.136 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001304410466 1067476527 /nfs/dbraw/zinc/47/65/27/1067476527.db2.gz FNEHTIYTTGMNAU-DEOSSOPVSA-N 1 1 484.689 3.443 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001302898442 1067480094 /nfs/dbraw/zinc/48/00/94/1067480094.db2.gz GCAHJAWVKJHMHT-KDURUIRLSA-N 1 1 468.627 3.015 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(COc4ccc(C)cc4)n3CC[N@H+](C)C(C)C)CC2)no1 ZINC001304411668 1067480070 /nfs/dbraw/zinc/48/00/70/1067480070.db2.gz VSRKRCONGKEPQU-UHFFFAOYSA-N 1 1 495.628 3.201 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302899973 1067482474 /nfs/dbraw/zinc/48/24/74/1067482474.db2.gz PEOQMHSKYAKYQH-NRFANRHFSA-N 1 1 487.624 3.127 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302899973 1067482478 /nfs/dbraw/zinc/48/24/78/1067482478.db2.gz PEOQMHSKYAKYQH-NRFANRHFSA-N 1 1 487.624 3.127 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302900193 1067482962 /nfs/dbraw/zinc/48/29/62/1067482962.db2.gz SFDOVUPOIDTRBG-UGKGYDQZSA-N 1 1 453.635 3.037 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccccc2)C[C@H](C)O1 ZINC001302901197 1067484506 /nfs/dbraw/zinc/48/45/06/1067484506.db2.gz FWDFLEXXGOYRFK-OYRHEFFESA-N 1 1 477.613 3.104 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccccc2)C[C@H](C)O1 ZINC001302901197 1067484507 /nfs/dbraw/zinc/48/45/07/1067484507.db2.gz FWDFLEXXGOYRFK-OYRHEFFESA-N 1 1 477.613 3.104 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCC(F)F)C[C@H](C)O1 ZINC001302901752 1067485604 /nfs/dbraw/zinc/48/56/04/1067485604.db2.gz NWVZDIKOSHTXHT-HDICACEKSA-N 1 1 492.615 3.169 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCC(F)F)C[C@H](C)O1 ZINC001302901752 1067485609 /nfs/dbraw/zinc/48/56/09/1067485609.db2.gz NWVZDIKOSHTXHT-HDICACEKSA-N 1 1 492.615 3.169 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001304415328 1067486266 /nfs/dbraw/zinc/48/62/66/1067486266.db2.gz BCLHXLTYAIMSAD-FYYLOGMGSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1nc(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n[nH]1 ZINC001304415614 1067486804 /nfs/dbraw/zinc/48/68/04/1067486804.db2.gz GEDSELIYIUXUJZ-UHFFFAOYSA-N 1 1 452.607 3.145 20 0 JGADMO Cc1n[nH]c(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001304415614 1067486807 /nfs/dbraw/zinc/48/68/07/1067486807.db2.gz GEDSELIYIUXUJZ-UHFFFAOYSA-N 1 1 452.607 3.145 20 0 JGADMO Cc1n[nH]c(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001304415614 1067486811 /nfs/dbraw/zinc/48/68/11/1067486811.db2.gz GEDSELIYIUXUJZ-UHFFFAOYSA-N 1 1 452.607 3.145 20 0 JGADMO Cc1nnc(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)[nH]1 ZINC001304415614 1067486814 /nfs/dbraw/zinc/48/68/14/1067486814.db2.gz GEDSELIYIUXUJZ-UHFFFAOYSA-N 1 1 452.607 3.145 20 0 JGADMO Cc1nnc(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)[nH]1 ZINC001304415614 1067486817 /nfs/dbraw/zinc/48/68/17/1067486817.db2.gz GEDSELIYIUXUJZ-UHFFFAOYSA-N 1 1 452.607 3.145 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2CCCNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC001302902201 1067486943 /nfs/dbraw/zinc/48/69/43/1067486943.db2.gz YNDKOIJHGBCOET-HDICACEKSA-N 1 1 452.644 3.036 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2CCCNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC001302902201 1067486947 /nfs/dbraw/zinc/48/69/47/1067486947.db2.gz YNDKOIJHGBCOET-HDICACEKSA-N 1 1 452.644 3.036 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CCCNC(=O)C2CCC2)C[C@H](C)O1 ZINC001302902248 1067487123 /nfs/dbraw/zinc/48/71/23/1067487123.db2.gz ZRPFZZWBWDAAGU-KDURUIRLSA-N 1 1 489.064 3.450 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CCCNC(=O)C2CCC2)C[C@H](C)O1 ZINC001302902248 1067487124 /nfs/dbraw/zinc/48/71/24/1067487124.db2.gz ZRPFZZWBWDAAGU-KDURUIRLSA-N 1 1 489.064 3.450 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001304415862 1067487286 /nfs/dbraw/zinc/48/72/86/1067487286.db2.gz KINMOYKRAPZGOD-FGZHOGPDSA-N 1 1 468.646 3.391 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001304417002 1067489138 /nfs/dbraw/zinc/48/91/38/1067489138.db2.gz RVZVIMHCKPHSMP-SIKLNZKXSA-N 1 1 475.659 3.052 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2CCc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001302904855 1067489172 /nfs/dbraw/zinc/48/91/72/1067489172.db2.gz BBHINUBOZHALPU-HDICACEKSA-N 1 1 458.557 3.350 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2CCc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001302904855 1067489178 /nfs/dbraw/zinc/48/91/78/1067489178.db2.gz BBHINUBOZHALPU-HDICACEKSA-N 1 1 458.557 3.350 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC001302905242 1067489720 /nfs/dbraw/zinc/48/97/20/1067489720.db2.gz IKKBVARPQPNRLY-NSHGMRRFSA-N 1 1 497.562 3.317 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC001302905242 1067489727 /nfs/dbraw/zinc/48/97/27/1067489727.db2.gz IKKBVARPQPNRLY-NSHGMRRFSA-N 1 1 497.562 3.317 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2CCCc2cccc(F)c2)C[C@H](C)O1 ZINC001302905333 1067490424 /nfs/dbraw/zinc/49/04/24/1067490424.db2.gz LLDNAKNKVBURSB-KDURUIRLSA-N 1 1 453.566 3.052 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2CCCc2cccc(F)c2)C[C@H](C)O1 ZINC001302905333 1067490431 /nfs/dbraw/zinc/49/04/31/1067490431.db2.gz LLDNAKNKVBURSB-KDURUIRLSA-N 1 1 453.566 3.052 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCC(=O)NC(C)C)cc1 ZINC001304417859 1067490681 /nfs/dbraw/zinc/49/06/81/1067490681.db2.gz FQZYMZGXIQTINJ-OAQYLSRUSA-N 1 1 468.646 3.391 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)C(F)(F)F)C[C@H](C)O1 ZINC001302908372 1067493033 /nfs/dbraw/zinc/49/30/33/1067493033.db2.gz KJLMUIBPCPWQBR-CALCHBBNSA-N 1 1 454.541 3.398 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)C(F)(F)F)C[C@H](C)O1 ZINC001302908372 1067493035 /nfs/dbraw/zinc/49/30/35/1067493035.db2.gz KJLMUIBPCPWQBR-CALCHBBNSA-N 1 1 454.541 3.398 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCCOC(F)(F)F)cc1 ZINC001304418716 1067493272 /nfs/dbraw/zinc/49/32/72/1067493272.db2.gz KTVXECCUICIEKO-FQEVSTJZSA-N 1 1 483.535 3.393 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CSCCS2)C[C@H](C)O1 ZINC001302909402 1067494649 /nfs/dbraw/zinc/49/46/49/1067494649.db2.gz RRWDEFCGBVLTQF-LVCYWYKZSA-N 1 1 479.691 3.402 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CSCCS2)C[C@H](C)O1 ZINC001302909402 1067494655 /nfs/dbraw/zinc/49/46/55/1067494655.db2.gz RRWDEFCGBVLTQF-LVCYWYKZSA-N 1 1 479.691 3.402 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302911485 1067497143 /nfs/dbraw/zinc/49/71/43/1067497143.db2.gz WOCLZZDWKKEFFT-IPELMVKDSA-N 1 1 461.010 3.189 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(CCOc2ccccc2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302915046 1067499121 /nfs/dbraw/zinc/49/91/21/1067499121.db2.gz QVWMSHVFKORTPC-QFIPXVFZSA-N 1 1 484.689 3.177 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302919586 1067500884 /nfs/dbraw/zinc/50/08/84/1067500884.db2.gz MRXWJZXMOAUFQO-PMACEKPBSA-N 1 1 455.651 3.314 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001302920320 1067501741 /nfs/dbraw/zinc/50/17/41/1067501741.db2.gz SJJHZUDYGICBRJ-NJDAHSKKSA-N 1 1 451.681 3.002 20 0 JGADMO Cc1ccc(OCc2nnc(Nc3cnn(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001304425048 1067502159 /nfs/dbraw/zinc/50/21/59/1067502159.db2.gz HSVSYKLQSIBWKO-BGYRXZFFSA-N 1 1 453.591 3.450 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001304425128 1067502274 /nfs/dbraw/zinc/50/22/74/1067502274.db2.gz LGKZKYJALLKXOF-OAQYLSRUSA-N 1 1 454.619 3.004 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001302922212 1067502386 /nfs/dbraw/zinc/50/23/86/1067502386.db2.gz BGFFRYNIELZJOJ-QFIPXVFZSA-N 1 1 456.610 3.339 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302922802 1067502830 /nfs/dbraw/zinc/50/28/30/1067502830.db2.gz JKSQXSHXSGVAPQ-RBUKOAKNSA-N 1 1 483.583 3.380 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302924053 1067504198 /nfs/dbraw/zinc/50/41/98/1067504198.db2.gz WKZCNYPWCHSMFK-HBMCJLEFSA-N 1 1 478.682 3.469 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302924088 1067504296 /nfs/dbraw/zinc/50/42/96/1067504296.db2.gz WRNYUAXHDXUENF-QHAWAJNXSA-N 1 1 462.683 3.105 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001304428161 1067505232 /nfs/dbraw/zinc/50/52/32/1067505232.db2.gz IJGCUVZYQAIWHE-OAQYLSRUSA-N 1 1 450.587 3.193 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001304428161 1067505239 /nfs/dbraw/zinc/50/52/39/1067505239.db2.gz IJGCUVZYQAIWHE-OAQYLSRUSA-N 1 1 450.587 3.193 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302928739 1067506315 /nfs/dbraw/zinc/50/63/15/1067506315.db2.gz GBSGGFODSFPREP-XJUOHMSHSA-N 1 1 494.750 3.428 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304429260 1067506906 /nfs/dbraw/zinc/50/69/06/1067506906.db2.gz OXBOHTQKZWGHNS-GOTSBHOMSA-N 1 1 471.646 3.497 20 0 JGADMO Cc1ccc(OCCn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC001304430065 1067507632 /nfs/dbraw/zinc/50/76/32/1067507632.db2.gz UDIVWZCIWKSFFC-DEOSSOPVSA-N 1 1 470.662 3.020 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302932879 1067508170 /nfs/dbraw/zinc/50/81/70/1067508170.db2.gz FDUOPRILUVPYHQ-XMMPIXPASA-N 1 1 488.721 3.452 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304430600 1067508254 /nfs/dbraw/zinc/50/82/54/1067508254.db2.gz YSLZZJGJNGIZEK-VXKWHMMOSA-N 1 1 457.619 3.107 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302933974 1067509073 /nfs/dbraw/zinc/50/90/73/1067509073.db2.gz SDNSPBTVZZJWTB-DEOSSOPVSA-N 1 1 482.673 3.186 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001302936572 1067509746 /nfs/dbraw/zinc/50/97/46/1067509746.db2.gz FTFGGOJAFZHCLS-UHFFFAOYSA-N 1 1 497.688 3.232 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001302936572 1067509754 /nfs/dbraw/zinc/50/97/54/1067509754.db2.gz FTFGGOJAFZHCLS-UHFFFAOYSA-N 1 1 497.688 3.232 20 0 JGADMO CC(C)Cc1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302937061 1067510152 /nfs/dbraw/zinc/51/01/52/1067510152.db2.gz HYWREIKTLPNODG-DNQXCXABSA-N 1 1 482.673 3.387 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302937796 1067511306 /nfs/dbraw/zinc/51/13/06/1067511306.db2.gz CHRJRDPVPOPSJC-NHCUHLMSSA-N 1 1 460.692 3.390 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302938528 1067512080 /nfs/dbraw/zinc/51/20/80/1067512080.db2.gz SDGZQFGFJGRHON-URXFXBBRSA-N 1 1 472.653 3.467 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001302938593 1067512154 /nfs/dbraw/zinc/51/21/54/1067512154.db2.gz JESWKNFHSCEBIP-KMDXXIMOSA-N 1 1 460.711 3.393 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001304433332 1067512207 /nfs/dbraw/zinc/51/22/07/1067512207.db2.gz DIMNVYXZAQXZPE-LEWJYISDSA-N 1 1 459.660 3.462 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001304433223 1067512303 /nfs/dbraw/zinc/51/23/03/1067512303.db2.gz AFYYHVUNJXNTSC-RUZDIDTESA-N 1 1 499.685 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302938866 1067512754 /nfs/dbraw/zinc/51/27/54/1067512754.db2.gz UGNKALBRWPVPBR-QHCPKHFHSA-N 1 1 470.710 3.290 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302938866 1067512761 /nfs/dbraw/zinc/51/27/61/1067512761.db2.gz UGNKALBRWPVPBR-QHCPKHFHSA-N 1 1 470.710 3.290 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302940318 1067514700 /nfs/dbraw/zinc/51/47/00/1067514700.db2.gz ZGFHMBJSOHZJJG-OAQYLSRUSA-N 1 1 468.646 3.265 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302940299 1067514739 /nfs/dbraw/zinc/51/47/39/1067514739.db2.gz YTUCMTRQNXORDH-OAQYLSRUSA-N 1 1 456.635 3.400 20 0 JGADMO FC(F)(F)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302942029 1067516017 /nfs/dbraw/zinc/51/60/17/1067516017.db2.gz WKIPVMNPJSYDEN-AWEZNQCLSA-N 1 1 461.941 3.415 20 0 JGADMO FC(F)(F)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302942029 1067516022 /nfs/dbraw/zinc/51/60/22/1067516022.db2.gz WKIPVMNPJSYDEN-AWEZNQCLSA-N 1 1 461.941 3.415 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001302945742 1067518880 /nfs/dbraw/zinc/51/88/80/1067518880.db2.gz JFWFYSXUZWJXCM-UHFFFAOYSA-N 1 1 498.672 3.414 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001304441074 1067521822 /nfs/dbraw/zinc/52/18/22/1067521822.db2.gz QPEGVQNZTDYAMB-OYRHEFFESA-N 1 1 491.727 3.482 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001304448613 1067530404 /nfs/dbraw/zinc/53/04/04/1067530404.db2.gz SJCFCVBZDHREIL-QFIPXVFZSA-N 1 1 481.689 3.437 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001302964743 1067534798 /nfs/dbraw/zinc/53/47/98/1067534798.db2.gz HOZQPYLIKCAKEX-UHFFFAOYSA-N 1 1 473.668 3.312 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC001304453813 1067535226 /nfs/dbraw/zinc/53/52/26/1067535226.db2.gz YSOPNKKFDHTBIZ-QFIPXVFZSA-N 1 1 461.614 3.274 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001302965453 1067535314 /nfs/dbraw/zinc/53/53/14/1067535314.db2.gz DJGJYLRIWPIEIB-QFIPXVFZSA-N 1 1 468.646 3.077 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001302965452 1067535323 /nfs/dbraw/zinc/53/53/23/1067535323.db2.gz DJGJYLRIWPIEIB-JOCHJYFZSA-N 1 1 468.646 3.077 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001304454511 1067536042 /nfs/dbraw/zinc/53/60/42/1067536042.db2.gz NJRYSWDNTJHCIH-MRXNPFEDSA-N 1 1 460.504 3.423 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001304454511 1067536048 /nfs/dbraw/zinc/53/60/48/1067536048.db2.gz NJRYSWDNTJHCIH-MRXNPFEDSA-N 1 1 460.504 3.423 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CSCCS2)n1 ZINC001304459619 1067538966 /nfs/dbraw/zinc/53/89/66/1067538966.db2.gz JDWXFFPNWGAYDL-CEXWTWQISA-N 1 1 462.689 3.043 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CSCCS2)n1 ZINC001304459619 1067538972 /nfs/dbraw/zinc/53/89/72/1067538972.db2.gz JDWXFFPNWGAYDL-CEXWTWQISA-N 1 1 462.689 3.043 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302971701 1067539826 /nfs/dbraw/zinc/53/98/26/1067539826.db2.gz GZSLYJORQVQBET-NRFANRHFSA-N 1 1 480.579 3.062 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCOc3ccccc3C)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001304461946 1067540376 /nfs/dbraw/zinc/54/03/76/1067540376.db2.gz JZHVCZUOASZDKL-NRFANRHFSA-N 1 1 450.587 3.193 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001302975142 1067541582 /nfs/dbraw/zinc/54/15/82/1067541582.db2.gz JUXHSUQTISOTED-FQEVSTJZSA-N 1 1 464.655 3.081 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302975479 1067541717 /nfs/dbraw/zinc/54/17/17/1067541717.db2.gz KOYNPGWCNAVLDT-WOJBJXKFSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302976979 1067542834 /nfs/dbraw/zinc/54/28/34/1067542834.db2.gz RRQMPSVYFINHNN-NRFANRHFSA-N 1 1 463.573 3.444 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302976979 1067542844 /nfs/dbraw/zinc/54/28/44/1067542844.db2.gz RRQMPSVYFINHNN-NRFANRHFSA-N 1 1 463.573 3.444 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304465092 1067543302 /nfs/dbraw/zinc/54/33/02/1067543302.db2.gz MUBHTEHPZZEIBE-FBBABVLZSA-N 1 1 469.634 3.482 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304468752 1067547654 /nfs/dbraw/zinc/54/76/54/1067547654.db2.gz HLERJUNPWHKLTE-TZIWHRDSSA-N 1 1 467.662 3.464 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CCOC(C)C)n1 ZINC001304469183 1067548386 /nfs/dbraw/zinc/54/83/86/1067548386.db2.gz NQWUZFBZLAEWCB-UHFFFAOYSA-N 1 1 455.651 3.068 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304469745 1067548646 /nfs/dbraw/zinc/54/86/46/1067548646.db2.gz QSEHYWLJUOFZGV-IBGZPJMESA-N 1 1 453.635 3.075 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001302990445 1067551955 /nfs/dbraw/zinc/55/19/55/1067551955.db2.gz FFXXPSCATPLMPE-ACRUOGEOSA-N 1 1 488.702 3.208 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304475135 1067553390 /nfs/dbraw/zinc/55/33/90/1067553390.db2.gz ZPVKHKVMUQIVIY-LEWJYISDSA-N 1 1 453.635 3.121 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(c4ccc(F)cn4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304476678 1067554868 /nfs/dbraw/zinc/55/48/68/1067554868.db2.gz KACMOELJGIJWDL-UHFFFAOYSA-N 1 1 452.582 3.240 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001302998098 1067556793 /nfs/dbraw/zinc/55/67/93/1067556793.db2.gz GSOVGSOLFMIKJG-PMACEKPBSA-N 1 1 474.675 3.110 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001304478803 1067557666 /nfs/dbraw/zinc/55/76/66/1067557666.db2.gz LWBNIJFRPKWHKB-IFMALSPDSA-N 1 1 467.662 3.462 20 0 JGADMO Cc1cccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001304479642 1067559087 /nfs/dbraw/zinc/55/90/87/1067559087.db2.gz ZDKRVTHPUOEXFC-UHFFFAOYSA-N 1 1 467.618 3.215 20 0 JGADMO Cc1cccc(CCCn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001304485388 1067564183 /nfs/dbraw/zinc/56/41/83/1067564183.db2.gz DLSFOWVVYDLGGT-UHFFFAOYSA-N 1 1 463.630 3.147 20 0 JGADMO Cc1cccc(CCCn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001304485388 1067564189 /nfs/dbraw/zinc/56/41/89/1067564189.db2.gz DLSFOWVVYDLGGT-UHFFFAOYSA-N 1 1 463.630 3.147 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001304496003 1067572176 /nfs/dbraw/zinc/57/21/76/1067572176.db2.gz CBADXKBBEUUBBN-FQEVSTJZSA-N 1 1 481.689 3.475 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303020199 1067572427 /nfs/dbraw/zinc/57/24/27/1067572427.db2.gz ADUXWSJLPJGVNZ-UIOOFZCWSA-N 1 1 489.636 3.484 20 0 JGADMO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001304499763 1067574638 /nfs/dbraw/zinc/57/46/38/1067574638.db2.gz CCXNTXNWWVOIRX-SZPZYZBQSA-N 1 1 497.688 3.305 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(N2CC[N@H+]3CCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303022891 1067574983 /nfs/dbraw/zinc/57/49/83/1067574983.db2.gz SFXCYQYICMEZIV-ZODMCCGTSA-N 1 1 463.667 3.180 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303023348 1067575873 /nfs/dbraw/zinc/57/58/73/1067575873.db2.gz WCAJNPSIGVEPDG-WIHVIGOGSA-N 1 1 463.667 3.179 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@](C)(O)C(C)C)c1 ZINC001304503238 1067577534 /nfs/dbraw/zinc/57/75/34/1067577534.db2.gz BVNGQVICEQCBKM-RUZDIDTESA-N 1 1 459.635 3.120 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@](C)(O)C(C)C)c1 ZINC001304503238 1067577542 /nfs/dbraw/zinc/57/75/42/1067577542.db2.gz BVNGQVICEQCBKM-RUZDIDTESA-N 1 1 459.635 3.120 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304504528 1067578566 /nfs/dbraw/zinc/57/85/66/1067578566.db2.gz UVDLKQKEWPODRP-NRFANRHFSA-N 1 1 468.646 3.379 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001304506746 1067580284 /nfs/dbraw/zinc/58/02/84/1067580284.db2.gz MNFDXWNUIXDROH-SANMLTNESA-N 1 1 468.646 3.200 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCCS(C)(=O)=O)c1 ZINC001304507766 1067581608 /nfs/dbraw/zinc/58/16/08/1067581608.db2.gz AXRFAIFVEZDWIU-UHFFFAOYSA-N 1 1 475.659 3.055 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001304509316 1067583767 /nfs/dbraw/zinc/58/37/67/1067583767.db2.gz ORSIQIZPVYLFFH-HSZRJFAPSA-N 1 1 489.686 3.301 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CCC(=O)N(C)C)c1 ZINC001304512179 1067588505 /nfs/dbraw/zinc/58/85/05/1067588505.db2.gz MGCCYZYIHRJPJJ-UHFFFAOYSA-N 1 1 468.627 3.028 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCOCC(F)F)c1 ZINC001304512197 1067588532 /nfs/dbraw/zinc/58/85/32/1067588532.db2.gz MSQYDGBCFGTOSJ-IBGZPJMESA-N 1 1 479.572 3.137 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304514615 1067591618 /nfs/dbraw/zinc/59/16/18/1067591618.db2.gz KMQJESPPHSMNSQ-JFYQVNSESA-N 1 1 471.646 3.260 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304515133 1067592023 /nfs/dbraw/zinc/59/20/23/1067592023.db2.gz OCUWJESBDZVHMJ-OYRHEFFESA-N 1 1 473.687 3.491 20 0 JGADMO Cc1cccc2c1CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC[N@H+]1CCC[C@H](C)C1)C2 ZINC001304516927 1067592884 /nfs/dbraw/zinc/59/28/84/1067592884.db2.gz RLSIUWGLKVXFEV-FPOVZHCZSA-N 1 1 488.702 3.272 20 0 JGADMO Cc1cccc(OCCn2c(Cc3ccncc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304517903 1067593375 /nfs/dbraw/zinc/59/33/75/1067593375.db2.gz PBEBLCDHHHPGNR-SZPZYZBQSA-N 1 1 464.614 3.197 20 0 JGADMO Cc1cccc(OCCn2c(Cc3ccncc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304517903 1067593379 /nfs/dbraw/zinc/59/33/79/1067593379.db2.gz PBEBLCDHHHPGNR-SZPZYZBQSA-N 1 1 464.614 3.197 20 0 JGADMO CC(C)CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001303056993 1067595249 /nfs/dbraw/zinc/59/52/49/1067595249.db2.gz AVSZLYZZQBQCIE-LJQANCHMSA-N 1 1 451.681 3.460 20 0 JGADMO CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303067936 1067602627 /nfs/dbraw/zinc/60/26/27/1067602627.db2.gz JTANDBWRUBDKCM-UGKGYDQZSA-N 1 1 472.609 3.346 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304532917 1067603976 /nfs/dbraw/zinc/60/39/76/1067603976.db2.gz AHKDANKBFTUWCP-FGZHOGPDSA-N 1 1 482.673 3.353 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304534880 1067605398 /nfs/dbraw/zinc/60/53/98/1067605398.db2.gz QQJLFABDEXQLHC-FNZWTVRRSA-N 1 1 484.645 3.156 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCCCS(C)(=O)=O ZINC001304537184 1067608762 /nfs/dbraw/zinc/60/87/62/1067608762.db2.gz OBAVXCKQZFJRCR-NRFANRHFSA-N 1 1 489.686 3.158 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304539814 1067610891 /nfs/dbraw/zinc/61/08/91/1067610891.db2.gz MVCYYAIYRUIVHJ-NRFANRHFSA-N 1 1 497.688 3.383 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304539814 1067610896 /nfs/dbraw/zinc/61/08/96/1067610896.db2.gz MVCYYAIYRUIVHJ-NRFANRHFSA-N 1 1 497.688 3.383 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304539814 1067610898 /nfs/dbraw/zinc/61/08/98/1067610898.db2.gz MVCYYAIYRUIVHJ-NRFANRHFSA-N 1 1 497.688 3.383 20 0 JGADMO O=C(Cn1c(COc2ccccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1)NCC(F)(F)F ZINC001303080007 1067613720 /nfs/dbraw/zinc/61/37/20/1067613720.db2.gz TVUWXTNVECOZSJ-UHFFFAOYSA-N 1 1 498.525 3.129 20 0 JGADMO O=C(NCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC(F)(F)F)c1cccs1 ZINC001303088749 1067623617 /nfs/dbraw/zinc/62/36/17/1067623617.db2.gz BVIUSVPMMMDTGB-UHFFFAOYSA-N 1 1 470.546 3.216 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOC(C)(C)C ZINC001304558743 1067627540 /nfs/dbraw/zinc/62/75/40/1067627540.db2.gz FHBYHVQDVKVDIW-UHFFFAOYSA-N 1 1 482.673 3.127 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOC(C)(C)C ZINC001304558743 1067627542 /nfs/dbraw/zinc/62/75/42/1067627542.db2.gz FHBYHVQDVKVDIW-UHFFFAOYSA-N 1 1 482.673 3.127 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCSC(C)C ZINC001304559895 1067629122 /nfs/dbraw/zinc/62/91/22/1067629122.db2.gz OQUNHVOQUIJKQF-JOCHJYFZSA-N 1 1 470.687 3.062 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001304560335 1067629912 /nfs/dbraw/zinc/62/99/12/1067629912.db2.gz SDLJDZOPVSZOET-UHFFFAOYSA-N 1 1 465.646 3.069 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001304560326 1067629923 /nfs/dbraw/zinc/62/99/23/1067629923.db2.gz RTIMRQKNTXERTL-GGAORHGYSA-N 1 1 452.647 3.247 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CC(=O)N(C)C)cc1 ZINC001303094762 1067631411 /nfs/dbraw/zinc/63/14/11/1067631411.db2.gz JDGVSRKAOZILIT-FPOVZHCZSA-N 1 1 454.619 3.131 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001304561435 1067631511 /nfs/dbraw/zinc/63/15/11/1067631511.db2.gz ZPQHISMLEBPKSK-HXUWFJFHSA-N 1 1 494.606 3.361 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001304561435 1067631517 /nfs/dbraw/zinc/63/15/17/1067631517.db2.gz ZPQHISMLEBPKSK-HXUWFJFHSA-N 1 1 494.606 3.361 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001303099417 1067637386 /nfs/dbraw/zinc/63/73/86/1067637386.db2.gz JHABLXWXNFFJCA-NRFANRHFSA-N 1 1 489.686 3.337 20 0 JGADMO O=C1CCCN1Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCCOC(F)(F)F ZINC001303106399 1067644065 /nfs/dbraw/zinc/64/40/65/1067644065.db2.gz SBOWITWYUSWQSN-UHFFFAOYSA-N 1 1 498.525 3.178 20 0 JGADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001304578798 1067647379 /nfs/dbraw/zinc/64/73/79/1067647379.db2.gz AOSAJSRLGJIYMJ-FQEVSTJZSA-N 1 1 488.702 3.127 20 0 JGADMO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303109541 1067647739 /nfs/dbraw/zinc/64/77/39/1067647739.db2.gz JDZXKQFLFFXWMO-HXUWFJFHSA-N 1 1 455.607 3.053 20 0 JGADMO Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)c1 ZINC001304601347 1067665740 /nfs/dbraw/zinc/66/57/40/1067665740.db2.gz WXRWUDPUWMULDR-UHFFFAOYSA-N 1 1 457.667 3.399 20 0 JGADMO Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)c1 ZINC001304601347 1067665745 /nfs/dbraw/zinc/66/57/45/1067665745.db2.gz WXRWUDPUWMULDR-UHFFFAOYSA-N 1 1 457.667 3.399 20 0 JGADMO Cc1cnc([C@H](C)Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)s1 ZINC001304607834 1067675201 /nfs/dbraw/zinc/67/52/01/1067675201.db2.gz HASCRBSXPHXCDE-GOSISDBHSA-N 1 1 459.664 3.105 20 0 JGADMO Cc1cnc([C@H](C)Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)s1 ZINC001304607834 1067675203 /nfs/dbraw/zinc/67/52/03/1067675203.db2.gz HASCRBSXPHXCDE-GOSISDBHSA-N 1 1 459.664 3.105 20 0 JGADMO O[C@H](C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC(F)(F)F)CC1)c1ccccc1 ZINC001303135471 1067675995 /nfs/dbraw/zinc/67/59/95/1067675995.db2.gz IAEAPDNKFLSNIB-UXHICEINSA-N 1 1 483.535 3.302 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303142980 1067681438 /nfs/dbraw/zinc/68/14/38/1067681438.db2.gz VNRTUVPQRZCLMB-FQEVSTJZSA-N 1 1 477.698 3.468 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303142980 1067681442 /nfs/dbraw/zinc/68/14/42/1067681442.db2.gz VNRTUVPQRZCLMB-FQEVSTJZSA-N 1 1 477.698 3.468 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303142980 1067681449 /nfs/dbraw/zinc/68/14/49/1067681449.db2.gz VNRTUVPQRZCLMB-FQEVSTJZSA-N 1 1 477.698 3.468 20 0 JGADMO OCC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303143372 1067682278 /nfs/dbraw/zinc/68/22/78/1067682278.db2.gz DROCQKSATNISMB-UHFFFAOYSA-N 1 1 464.383 3.317 20 0 JGADMO Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001304614932 1067682692 /nfs/dbraw/zinc/68/26/92/1067682692.db2.gz WEYUJJNVMOKFIU-UHFFFAOYSA-N 1 1 450.587 3.387 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001303144196 1067683283 /nfs/dbraw/zinc/68/32/83/1067683283.db2.gz NJIHEYZBRAKRCW-UYAOXDASSA-N 1 1 466.552 3.280 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC=C(Br)C1 ZINC001303153278 1067691046 /nfs/dbraw/zinc/69/10/46/1067691046.db2.gz WMAMLEYSMOAOAD-FQEVSTJZSA-N 1 1 478.410 3.344 20 0 JGADMO CC(C)CN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC001303153881 1067691612 /nfs/dbraw/zinc/69/16/12/1067691612.db2.gz IOOAZLZIVRBFQX-UHFFFAOYSA-N 1 1 491.706 3.220 20 0 JGADMO CC(C)CN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC001303153881 1067691615 /nfs/dbraw/zinc/69/16/15/1067691615.db2.gz IOOAZLZIVRBFQX-UHFFFAOYSA-N 1 1 491.706 3.220 20 0 JGADMO OCCN(Cc1cc(Br)ccc1F)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CC=CCC1 ZINC001303161023 1067697366 /nfs/dbraw/zinc/69/73/66/1067697366.db2.gz XRCDREUUFAGMGV-HXUWFJFHSA-N 1 1 494.409 3.292 20 0 JGADMO Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304629275 1067699865 /nfs/dbraw/zinc/69/98/65/1067699865.db2.gz BFKHDSUYIIPUAU-BHIYHBOVSA-N 1 1 465.689 3.307 20 0 JGADMO CC(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001303162567 1067700455 /nfs/dbraw/zinc/70/04/55/1067700455.db2.gz LFPBDPIQRQXNNY-UHFFFAOYSA-N 1 1 461.412 3.138 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001303172430 1067705520 /nfs/dbraw/zinc/70/55/20/1067705520.db2.gz GJLRUVFVLNAPTG-VXKWHMMOSA-N 1 1 498.720 3.425 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCOCC2)C1 ZINC001303172511 1067705910 /nfs/dbraw/zinc/70/59/10/1067705910.db2.gz IDIMNKGQQZFVME-QGZVFWFLSA-N 1 1 465.440 3.251 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3ccccc3)C2)C1 ZINC001303172545 1067706131 /nfs/dbraw/zinc/70/61/31/1067706131.db2.gz IVKVBUXPPXBPSE-GGAORHGYSA-N 1 1 468.646 3.362 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(F)(F)F)C1 ZINC001303174650 1067708025 /nfs/dbraw/zinc/70/80/25/1067708025.db2.gz ZZDUXRDIGPPMQT-MRXNPFEDSA-N 1 1 453.513 3.292 20 0 JGADMO CC(C)CN1C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)[N@H+]3CCC[C@H](C)C3)CCN2C1=O ZINC001303176493 1067709263 /nfs/dbraw/zinc/70/92/63/1067709263.db2.gz OYONUAVXTGLTBI-HBMCJLEFSA-N 1 1 459.683 3.278 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303176685 1067709840 /nfs/dbraw/zinc/70/98/40/1067709840.db2.gz DWMYXGWZUKPPFO-OTWHNJEPSA-N 1 1 491.624 3.327 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(CO)CC2)C1 ZINC001303177723 1067710510 /nfs/dbraw/zinc/71/05/10/1067710510.db2.gz HWYYYIZCQXVASO-QHCPKHFHSA-N 1 1 455.647 3.476 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303178164 1067710937 /nfs/dbraw/zinc/71/09/37/1067710937.db2.gz JRXJAIUIRNUDQW-LEWJYISDSA-N 1 1 479.716 3.312 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001303178162 1067710955 /nfs/dbraw/zinc/71/09/55/1067710955.db2.gz JQPKEEPDDAQOAM-VXKWHMMOSA-N 1 1 496.766 3.343 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001303178317 1067711106 /nfs/dbraw/zinc/71/11/06/1067711106.db2.gz KYQKVMFIOPAYOU-XPWALMASSA-N 1 1 474.694 3.486 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001303178448 1067711122 /nfs/dbraw/zinc/71/11/22/1067711122.db2.gz LDBRWHRWJKHNMG-VXKWHMMOSA-N 1 1 460.667 3.370 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001303178787 1067712513 /nfs/dbraw/zinc/71/25/13/1067712513.db2.gz VWGSECZDDNZDIU-LJQANCHMSA-N 1 1 482.658 3.068 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C(C)C)C2)C1 ZINC001303179326 1067712763 /nfs/dbraw/zinc/71/27/63/1067712763.db2.gz UHZTUEZWXHWMHY-LEWJYISDSA-N 1 1 488.702 3.499 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)C1 ZINC001303179422 1067713201 /nfs/dbraw/zinc/71/32/01/1067713201.db2.gz VPHWVDSXILONDF-PMACEKPBSA-N 1 1 451.681 3.317 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001303179374 1067713398 /nfs/dbraw/zinc/71/33/98/1067713398.db2.gz UWGMXTJGHBTUEB-ADYITMSISA-N 1 1 474.694 3.232 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001303179640 1067713637 /nfs/dbraw/zinc/71/36/37/1067713637.db2.gz XOWSFTWYOQBXJN-PMACEKPBSA-N 1 1 465.646 3.418 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001303179894 1067713648 /nfs/dbraw/zinc/71/36/48/1067713648.db2.gz ZTYHCTRCJZSSDK-HXUWFJFHSA-N 1 1 480.078 3.125 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001303179642 1067713798 /nfs/dbraw/zinc/71/37/98/1067713798.db2.gz XOWSFTWYOQBXJN-VQTJNVASSA-N 1 1 465.646 3.418 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303179598 1067713832 /nfs/dbraw/zinc/71/38/32/1067713832.db2.gz WUSWFIUBTWUGDG-FQEVSTJZSA-N 1 1 459.038 3.169 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1=O ZINC001303188341 1067722343 /nfs/dbraw/zinc/72/23/43/1067722343.db2.gz HPANRASBSQKOSR-PMACEKPBSA-N 1 1 455.651 3.477 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1=O ZINC001303192607 1067727100 /nfs/dbraw/zinc/72/71/00/1067727100.db2.gz WRROGCXAQWQAAQ-REWPJTCUSA-N 1 1 486.636 3.484 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)cs1 ZINC001304661205 1067728628 /nfs/dbraw/zinc/72/86/28/1067728628.db2.gz CFUZVPLATWNFOT-VWLOTQADSA-N 1 1 481.670 3.224 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1=O ZINC001303196046 1067729514 /nfs/dbraw/zinc/72/95/14/1067729514.db2.gz OCTRLNFGXGFHNA-TZRRMPRUSA-N 1 1 496.700 3.256 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2nnc(C)s2)cs1 ZINC001304665240 1067731956 /nfs/dbraw/zinc/73/19/56/1067731956.db2.gz CMYYZWGZDVXBDF-UHFFFAOYSA-N 1 1 460.677 3.399 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@@H+](C)Cc2ccccc2)cs1 ZINC001304669699 1067738228 /nfs/dbraw/zinc/73/82/28/1067738228.db2.gz ILNFXKSAXLRUOC-HXUWFJFHSA-N 1 1 495.697 3.459 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304670138 1067739007 /nfs/dbraw/zinc/73/90/07/1067739007.db2.gz NRODYARQRFCJQF-IEBWSBKVSA-N 1 1 473.691 3.236 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H]2CCC[N@H+]2CCCO)cs1 ZINC001304670228 1067739295 /nfs/dbraw/zinc/73/92/95/1067739295.db2.gz OGZRXOSJIJQHLE-FUHWJXTLSA-N 1 1 472.581 3.259 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001303203985 1067739980 /nfs/dbraw/zinc/73/99/80/1067739980.db2.gz IXYXZOJKJQQEFA-VWLOTQADSA-N 1 1 483.705 3.177 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001303203985 1067739986 /nfs/dbraw/zinc/73/99/86/1067739986.db2.gz IXYXZOJKJQQEFA-VWLOTQADSA-N 1 1 483.705 3.177 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001303204023 1067740072 /nfs/dbraw/zinc/74/00/72/1067740072.db2.gz DNGOOIXFYIFINY-GGAORHGYSA-N 1 1 497.688 3.074 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303204216 1067740545 /nfs/dbraw/zinc/74/05/45/1067740545.db2.gz LNQZDFCRXHZBFN-VQTJNVASSA-N 1 1 466.552 3.399 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(c4ccccn4)CC3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001304671838 1067741059 /nfs/dbraw/zinc/74/10/59/1067741059.db2.gz YKVGRGTWUALDCV-UHFFFAOYSA-N 1 1 454.648 3.086 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001303204236 1067741107 /nfs/dbraw/zinc/74/11/07/1067741107.db2.gz GFKGTONZDDZHKZ-NRFANRHFSA-N 1 1 464.618 3.247 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C(C)C)CC2)C1 ZINC001303204476 1067741242 /nfs/dbraw/zinc/74/12/42/1067741242.db2.gz MOQYDYFSHLNKFG-NRFANRHFSA-N 1 1 488.702 3.499 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001303204480 1067741290 /nfs/dbraw/zinc/74/12/90/1067741290.db2.gz MSFRJASTUKYIEW-JOCHJYFZSA-N 1 1 460.692 3.254 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N(C)CCN(C)c2ccccc2)C1 ZINC001303204884 1067741810 /nfs/dbraw/zinc/74/18/10/1067741810.db2.gz MYDCNNCVFRABDF-HSZRJFAPSA-N 1 1 463.630 3.270 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCOCC2)C1 ZINC001303205040 1067742243 /nfs/dbraw/zinc/74/22/43/1067742243.db2.gz PRNNOQXWOUUSGD-LJQANCHMSA-N 1 1 466.051 3.417 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001304673252 1067742879 /nfs/dbraw/zinc/74/28/79/1067742879.db2.gz OCBHNEQVFHYETA-NSHGMRRFSA-N 1 1 473.691 3.094 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001303205403 1067743046 /nfs/dbraw/zinc/74/30/46/1067743046.db2.gz QVVKWLCUNODRAF-TZIWHRDSSA-N 1 1 476.666 3.348 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CC(F)(F)Br)cs1 ZINC001304673944 1067743889 /nfs/dbraw/zinc/74/38/89/1067743889.db2.gz GIEPDYHGIIVNIB-CQSZACIVSA-N 1 1 461.380 3.296 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)C2)C1 ZINC001303206492 1067744120 /nfs/dbraw/zinc/74/41/20/1067744120.db2.gz SYJDKPRXYRKLTO-OAQYLSRUSA-N 1 1 462.038 3.494 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCC([C@](C)(O)C(F)(F)F)CC3)nnc2C(C)(C)C)C1 ZINC001303207331 1067744160 /nfs/dbraw/zinc/74/41/60/1067744160.db2.gz UKAVMIRSQAYYPN-AVRDEDQJSA-N 1 1 475.600 3.462 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)nnc2C(C)(C)C)C1 ZINC001303206574 1067744188 /nfs/dbraw/zinc/74/41/88/1067744188.db2.gz UEHYVRSSSZZAOB-JTHBVZDNSA-N 1 1 488.721 3.407 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCSC[C@@H]2C)C1 ZINC001303206637 1067744214 /nfs/dbraw/zinc/74/42/14/1067744214.db2.gz VFWWLCVXBXYKCP-WMZOPIPTSA-N 1 1 451.040 3.292 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303206934 1067744556 /nfs/dbraw/zinc/74/45/56/1067744556.db2.gz WWNQIFIKMMMOID-RTWAWAEBSA-N 1 1 499.660 3.048 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303206932 1067744778 /nfs/dbraw/zinc/74/47/78/1067744778.db2.gz WWNQIFIKMMMOID-LEWJYISDSA-N 1 1 499.660 3.048 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC001303207600 1067745432 /nfs/dbraw/zinc/74/54/32/1067745432.db2.gz ZZYLHGJGLPDFLS-SFHVURJKSA-N 1 1 477.535 3.089 20 0 JGADMO CC(C)COC(=O)N1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001303210590 1067748471 /nfs/dbraw/zinc/74/84/71/1067748471.db2.gz OEGKPJXMBWPXOS-JOCHJYFZSA-N 1 1 483.661 3.301 20 0 JGADMO Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)C2)no1 ZINC001304676997 1067749086 /nfs/dbraw/zinc/74/90/86/1067749086.db2.gz NGJQHLBPQGIJAR-KNQAVFIVSA-N 1 1 494.644 3.087 20 0 JGADMO C[C@@H]1[C@H](C(=O)NC2(c3ccc(Br)cc3)CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC001303223127 1067759608 /nfs/dbraw/zinc/75/96/08/1067759608.db2.gz BEVGDZWGIXTRNJ-RHSMWYFYSA-N 1 1 452.393 3.352 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001304691357 1067764772 /nfs/dbraw/zinc/76/47/72/1067764772.db2.gz WRIHKGMWXXQBCX-OYHNWAKOSA-N 1 1 460.579 3.025 20 0 JGADMO CC(C)COCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303232965 1067766223 /nfs/dbraw/zinc/76/62/23/1067766223.db2.gz KTELLIDLVSXCCX-FQEVSTJZSA-N 1 1 478.435 3.291 20 0 JGADMO CC(C)COCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303232965 1067766231 /nfs/dbraw/zinc/76/62/31/1067766231.db2.gz KTELLIDLVSXCCX-FQEVSTJZSA-N 1 1 478.435 3.291 20 0 JGADMO CC(C)COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001303234783 1067766998 /nfs/dbraw/zinc/76/69/98/1067766998.db2.gz GUTIEUCTVYPVHI-AZUAARDMSA-N 1 1 460.648 3.237 20 0 JGADMO Cc1ncc(CN2CCN(c3nnc(Cc4ccncc4)n3CCC[N@H+](C)C(C)C)CC2)s1 ZINC001304699330 1067769869 /nfs/dbraw/zinc/76/98/69/1067769869.db2.gz FVYBWQFTILIHMJ-UHFFFAOYSA-N 1 1 468.675 3.081 20 0 JGADMO Cc1nccc(N2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC001304701733 1067772761 /nfs/dbraw/zinc/77/27/61/1067772761.db2.gz JUGMDMOMSUYNFW-OAQYLSRUSA-N 1 1 462.646 3.422 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC(N)=O)cn1 ZINC001304701822 1067773146 /nfs/dbraw/zinc/77/31/46/1067773146.db2.gz ORONXINJZAYZOT-MRXNPFEDSA-N 1 1 478.988 3.160 20 0 JGADMO CC(C)CSCCn1c(-c2cnn(C)c2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001303245590 1067773443 /nfs/dbraw/zinc/77/34/43/1067773443.db2.gz FGNGCDCHSOXLOC-UHFFFAOYSA-N 1 1 474.723 3.063 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001304703133 1067775330 /nfs/dbraw/zinc/77/53/30/1067775330.db2.gz LYMBDSZIQXJZPS-HXUWFJFHSA-N 1 1 453.566 3.085 20 0 JGADMO Cc1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CCCCn1cc[nH+]c1C ZINC001304703073 1067775380 /nfs/dbraw/zinc/77/53/80/1067775380.db2.gz BTBAXPDWNXWJGJ-UHFFFAOYSA-N 1 1 459.957 3.327 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCCO2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001304704028 1067776317 /nfs/dbraw/zinc/77/63/17/1067776317.db2.gz WRAKJFZFDYOVKM-VWPQPMDRSA-N 1 1 459.639 3.050 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001304703846 1067776549 /nfs/dbraw/zinc/77/65/49/1067776549.db2.gz KBOGMTNTHMELKB-KCZVDYSFSA-N 1 1 471.650 3.274 20 0 JGADMO CC(C)CSCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001303250461 1067776752 /nfs/dbraw/zinc/77/67/52/1067776752.db2.gz SSDVGMUFAFGZPQ-UHFFFAOYSA-N 1 1 462.689 3.173 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001304704250 1067776948 /nfs/dbraw/zinc/77/69/48/1067776948.db2.gz MENHQIMUPCMVOL-UHFFFAOYSA-N 1 1 452.607 3.342 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001304704254 1067776977 /nfs/dbraw/zinc/77/69/77/1067776977.db2.gz MJRHGGDZXPGWLW-MRXNPFEDSA-N 1 1 492.049 3.090 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001304704855 1067777629 /nfs/dbraw/zinc/77/76/29/1067777629.db2.gz JUOSBYCEMVCGMK-ROUUACIJSA-N 1 1 456.616 3.426 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1csc(Br)c1 ZINC001304704941 1067777794 /nfs/dbraw/zinc/77/77/94/1067777794.db2.gz SZCOABUBCNQNAH-UHFFFAOYSA-N 1 1 480.436 3.472 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)C1 ZINC001304705364 1067778296 /nfs/dbraw/zinc/77/82/96/1067778296.db2.gz SLRUPAXRLWLSNW-QGZVFWFLSA-N 1 1 474.656 3.276 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001304705996 1067778574 /nfs/dbraw/zinc/77/85/74/1067778574.db2.gz ZYGUONCFQVKEHD-UHFFFAOYSA-N 1 1 490.534 3.220 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001304706035 1067778649 /nfs/dbraw/zinc/77/86/49/1067778649.db2.gz XVHLEGAVKQZIEU-HZPDHXFCSA-N 1 1 465.023 3.452 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001304707141 1067779379 /nfs/dbraw/zinc/77/93/79/1067779379.db2.gz GOGDPBNYVFFZNB-YSHGAJCASA-N 1 1 461.586 3.438 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 ZINC001303254572 1067779570 /nfs/dbraw/zinc/77/95/70/1067779570.db2.gz BGZHWRDRHPEWPM-QUENFVSXSA-N 1 1 477.650 3.253 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC(C)(C)C1 ZINC001303254597 1067780109 /nfs/dbraw/zinc/78/01/09/1067780109.db2.gz CBFYVFGJPCMIIW-UHFFFAOYSA-N 1 1 477.613 3.429 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303255498 1067781578 /nfs/dbraw/zinc/78/15/78/1067781578.db2.gz IFHGFMOONHBQLQ-UHFFFAOYSA-N 1 1 468.621 3.353 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)F)C1 ZINC001304710940 1067781881 /nfs/dbraw/zinc/78/18/81/1067781881.db2.gz MZCUTSSMVCHTTR-ZWKOTPCHSA-N 1 1 495.575 3.273 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)F)C1 ZINC001304710936 1067781904 /nfs/dbraw/zinc/78/19/04/1067781904.db2.gz MZCUTSSMVCHTTR-ROUUACIJSA-N 1 1 495.575 3.273 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001303255784 1067782116 /nfs/dbraw/zinc/78/21/16/1067782116.db2.gz BXYHXODARGMIBU-JOCHJYFZSA-N 1 1 459.660 3.469 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2cccnc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001304711087 1067782268 /nfs/dbraw/zinc/78/22/68/1067782268.db2.gz NRKQFBYXMNPPOY-OAQYLSRUSA-N 1 1 480.617 3.162 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(C3CCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001303255904 1067782544 /nfs/dbraw/zinc/78/25/44/1067782544.db2.gz SAYRKEBSZKPQQR-QHCPKHFHSA-N 1 1 474.694 3.256 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001303255803 1067782596 /nfs/dbraw/zinc/78/25/96/1067782596.db2.gz CONLSWNBOGEBEZ-JOCHJYFZSA-N 1 1 493.631 3.380 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001304712941 1067784419 /nfs/dbraw/zinc/78/44/19/1067784419.db2.gz CKSPRQGREWPPEJ-LMMKCTJWSA-N 1 1 459.595 3.169 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001303257915 1067784558 /nfs/dbraw/zinc/78/45/58/1067784558.db2.gz JLDNNTKEBXADJL-OALUTQOASA-N 1 1 473.634 3.172 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CC1 ZINC001303258741 1067785412 /nfs/dbraw/zinc/78/54/12/1067785412.db2.gz OOKQVXQOGBLQDE-QFIPXVFZSA-N 1 1 495.734 3.476 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001303258754 1067785581 /nfs/dbraw/zinc/78/55/81/1067785581.db2.gz OYHDKASUUZRFEO-DEOSSOPVSA-N 1 1 482.673 3.088 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001304714085 1067785546 /nfs/dbraw/zinc/78/55/46/1067785546.db2.gz PEFJXBNYEGZQDN-LJQANCHMSA-N 1 1 466.590 3.286 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001304714321 1067785901 /nfs/dbraw/zinc/78/59/01/1067785901.db2.gz YXFDHDJSTDLBCD-OAQYLSRUSA-N 1 1 487.649 3.459 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001304714944 1067786531 /nfs/dbraw/zinc/78/65/31/1067786531.db2.gz KARVLWADSYPDIG-IYBDPMFKSA-N 1 1 453.538 3.345 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001304715881 1067787204 /nfs/dbraw/zinc/78/72/04/1067787204.db2.gz UGQNIKIPGYURJH-JOCHJYFZSA-N 1 1 478.645 3.068 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001304716162 1067787535 /nfs/dbraw/zinc/78/75/35/1067787535.db2.gz PBQOJJSJCRKHPJ-MRXNPFEDSA-N 1 1 481.498 3.274 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001303261518 1067787625 /nfs/dbraw/zinc/78/76/25/1067787625.db2.gz LKUFECROWBGMOX-PKOBYXMFSA-N 1 1 475.435 3.153 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001303261567 1067788129 /nfs/dbraw/zinc/78/81/29/1067788129.db2.gz NJKYFTIHGHWIHP-UHFFFAOYSA-N 1 1 452.445 3.296 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001303261567 1067788135 /nfs/dbraw/zinc/78/81/35/1067788135.db2.gz NJKYFTIHGHWIHP-UHFFFAOYSA-N 1 1 452.445 3.296 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001304716546 1067788319 /nfs/dbraw/zinc/78/83/19/1067788319.db2.gz UUPYRPUHBTYBQH-OAQYLSRUSA-N 1 1 478.384 3.071 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC(N)=O)CC1 ZINC001303261706 1067788516 /nfs/dbraw/zinc/78/85/16/1067788516.db2.gz SVDWGHFFBSQYFR-UHFFFAOYSA-N 1 1 464.618 3.157 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001303261693 1067788556 /nfs/dbraw/zinc/78/85/56/1067788556.db2.gz SAOBMMRPBMKFNW-IBGZPJMESA-N 1 1 475.435 3.249 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2F)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001303262234 1067789537 /nfs/dbraw/zinc/78/95/37/1067789537.db2.gz BRBWLUHKGPMFAP-UHFFFAOYSA-N 1 1 496.635 3.194 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001303262192 1067789557 /nfs/dbraw/zinc/78/95/57/1067789557.db2.gz AHJLDLDHRQOAKZ-UHFFFAOYSA-N 1 1 497.047 3.149 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001303262507 1067789729 /nfs/dbraw/zinc/78/97/29/1067789729.db2.gz FFEYIQNLDROGHM-NRFANRHFSA-N 1 1 495.093 3.333 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001303264065 1067791522 /nfs/dbraw/zinc/79/15/22/1067791522.db2.gz AHYFQSJQLTXJFP-YKSBVNFPSA-N 1 1 462.038 3.350 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304720278 1067791518 /nfs/dbraw/zinc/79/15/18/1067791518.db2.gz OSZBEHMOMHMDLZ-MRXNPFEDSA-N 1 1 458.010 3.306 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001303266370 1067793208 /nfs/dbraw/zinc/79/32/08/1067793208.db2.gz PPSKONJLKKDQIV-VWLOTQADSA-N 1 1 458.626 3.039 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001304722009 1067793277 /nfs/dbraw/zinc/79/32/77/1067793277.db2.gz WUCMDUMKZFXWSJ-JMUQELJHSA-N 1 1 487.693 3.152 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001303266414 1067793790 /nfs/dbraw/zinc/79/37/90/1067793790.db2.gz PZGRMDVWWRWJTL-WOJBJXKFSA-N 1 1 461.680 3.242 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001303267208 1067794173 /nfs/dbraw/zinc/79/41/73/1067794173.db2.gz ZMCHOTZKPVKUPF-QHCPKHFHSA-N 1 1 468.646 3.255 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001303266657 1067794237 /nfs/dbraw/zinc/79/42/37/1067794237.db2.gz SPHACWQGXHYFDC-SFHVURJKSA-N 1 1 498.491 3.309 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001303268236 1067795737 /nfs/dbraw/zinc/79/57/37/1067795737.db2.gz OKUAWBLIBRDRLV-UHFFFAOYSA-N 1 1 475.641 3.393 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001303268513 1067796272 /nfs/dbraw/zinc/79/62/72/1067796272.db2.gz PUFGBPZUEXDAKY-OAQYLSRUSA-N 1 1 471.650 3.488 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001304724905 1067797005 /nfs/dbraw/zinc/79/70/05/1067797005.db2.gz DVBPCMSPSXACIR-MRXNPFEDSA-N 1 1 458.010 3.380 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2CCOc2ccccc2C(C)C)CC1 ZINC001304725560 1067797565 /nfs/dbraw/zinc/79/75/65/1067797565.db2.gz FCQBDKXLMQEZNB-UHFFFAOYSA-N 1 1 451.619 3.461 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001303269269 1067797869 /nfs/dbraw/zinc/79/78/69/1067797869.db2.gz WJGOJNWZPWWZIG-UHFFFAOYSA-N 1 1 493.443 3.225 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001303269217 1067797882 /nfs/dbraw/zinc/79/78/82/1067797882.db2.gz UQQCMFHTMVGTCL-UHFFFAOYSA-N 1 1 455.513 3.107 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001303269239 1067797917 /nfs/dbraw/zinc/79/79/17/1067797917.db2.gz VBWKGUXWIZNTST-CVEARBPZSA-N 1 1 451.413 3.239 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCCCC2)CC1 ZINC001304725949 1067798367 /nfs/dbraw/zinc/79/83/67/1067798367.db2.gz MJPXMFAGJOKPQY-UHFFFAOYSA-N 1 1 457.667 3.234 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cccs1 ZINC001303269804 1067798729 /nfs/dbraw/zinc/79/87/29/1067798729.db2.gz BBPHOMYSEDKDBT-UHFFFAOYSA-N 1 1 476.672 3.234 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001303271001 1067799639 /nfs/dbraw/zinc/79/96/39/1067799639.db2.gz OPSGEUHMXIDWJA-UHFFFAOYSA-N 1 1 458.973 3.194 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001303271370 1067800220 /nfs/dbraw/zinc/80/02/20/1067800220.db2.gz NNWISOSYLRILOJ-UHFFFAOYSA-N 1 1 489.462 3.497 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)s1 ZINC001303271663 1067800521 /nfs/dbraw/zinc/80/05/21/1067800521.db2.gz QVZXUPUVBKVKQH-UHFFFAOYSA-N 1 1 452.426 3.479 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1 ZINC001303271740 1067800737 /nfs/dbraw/zinc/80/07/37/1067800737.db2.gz TXBQBGAABQGIAO-ZDUSSCGKSA-N 1 1 469.815 3.013 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001303272177 1067801138 /nfs/dbraw/zinc/80/11/38/1067801138.db2.gz ZEQZHETWNWRBGA-GOSISDBHSA-N 1 1 462.042 3.465 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CCCO)CC1 ZINC001303274885 1067802301 /nfs/dbraw/zinc/80/23/01/1067802301.db2.gz NFNVGRRDTFMOAS-UHFFFAOYSA-N 1 1 451.619 3.460 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275109 1067802374 /nfs/dbraw/zinc/80/23/74/1067802374.db2.gz SLCPFEOOXBCOQH-IFMALSPDSA-N 1 1 454.619 3.349 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001303275409 1067802734 /nfs/dbraw/zinc/80/27/34/1067802734.db2.gz CBTZJQNCVGLTET-NJDFBWEVSA-N 1 1 490.693 3.330 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303275594 1067802864 /nfs/dbraw/zinc/80/28/64/1067802864.db2.gz DZOYUKVOPAPYLV-XMMPIXPASA-N 1 1 472.037 3.348 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303275593 1067802900 /nfs/dbraw/zinc/80/29/00/1067802900.db2.gz DZOYUKVOPAPYLV-DEOSSOPVSA-N 1 1 472.037 3.348 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001303275816 1067803507 /nfs/dbraw/zinc/80/35/07/1067803507.db2.gz HRBOANKIMWYOFU-UHFFFAOYSA-N 1 1 452.582 3.219 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001303276316 1067803967 /nfs/dbraw/zinc/80/39/67/1067803967.db2.gz FZPCDUUZDIAYMY-QFIPXVFZSA-N 1 1 480.592 3.144 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001303276317 1067804109 /nfs/dbraw/zinc/80/41/09/1067804109.db2.gz GBDKJMIMNGHDQN-UHFFFAOYSA-N 1 1 489.668 3.276 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 ZINC001303277941 1067805129 /nfs/dbraw/zinc/80/51/29/1067805129.db2.gz XCBJFAOZTBXDOY-XLIONFOSSA-N 1 1 478.435 3.463 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001303278216 1067806060 /nfs/dbraw/zinc/80/60/60/1067806060.db2.gz ZDIKKDIDPPDKIL-QFIPXVFZSA-N 1 1 461.054 3.164 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001303278473 1067806336 /nfs/dbraw/zinc/80/63/36/1067806336.db2.gz GGUXMVFBHAODJT-UHFFFAOYSA-N 1 1 472.531 3.411 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001303278823 1067807714 /nfs/dbraw/zinc/80/77/14/1067807714.db2.gz RCXKGSQIBRFNEB-UHFFFAOYSA-N 1 1 463.051 3.375 20 0 JGADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(CCOc4ccccc4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001304734884 1067809042 /nfs/dbraw/zinc/80/90/42/1067809042.db2.gz DXRFLHJRUBEJQV-QFIPXVFZSA-N 1 1 466.634 3.290 20 0 JGADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303282041 1067809943 /nfs/dbraw/zinc/80/99/43/1067809943.db2.gz PGKMXCXUNPXLSJ-IEBWSBKVSA-N 1 1 463.623 3.217 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001304737916 1067812250 /nfs/dbraw/zinc/81/22/50/1067812250.db2.gz TUDCEPUSHGAOAR-RXVVDRJESA-N 1 1 469.609 3.445 20 0 JGADMO CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303286123 1067812406 /nfs/dbraw/zinc/81/24/06/1067812406.db2.gz ABAXXNGWPPYXPT-DLBZAZTESA-N 1 1 451.662 3.139 20 0 JGADMO CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303287066 1067813135 /nfs/dbraw/zinc/81/31/35/1067813135.db2.gz GNBXSTSYKDMYRU-YADHBBJMSA-N 1 1 472.634 3.470 20 0 JGADMO CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCCO2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303287064 1067813216 /nfs/dbraw/zinc/81/32/16/1067813216.db2.gz GNBXSTSYKDMYRU-FGZHOGPDSA-N 1 1 472.634 3.470 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2=CCCCC2)n1 ZINC001304740047 1067814410 /nfs/dbraw/zinc/81/44/10/1067814410.db2.gz FKRXVGNOKGZSJS-UHFFFAOYSA-N 1 1 455.651 3.435 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCSC(F)(F)F)n1 ZINC001304740347 1067815598 /nfs/dbraw/zinc/81/55/98/1067815598.db2.gz JBYXXPNEERIWDO-UHFFFAOYSA-N 1 1 489.612 3.187 20 0 JGADMO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1)C(C)C ZINC001303291303 1067815792 /nfs/dbraw/zinc/81/57/92/1067815792.db2.gz NGYXABAJRATNLG-QFIPXVFZSA-N 1 1 455.651 3.150 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2C[C@](C)(O)C(C)C)n1 ZINC001304741164 1067817251 /nfs/dbraw/zinc/81/72/51/1067817251.db2.gz UISJGLSRBRIBIG-BVAGGSTKSA-N 1 1 465.646 3.257 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@]2(C)CCCS2)n1 ZINC001304741426 1067817827 /nfs/dbraw/zinc/81/78/27/1067817827.db2.gz RSFMSSUGMKFWSO-XMMPIXPASA-N 1 1 475.707 3.220 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2ccc(F)cc2)n1 ZINC001304741775 1067818390 /nfs/dbraw/zinc/81/83/90/1067818390.db2.gz WEWYKXGNFJCXIA-UHFFFAOYSA-N 1 1 469.609 3.122 20 0 JGADMO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1)C(C)C ZINC001303295918 1067820062 /nfs/dbraw/zinc/82/00/62/1067820062.db2.gz MBUGAJMQPPKDPJ-VWLOTQADSA-N 1 1 479.673 3.258 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2ccccc2C)n1 ZINC001304745273 1067823953 /nfs/dbraw/zinc/82/39/53/1067823953.db2.gz NTSJWWYURQVPQI-UHFFFAOYSA-N 1 1 451.619 3.043 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2ccccc2C)n1 ZINC001304745273 1067823963 /nfs/dbraw/zinc/82/39/63/1067823963.db2.gz NTSJWWYURQVPQI-UHFFFAOYSA-N 1 1 451.619 3.043 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304745760 1067825264 /nfs/dbraw/zinc/82/52/64/1067825264.db2.gz VJEPMCSMJCXUHT-IBGZPJMESA-N 1 1 455.582 3.278 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001303302126 1067826605 /nfs/dbraw/zinc/82/66/05/1067826605.db2.gz CFXNGCAXIDUVOG-RDJZCZTQSA-N 1 1 451.413 3.381 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303303941 1067829913 /nfs/dbraw/zinc/82/99/13/1067829913.db2.gz AYFOWQVXQRLUQY-SFTDATJTSA-N 1 1 451.681 3.145 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001303304567 1067831605 /nfs/dbraw/zinc/83/16/05/1067831605.db2.gz OCAFSCBOWSZGFC-QRVBRYPASA-N 1 1 465.639 3.462 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001303304713 1067832019 /nfs/dbraw/zinc/83/20/19/1067832019.db2.gz OPWFYCLUGVBBHF-CABCVRRESA-N 1 1 485.580 3.461 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001303304941 1067832410 /nfs/dbraw/zinc/83/24/10/1067832410.db2.gz LCNYXFVANHMFCE-JTHBVZDNSA-N 1 1 452.647 3.241 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)Cc4ccccc4)CC3)n2CC(C)(C)O)n1 ZINC001304752808 1067833287 /nfs/dbraw/zinc/83/32/87/1067833287.db2.gz VQGQVFOITIIACE-UHFFFAOYSA-N 1 1 465.646 3.259 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303305521 1067833291 /nfs/dbraw/zinc/83/32/91/1067833291.db2.gz UJCSTQUNUWYWRH-LJQANCHMSA-N 1 1 495.594 3.299 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303305635 1067833698 /nfs/dbraw/zinc/83/36/98/1067833698.db2.gz VJGOMUDUBGNVCU-LJQANCHMSA-N 1 1 468.067 3.124 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303305959 1067834317 /nfs/dbraw/zinc/83/43/17/1067834317.db2.gz XBBFYPXHNYIWAK-FPOVZHCZSA-N 1 1 451.681 3.460 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001303306144 1067834782 /nfs/dbraw/zinc/83/47/82/1067834782.db2.gz ZDENWPCQSWGQQX-VQTJNVASSA-N 1 1 476.666 3.396 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304753882 1067835294 /nfs/dbraw/zinc/83/52/94/1067835294.db2.gz LWCCCQNBASRYGU-VQIMIIECSA-N 1 1 483.583 3.154 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001303307673 1067835692 /nfs/dbraw/zinc/83/56/92/1067835692.db2.gz HKKSFACBVILTBE-UHFFFAOYSA-N 1 1 482.673 3.445 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(=O)N(C)C)CC1 ZINC001303308068 1067836374 /nfs/dbraw/zinc/83/63/74/1067836374.db2.gz PTEXTMBURRUFTG-UHFFFAOYSA-N 1 1 483.842 3.370 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304754538 1067836548 /nfs/dbraw/zinc/83/65/48/1067836548.db2.gz SALKISABVGCKEL-UHFFFAOYSA-N 1 1 473.666 3.034 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304754538 1067836560 /nfs/dbraw/zinc/83/65/60/1067836560.db2.gz SALKISABVGCKEL-UHFFFAOYSA-N 1 1 473.666 3.034 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CC1 ZINC001303309482 1067837221 /nfs/dbraw/zinc/83/72/21/1067837221.db2.gz BJYNKLLJXDWKLS-JOCHJYFZSA-N 1 1 459.660 3.124 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304755632 1067838478 /nfs/dbraw/zinc/83/84/78/1067838478.db2.gz DXSHAMPVKOVLMI-OAQYLSRUSA-N 1 1 488.681 3.221 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001303310534 1067838839 /nfs/dbraw/zinc/83/88/39/1067838839.db2.gz NNDSVGWUUYUZHQ-NRFANRHFSA-N 1 1 486.617 3.236 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001303310838 1067839386 /nfs/dbraw/zinc/83/93/86/1067839386.db2.gz QZXYAQFIQDLNTD-VAMGGRTRSA-N 1 1 460.667 3.380 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCO2)CC1 ZINC001303311150 1067840045 /nfs/dbraw/zinc/84/00/45/1067840045.db2.gz RZESNLSXJXOOKF-PMACEKPBSA-N 1 1 462.639 3.450 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303311137 1067840201 /nfs/dbraw/zinc/84/02/01/1067840201.db2.gz RNBPEFCQFCKYGB-UHFFFAOYSA-N 1 1 461.054 3.364 20 0 JGADMO CC(C)N1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001303314429 1067842784 /nfs/dbraw/zinc/84/27/84/1067842784.db2.gz ZBMOPEUUPVQICU-FQEVSTJZSA-N 1 1 489.709 3.406 20 0 JGADMO CC(C)N1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303314429 1067842790 /nfs/dbraw/zinc/84/27/90/1067842790.db2.gz ZBMOPEUUPVQICU-FQEVSTJZSA-N 1 1 489.709 3.406 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001303317838 1067847440 /nfs/dbraw/zinc/84/74/40/1067847440.db2.gz DCKCBABOQWJPKK-UHFFFAOYSA-N 1 1 491.725 3.386 20 0 JGADMO CC(C)N1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303318001 1067847529 /nfs/dbraw/zinc/84/75/29/1067847529.db2.gz WUSUIJQWGVLLGW-HSZRJFAPSA-N 1 1 451.594 3.236 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304761400 1067848462 /nfs/dbraw/zinc/84/84/62/1067848462.db2.gz ZTXINEYXIGSVBC-LJQANCHMSA-N 1 1 471.572 3.418 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001304764546 1067853782 /nfs/dbraw/zinc/85/37/82/1067853782.db2.gz TUJAHZHITINGDV-HSZRJFAPSA-N 1 1 473.666 3.034 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001303325509 1067854844 /nfs/dbraw/zinc/85/48/44/1067854844.db2.gz VXHBFZIAQBBSRT-WOJBJXKFSA-N 1 1 480.613 3.476 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001303325509 1067854859 /nfs/dbraw/zinc/85/48/59/1067854859.db2.gz VXHBFZIAQBBSRT-WOJBJXKFSA-N 1 1 480.613 3.476 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001303327220 1067855761 /nfs/dbraw/zinc/85/57/61/1067855761.db2.gz HGFQAYQRTTVVOO-TYPHKJRUSA-N 1 1 490.599 3.330 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCC(F)(F)F)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001303340745 1067869607 /nfs/dbraw/zinc/86/96/07/1067869607.db2.gz ZZNQVQMHAVBHEE-IBGZPJMESA-N 1 1 482.551 3.096 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOc2ccccc2F)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001303342543 1067871166 /nfs/dbraw/zinc/87/11/66/1067871166.db2.gz SJFJMCIUSMAQBF-IBGZPJMESA-N 1 1 460.598 3.191 20 0 JGADMO CC(C)NC(=O)c1nnc(N(Cc2ccccc2)CC2CCOCC2)n1CC[N@@H+]1CC=CCC1 ZINC001303343412 1067871418 /nfs/dbraw/zinc/87/14/18/1067871418.db2.gz LFYIXDGRRLKKJU-UHFFFAOYSA-N 1 1 466.630 3.111 20 0 JGADMO Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001304778161 1067873241 /nfs/dbraw/zinc/87/32/41/1067873241.db2.gz FQZCEFHBJMPXOC-UHFFFAOYSA-N 1 1 496.685 3.167 20 0 JGADMO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303347793 1067874872 /nfs/dbraw/zinc/87/48/72/1067874872.db2.gz SJAMKHLKZRPNLE-OALUTQOASA-N 1 1 460.648 3.148 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001303350454 1067877703 /nfs/dbraw/zinc/87/77/03/1067877703.db2.gz VCJTWCBDPNUONN-WMZHIEFXSA-N 1 1 468.646 3.309 20 0 JGADMO Cc1nnc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304782674 1067877779 /nfs/dbraw/zinc/87/77/79/1067877779.db2.gz GSKIUFUJRKKWDK-SHJAMOMRSA-N 1 1 491.706 3.145 20 0 JGADMO Cc1nnc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304782674 1067877790 /nfs/dbraw/zinc/87/77/90/1067877790.db2.gz GSKIUFUJRKKWDK-SHJAMOMRSA-N 1 1 491.706 3.145 20 0 JGADMO Cc1nnc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC001304783221 1067878447 /nfs/dbraw/zinc/87/84/47/1067878447.db2.gz OSBZYPJOLHMRCY-CALCHBBNSA-N 1 1 461.680 3.401 20 0 JGADMO Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304789039 1067881998 /nfs/dbraw/zinc/88/19/98/1067881998.db2.gz SNIRAMGRHFOZAD-RBUKOAKNSA-N 1 1 456.591 3.241 20 0 JGADMO Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304791168 1067882945 /nfs/dbraw/zinc/88/29/45/1067882945.db2.gz XKZFCOHDVUWIQG-UHFFFAOYSA-N 1 1 454.663 3.218 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303355202 1067883322 /nfs/dbraw/zinc/88/33/22/1067883322.db2.gz LYKSGSIWSIUCRJ-OAQYLSRUSA-N 1 1 495.672 3.028 20 0 JGADMO CC(C)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303356133 1067884175 /nfs/dbraw/zinc/88/41/75/1067884175.db2.gz ZQBWPDTUMQMOAI-CQSZACIVSA-N 1 1 461.408 3.182 20 0 JGADMO Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001304800811 1067884870 /nfs/dbraw/zinc/88/48/70/1067884870.db2.gz SZALAYNWTYUPDT-QFIPXVFZSA-N 1 1 453.679 3.355 20 0 JGADMO Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001304800811 1067884879 /nfs/dbraw/zinc/88/48/79/1067884879.db2.gz SZALAYNWTYUPDT-QFIPXVFZSA-N 1 1 453.679 3.355 20 0 JGADMO Cc1nnc(N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304804299 1067886146 /nfs/dbraw/zinc/88/61/46/1067886146.db2.gz PGHBKHZISMZBOO-HSZRJFAPSA-N 1 1 499.063 3.123 20 0 JGADMO Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001304805332 1067886555 /nfs/dbraw/zinc/88/65/55/1067886555.db2.gz SOOZOTGXULDKKH-OAHLLOKOSA-N 1 1 463.355 3.261 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001303360094 1067887541 /nfs/dbraw/zinc/88/75/41/1067887541.db2.gz LMHLZNLVRVFNKI-JOCHJYFZSA-N 1 1 468.646 3.334 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCCOC1CCOCC1 ZINC001303360176 1067888025 /nfs/dbraw/zinc/88/80/25/1067888025.db2.gz MACQLKGLPBGRRW-JOCHJYFZSA-N 1 1 498.672 3.103 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1Cc1nccs1 ZINC001303360313 1067888072 /nfs/dbraw/zinc/88/80/72/1067888072.db2.gz NLPROCQDMYGIPZ-GOSISDBHSA-N 1 1 453.616 3.022 20 0 JGADMO Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001304811842 1067888164 /nfs/dbraw/zinc/88/81/64/1067888164.db2.gz JXAYGMXNRXHJDA-WMQCIHAUSA-N 1 1 478.563 3.392 20 0 JGADMO Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001304815609 1067890643 /nfs/dbraw/zinc/89/06/43/1067890643.db2.gz FHCWIFDVVVYPKV-CYFREDJKSA-N 1 1 498.672 3.331 20 0 JGADMO COc1ccc(C[C@@](C)(CO)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001303364430 1067891856 /nfs/dbraw/zinc/89/18/56/1067891856.db2.gz RMGHXLQVYDSVCH-GJZUVCINSA-N 1 1 452.595 3.416 20 0 JGADMO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304822558 1067892565 /nfs/dbraw/zinc/89/25/65/1067892565.db2.gz QTVAYVXJLCDEIU-IBGZPJMESA-N 1 1 464.655 3.171 20 0 JGADMO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001304825259 1067894179 /nfs/dbraw/zinc/89/41/79/1067894179.db2.gz JDMOBAKFPGBLLZ-UHFFFAOYSA-N 1 1 468.694 3.302 20 0 JGADMO Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001304826046 1067894567 /nfs/dbraw/zinc/89/45/67/1067894567.db2.gz SHFMQTLTZVRZDP-UHFFFAOYSA-N 1 1 456.591 3.318 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001303367475 1067897044 /nfs/dbraw/zinc/89/70/44/1067897044.db2.gz TYKYLVPALJFNIL-NSHGMRRFSA-N 1 1 482.620 3.177 20 0 JGADMO Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304835789 1067897549 /nfs/dbraw/zinc/89/75/49/1067897549.db2.gz SGFOETWLNSBCRB-JTJHWIPRSA-N 1 1 464.655 3.215 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001303370325 1067900093 /nfs/dbraw/zinc/90/00/93/1067900093.db2.gz YCZRPDHTJLTYML-TZIWHRDSSA-N 1 1 499.660 3.040 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CCOc1ncccc1Cl ZINC001303370468 1067900455 /nfs/dbraw/zinc/90/04/55/1067900455.db2.gz ZGHPBANGJHXTCD-FQEVSTJZSA-N 1 1 498.031 3.254 20 0 JGADMO Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001304846561 1067901789 /nfs/dbraw/zinc/90/17/89/1067901789.db2.gz XAFPUOYSISNKCB-OAQYLSRUSA-N 1 1 482.526 3.342 20 0 JGADMO Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001304846561 1067901792 /nfs/dbraw/zinc/90/17/92/1067901792.db2.gz XAFPUOYSISNKCB-OAQYLSRUSA-N 1 1 482.526 3.342 20 0 JGADMO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001304851835 1067904749 /nfs/dbraw/zinc/90/47/49/1067904749.db2.gz YKDSCAIEMMRRGO-IBGZPJMESA-N 1 1 454.619 3.481 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303378643 1067908179 /nfs/dbraw/zinc/90/81/79/1067908179.db2.gz INCYVMBNCJPHTQ-DVECYGJZSA-N 1 1 456.660 3.270 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1Cc1cc(Br)cs1 ZINC001304858858 1067908790 /nfs/dbraw/zinc/90/87/90/1067908790.db2.gz KVUYXNMMXIYCIH-SFHVURJKSA-N 1 1 492.443 3.021 20 0 JGADMO Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001304858818 1067908865 /nfs/dbraw/zinc/90/88/65/1067908865.db2.gz LKPKHQVYTOYHNJ-IBGZPJMESA-N 1 1 454.516 3.274 20 0 JGADMO Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001304859374 1067909209 /nfs/dbraw/zinc/90/92/09/1067909209.db2.gz GNYNUVSOZCDOPS-GLDPYIMESA-N 1 1 461.054 3.142 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304865850 1067911560 /nfs/dbraw/zinc/91/15/60/1067911560.db2.gz HLYTUHBLGUEZED-UWJYYQICSA-N 1 1 465.545 3.267 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001304866330 1067911900 /nfs/dbraw/zinc/91/19/00/1067911900.db2.gz LMIMZLYFWXRYSM-LEWJYISDSA-N 1 1 478.435 3.164 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304869737 1067912909 /nfs/dbraw/zinc/91/29/09/1067912909.db2.gz YWSOQKKKAUQAGN-LEWJYISDSA-N 1 1 465.545 3.123 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304869740 1067912956 /nfs/dbraw/zinc/91/29/56/1067912956.db2.gz YWSOQKKKAUQAGN-NHCUHLMSSA-N 1 1 465.545 3.123 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1cccc(CO)c1 ZINC001303387821 1067916208 /nfs/dbraw/zinc/91/62/08/1067916208.db2.gz HGMZCKDZEQECBR-NFBKMPQASA-N 1 1 468.646 3.048 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875052 1067917912 /nfs/dbraw/zinc/91/79/12/1067917912.db2.gz VRCSJLHJZGQKFB-OKZBNKHCSA-N 1 1 453.591 3.294 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875052 1067917920 /nfs/dbraw/zinc/91/79/20/1067917920.db2.gz VRCSJLHJZGQKFB-OKZBNKHCSA-N 1 1 453.591 3.294 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875051 1067918007 /nfs/dbraw/zinc/91/80/07/1067918007.db2.gz VRCSJLHJZGQKFB-KURKYZTESA-N 1 1 453.591 3.294 20 0 JGADMO Cc1noc(C)c1[C@H](C)Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304875051 1067918014 /nfs/dbraw/zinc/91/80/14/1067918014.db2.gz VRCSJLHJZGQKFB-KURKYZTESA-N 1 1 453.591 3.294 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303389754 1067918757 /nfs/dbraw/zinc/91/87/57/1067918757.db2.gz WICPNODRUOVPKX-XZOQPEGZSA-N 1 1 468.646 3.191 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1ccc(O)cc1 ZINC001303390049 1067919093 /nfs/dbraw/zinc/91/90/93/1067919093.db2.gz XWMQKZNAGAWMJG-RBBKRZOGSA-N 1 1 468.646 3.455 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001303396777 1067924838 /nfs/dbraw/zinc/92/48/38/1067924838.db2.gz STDULJRHBAELRB-UHFFFAOYSA-N 1 1 469.634 3.102 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCSC(C)C ZINC001303397052 1067925690 /nfs/dbraw/zinc/92/56/90/1067925690.db2.gz BTAFXUQASIWFOE-UHFFFAOYSA-N 1 1 462.639 3.409 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303402970 1067931664 /nfs/dbraw/zinc/93/16/64/1067931664.db2.gz POWVRDUYAJYTJH-LJQANCHMSA-N 1 1 495.594 3.011 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCCNc1ccccn1 ZINC001303402823 1067931675 /nfs/dbraw/zinc/93/16/75/1067931675.db2.gz OJKMLTRTOCDRMO-LJQANCHMSA-N 1 1 482.658 3.258 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(CC(C)(C)C)n3CC3CCN(CC[NH+](C)C)CC3)CC2)n1 ZINC001304889425 1067933332 /nfs/dbraw/zinc/93/33/32/1067933332.db2.gz FPMSFSVHLMSZKL-UHFFFAOYSA-N 1 1 486.709 3.390 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCCOC1CCCC1 ZINC001303408433 1067935656 /nfs/dbraw/zinc/93/56/56/1067935656.db2.gz XFQOCWCJKUDOCJ-OAQYLSRUSA-N 1 1 468.646 3.476 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCOc1cccc(F)c1 ZINC001303410128 1067936511 /nfs/dbraw/zinc/93/65/11/1067936511.db2.gz PSAUQDVODWMTNA-UHFFFAOYSA-N 1 1 472.590 3.018 20 0 JGADMO Cc1noc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)C2)n1 ZINC001304892137 1067936815 /nfs/dbraw/zinc/93/68/15/1067936815.db2.gz PALBYBLKJOEGMT-WOJBJXKFSA-N 1 1 459.639 3.179 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1CC[N@@H+](C)C(C)C ZINC001303414425 1067941278 /nfs/dbraw/zinc/94/12/78/1067941278.db2.gz KQWBNYBYWJDKAR-IBGZPJMESA-N 1 1 493.450 3.097 20 0 JGADMO Cc1nsc(N2CCCN(c3nnc(CC(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC001304901713 1067945219 /nfs/dbraw/zinc/94/52/19/1067945219.db2.gz JILALTFKBZLZFP-LJQANCHMSA-N 1 1 460.696 3.474 20 0 JGADMO Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001303423877 1067948923 /nfs/dbraw/zinc/94/89/23/1067948923.db2.gz AVZPGLSQIRGQBT-RTBURBONSA-N 1 1 470.620 3.262 20 0 JGADMO Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001303424106 1067948999 /nfs/dbraw/zinc/94/89/99/1067948999.db2.gz KLNGFOFIYSTAAY-HXUWFJFHSA-N 1 1 455.502 3.344 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304908548 1067952000 /nfs/dbraw/zinc/95/20/00/1067952000.db2.gz AYHDPVRSEXHNMX-MHTWAQMVSA-N 1 1 460.667 3.178 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(Nc3ccn(C)n3)nnc2C(=O)Nc2ccccn2)C1 ZINC001304910030 1067953045 /nfs/dbraw/zinc/95/30/45/1067953045.db2.gz GNJBDQMAKYHRSH-CALCHBBNSA-N 1 1 451.579 3.159 20 0 JGADMO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc(I)cc1C(F)(F)F ZINC001303428142 1067953104 /nfs/dbraw/zinc/95/31/04/1067953104.db2.gz XIRNSVITYNUNKN-LLVKDONJSA-N 1 1 455.262 3.193 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)C1 ZINC001304910764 1067953678 /nfs/dbraw/zinc/95/36/78/1067953678.db2.gz IPQDXFVBAYEKMK-LKXUXUIPSA-N 1 1 469.671 3.121 20 0 JGADMO CC(C)NC(=O)CCn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001303430465 1067954897 /nfs/dbraw/zinc/95/48/97/1067954897.db2.gz HWCUXSRMGWHVRK-GBXCKJPGSA-N 1 1 498.701 3.098 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccn2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304911129 1067955025 /nfs/dbraw/zinc/95/50/25/1067955025.db2.gz KPCJKJHMCGMRAK-BGYRXZFFSA-N 1 1 457.667 3.249 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304913019 1067956830 /nfs/dbraw/zinc/95/68/30/1067956830.db2.gz SELZQVYEONTIOL-HBMCJLEFSA-N 1 1 460.667 3.132 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001303441073 1067963227 /nfs/dbraw/zinc/96/32/27/1067963227.db2.gz OCLJIPUJNFPXMN-SFHVURJKSA-N 1 1 460.573 3.125 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303441387 1067963593 /nfs/dbraw/zinc/96/35/93/1067963593.db2.gz SAYYAOOEFGBJED-QFIPXVFZSA-N 1 1 470.618 3.016 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccccc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001304923338 1067965224 /nfs/dbraw/zinc/96/52/24/1067965224.db2.gz CCJABUDQTAKTEK-OYRHEFFESA-N 1 1 488.702 3.173 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304924794 1067967728 /nfs/dbraw/zinc/96/77/28/1067967728.db2.gz AEPALCWVNVIILB-PLACYPQZSA-N 1 1 483.723 3.046 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C3CCCC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304924763 1067967754 /nfs/dbraw/zinc/96/77/54/1067967754.db2.gz JPAONWIEANJFQV-SVFBPWRDSA-N 1 1 451.681 3.317 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001303447017 1067967806 /nfs/dbraw/zinc/96/78/06/1067967806.db2.gz BPURUIANGRZCPA-HXUWFJFHSA-N 1 1 455.651 3.289 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304925193 1067968596 /nfs/dbraw/zinc/96/85/96/1067968596.db2.gz LGOLRTJTQMINEK-TZRRMPRUSA-N 1 1 490.737 3.477 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001303448530 1067969869 /nfs/dbraw/zinc/96/98/69/1067969869.db2.gz UKRDZSDYUOPTHL-HXUWFJFHSA-N 1 1 482.673 3.457 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304927044 1067970437 /nfs/dbraw/zinc/97/04/37/1067970437.db2.gz PHUIAXXPJYOUTO-OYRHEFFESA-N 1 1 495.672 3.008 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cccn3C)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304926595 1067970654 /nfs/dbraw/zinc/97/06/54/1067970654.db2.gz QIKWVIFLWUGSMB-BGYRXZFFSA-N 1 1 455.651 3.134 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304926872 1067971735 /nfs/dbraw/zinc/97/17/35/1067971735.db2.gz RSKRSKZFCGPMRS-ZVDOUQERSA-N 1 1 479.716 3.312 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304927132 1067972424 /nfs/dbraw/zinc/97/24/24/1067972424.db2.gz IUSVBBNMLPCCFA-QHAWAJNXSA-N 1 1 488.702 3.499 20 0 JGADMO C[C@@H]1C[C@@H](N(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304947060 1067998706 /nfs/dbraw/zinc/99/87/06/1067998706.db2.gz FJMFWNDAHZHOJJ-IRLDBZIGSA-N 1 1 490.718 3.247 20 0 JGADMO C[C@@H]1C[C@@H](N(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001304947835 1067999126 /nfs/dbraw/zinc/99/91/26/1067999126.db2.gz HHYHTMHYNMBXSA-YZGWKJHDSA-N 1 1 494.562 3.297 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@]2(C)CCCS2)CCOC1 ZINC001303481250 1068001972 /nfs/dbraw/zinc/00/19/72/1068001972.db2.gz IVADKEXDOLXTJO-DQEYMECFSA-N 1 1 495.734 3.399 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304957282 1068003397 /nfs/dbraw/zinc/00/33/97/1068003397.db2.gz DIXVSTISKULZCQ-VAMGGRTRSA-N 1 1 488.702 3.350 20 0 JGADMO Cc1cc(O[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)ccc1C(C)C ZINC001303486552 1068008698 /nfs/dbraw/zinc/00/86/98/1068008698.db2.gz MLVYICPMBJPNIG-PXDATVDWSA-N 1 1 451.611 3.387 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CCc3ccccc3F)n2CC[N@@H+]2CC=CCC2)CCOC1 ZINC001303486655 1068009148 /nfs/dbraw/zinc/00/91/48/1068009148.db2.gz AFUUMVGROJFOGO-VWLOTQADSA-N 1 1 457.594 3.399 20 0 JGADMO C[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001304969681 1068010369 /nfs/dbraw/zinc/01/03/69/1068010369.db2.gz ICQKDCSQBNCHLN-HSALFYBXSA-N 1 1 451.681 3.460 20 0 JGADMO CC1CCC(N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001304973554 1068013425 /nfs/dbraw/zinc/01/34/25/1068013425.db2.gz AEZQYKMHGGHOBI-ODDURSCJSA-N 1 1 490.693 3.474 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001303489572 1068013678 /nfs/dbraw/zinc/01/36/78/1068013678.db2.gz LDPXIEXUSMZWMK-ZWCUEREDSA-N 1 1 489.583 3.349 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(C)(C)O)CC1 ZINC001304977017 1068015594 /nfs/dbraw/zinc/01/55/94/1068015594.db2.gz PERWAWSHKHRZLC-KDURUIRLSA-N 1 1 476.069 3.149 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3ccccc3)n2CCN(C)CC(F)(F)F)CC1 ZINC001304977153 1068015950 /nfs/dbraw/zinc/01/59/50/1068015950.db2.gz QMVGORJABZVFCM-OYRHEFFESA-N 1 1 493.622 3.434 20 0 JGADMO Cc1c(F)c(C(F)(F)F)ccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303491754 1068016707 /nfs/dbraw/zinc/01/67/07/1068016707.db2.gz LBCZRVGXNUUNMH-LJQANCHMSA-N 1 1 451.464 3.268 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(CO)CC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001303494259 1068019591 /nfs/dbraw/zinc/01/95/91/1068019591.db2.gz KBXDKOAXBYBFHV-RDGATRHJSA-N 1 1 492.064 3.484 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[C@H]2CCOC2)CCOC1 ZINC001303494281 1068020122 /nfs/dbraw/zinc/02/01/22/1068020122.db2.gz KHHXOHDYSHRYTI-DHLKQENFSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[C@H]2CCOC2)CCOC1 ZINC001303494288 1068020482 /nfs/dbraw/zinc/02/04/82/1068020482.db2.gz KHHXOHDYSHRYTI-WIOPSUGQSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001303495935 1068021836 /nfs/dbraw/zinc/02/18/36/1068021836.db2.gz SEPXPBMRIYVYBF-ZEQKJWHPSA-N 1 1 477.694 3.428 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(CO)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303496556 1068023234 /nfs/dbraw/zinc/02/32/34/1068023234.db2.gz XFEYGEBZMJLAHX-RLWLMLJZSA-N 1 1 471.646 3.048 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001304989156 1068031604 /nfs/dbraw/zinc/03/16/04/1068031604.db2.gz RBTQVJHMQBSXRW-PXDATVDWSA-N 1 1 457.667 3.331 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCOC1 ZINC001303502930 1068033727 /nfs/dbraw/zinc/03/37/27/1068033727.db2.gz BDOXETQMVNYVJW-VWLOTQADSA-N 1 1 475.609 3.205 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCCN(c4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303503332 1068034988 /nfs/dbraw/zinc/03/49/88/1068034988.db2.gz XPHNHDVYUIPQFH-AREMUKBSSA-N 1 1 470.662 3.376 20 0 JGADMO C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304993806 1068035837 /nfs/dbraw/zinc/03/58/37/1068035837.db2.gz AIEGPEKWNGXWBO-UQBPGWFLSA-N 1 1 489.686 3.210 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(C4CCC4)CC3)n2CC[NH+](C(C)C)C(C)C)CCOC1 ZINC001303504496 1068037151 /nfs/dbraw/zinc/03/71/51/1068037151.db2.gz WBGQUJFVWXQYAC-VWLOTQADSA-N 1 1 462.683 3.112 20 0 JGADMO C[C@H]1CCC[C@@]1(O)Cn1c(Cc2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304995658 1068038213 /nfs/dbraw/zinc/03/82/13/1068038213.db2.gz OJVLMHAMRWHQTP-UVPKRVSESA-N 1 1 459.610 3.105 20 0 JGADMO C[C@H]1CCC[C@@]1(O)Cn1c(Cc2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304995658 1068038226 /nfs/dbraw/zinc/03/82/26/1068038226.db2.gz OJVLMHAMRWHQTP-UVPKRVSESA-N 1 1 459.610 3.105 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303507721 1068041973 /nfs/dbraw/zinc/04/19/73/1068041973.db2.gz XNPIGXQRDDCURU-UXGLMHHASA-N 1 1 493.693 3.069 20 0 JGADMO C[C@@H]1CCCC[C@H]1OCCn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305005128 1068047428 /nfs/dbraw/zinc/04/74/28/1068047428.db2.gz QIEBYPWXZSTTQB-IFMALSPDSA-N 1 1 473.666 3.069 20 0 JGADMO C[NH+]1CC(N2CCN(C(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)CC2)C1 ZINC001303515429 1068049288 /nfs/dbraw/zinc/04/92/88/1068049288.db2.gz RLYBOSJAUJIIQU-UHFFFAOYSA-N 1 1 458.672 3.080 20 0 JGADMO C[C@@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001305007278 1068049178 /nfs/dbraw/zinc/04/91/78/1068049178.db2.gz DKDVQNLOZWHQTG-HXUWFJFHSA-N 1 1 488.702 3.001 20 0 JGADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001303518040 1068051430 /nfs/dbraw/zinc/05/14/30/1068051430.db2.gz UFRGQOBFGULCQR-FQEVSTJZSA-N 1 1 450.587 3.484 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305012924 1068053357 /nfs/dbraw/zinc/05/33/57/1068053357.db2.gz CVHGHOZLKBQLIR-DNRQZRRGSA-N 1 1 460.667 3.012 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 ZINC001305013491 1068053965 /nfs/dbraw/zinc/05/39/65/1068053965.db2.gz JSJLYRAOAOXVGK-KRWDZBQOSA-N 1 1 452.594 3.093 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N(C)C)CC1 ZINC001305013724 1068054450 /nfs/dbraw/zinc/05/44/50/1068054450.db2.gz LXDAHGUROFHKDB-IRLDBZIGSA-N 1 1 460.667 3.131 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(CC(C)(C)C)n2CCCn2cnnn2)CC1 ZINC001305013662 1068054478 /nfs/dbraw/zinc/05/44/78/1068054478.db2.gz KRMZTMOJLJLVGK-HXUWFJFHSA-N 1 1 457.671 3.424 20 0 JGADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305013842 1068054636 /nfs/dbraw/zinc/05/46/36/1068054636.db2.gz ACVHFWHZOQHVAD-UXHICEINSA-N 1 1 499.685 3.393 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001303524315 1068054700 /nfs/dbraw/zinc/05/47/00/1068054700.db2.gz BVOLSMTVYIKWQF-GJZUVCINSA-N 1 1 493.693 3.213 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001305015009 1068056863 /nfs/dbraw/zinc/05/68/63/1068056863.db2.gz BJHQPIAKKDQEKZ-SLFFLAALSA-N 1 1 475.659 3.227 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(C2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001305015276 1068057219 /nfs/dbraw/zinc/05/72/19/1068057219.db2.gz CKRKQBSDNIYVCQ-FQEVSTJZSA-N 1 1 480.723 3.356 20 0 JGADMO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305015735 1068058660 /nfs/dbraw/zinc/05/86/60/1068058660.db2.gz YNWBJPWIRPZZSW-NJYVYQBISA-N 1 1 476.691 3.425 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CC2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001305015822 1068058939 /nfs/dbraw/zinc/05/89/39/1068058939.db2.gz FPYSMLKOFRUSND-HXUWFJFHSA-N 1 1 480.723 3.183 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001305016637 1068059716 /nfs/dbraw/zinc/05/97/16/1068059716.db2.gz AAQPEYQCZOYOCA-KSEOMHKRSA-N 1 1 495.734 3.475 20 0 JGADMO C[C@@H]1CCCC[N@@H+]1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001305017300 1068061149 /nfs/dbraw/zinc/06/11/49/1068061149.db2.gz KPOGEFWAYWYCMD-MOPGFXCFSA-N 1 1 474.600 3.469 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001305017601 1068061606 /nfs/dbraw/zinc/06/16/06/1068061606.db2.gz FMMPZDVSQMQPKB-XUVXKRRUSA-N 1 1 483.723 3.188 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001305018206 1068062811 /nfs/dbraw/zinc/06/28/11/1068062811.db2.gz HLFXLDSNFNLKGM-YADHBBJMSA-N 1 1 476.710 3.230 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001305018205 1068063070 /nfs/dbraw/zinc/06/30/70/1068063070.db2.gz HLFXLDSNFNLKGM-VXKWHMMOSA-N 1 1 476.710 3.230 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001305018709 1068064387 /nfs/dbraw/zinc/06/43/87/1068064387.db2.gz IXJGFQRZZUMITQ-FCHUYYIVSA-N 1 1 476.710 3.087 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN(C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305019589 1068065438 /nfs/dbraw/zinc/06/54/38/1068065438.db2.gz NFUKAIGKLKJSRK-FGZHOGPDSA-N 1 1 467.662 3.207 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001305019733 1068065905 /nfs/dbraw/zinc/06/59/05/1068065905.db2.gz XIWJVMLBQLZQJM-HXUWFJFHSA-N 1 1 456.635 3.364 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305019925 1068066724 /nfs/dbraw/zinc/06/67/24/1068066724.db2.gz OMZKTYRFWSSIBP-PXDATVDWSA-N 1 1 473.666 3.162 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001305019769 1068066754 /nfs/dbraw/zinc/06/67/54/1068066754.db2.gz XQHGSULJQFTUJK-KRWDZBQOSA-N 1 1 452.525 3.498 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)C1 ZINC001305019913 1068066932 /nfs/dbraw/zinc/06/69/32/1068066932.db2.gz OHWSRKLCMBFDMB-GHTZIAJQSA-N 1 1 487.693 3.144 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305020113 1068067491 /nfs/dbraw/zinc/06/74/91/1068067491.db2.gz SUIWSPWVSIUHFF-HXUWFJFHSA-N 1 1 483.665 3.020 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305020902 1068069243 /nfs/dbraw/zinc/06/92/43/1068069243.db2.gz SKROYAPUMFDWDO-ZWKOTPCHSA-N 1 1 474.600 3.325 20 0 JGADMO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001305021145 1068070297 /nfs/dbraw/zinc/07/02/97/1068070297.db2.gz WVDWEAHCEXUJAX-FCHUYYIVSA-N 1 1 487.737 3.310 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305021720 1068071207 /nfs/dbraw/zinc/07/12/07/1068071207.db2.gz ZKWZQCAJXHKMIM-DXBBTUNJSA-N 1 1 495.734 3.475 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1 ZINC001305021756 1068071477 /nfs/dbraw/zinc/07/14/77/1068071477.db2.gz ZRJGCLVHLSIABX-VQTJNVASSA-N 1 1 454.610 3.214 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001305021909 1068072019 /nfs/dbraw/zinc/07/20/19/1068072019.db2.gz INTCZNMJKYQDBB-ROUUACIJSA-N 1 1 482.599 3.262 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(N3CC[C@@]4(CCS(=O)(=O)C4)C3)nnc2C(C)(C)C)C1 ZINC001305021759 1068072094 /nfs/dbraw/zinc/07/20/94/1068072094.db2.gz WZVUNJNQIRTQRD-FDDCHVKYSA-N 1 1 451.681 3.101 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305021896 1068072224 /nfs/dbraw/zinc/07/22/24/1068072224.db2.gz INSIRNHFWYDNAE-ROUUACIJSA-N 1 1 460.648 3.093 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001305021813 1068072327 /nfs/dbraw/zinc/07/23/27/1068072327.db2.gz XMJKGNSDTRJMAD-PZJWPPBQSA-N 1 1 490.693 3.471 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305022133 1068072685 /nfs/dbraw/zinc/07/26/85/1068072685.db2.gz JTDOAHNSCORYMB-AZUAARDMSA-N 1 1 470.666 3.174 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001305022252 1068072789 /nfs/dbraw/zinc/07/27/89/1068072789.db2.gz XWNHMKGSHVXNGA-QFIPXVFZSA-N 1 1 481.689 3.469 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001305022249 1068072922 /nfs/dbraw/zinc/07/29/22/1068072922.db2.gz XWNHMKGSHVXNGA-JOCHJYFZSA-N 1 1 481.689 3.469 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001305022985 1068074672 /nfs/dbraw/zinc/07/46/72/1068074672.db2.gz OQIUBIXEKLCHHJ-KRWDZBQOSA-N 1 1 483.082 3.375 20 0 JGADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305023126 1068075212 /nfs/dbraw/zinc/07/52/12/1068075212.db2.gz ASHFHEURGNWJNV-QZTJIDSGSA-N 1 1 483.629 3.138 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023974 1068077321 /nfs/dbraw/zinc/07/73/21/1068077321.db2.gz JKISXKVZTINDNT-UWVAXJGDSA-N 1 1 466.051 3.342 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024026 1068078425 /nfs/dbraw/zinc/07/84/25/1068078425.db2.gz KCIDVLFHQHNSIM-WOJBJXKFSA-N 1 1 469.634 3.035 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305024665 1068079819 /nfs/dbraw/zinc/07/98/19/1068079819.db2.gz MIQOAZVOENBPNN-HZPDHXFCSA-N 1 1 472.030 3.339 20 0 JGADMO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025321 1068080218 /nfs/dbraw/zinc/08/02/18/1068080218.db2.gz MLGDFJNUIKUXLM-RTBURBONSA-N 1 1 456.610 3.220 20 0 JGADMO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001303555040 1068080514 /nfs/dbraw/zinc/08/05/14/1068080514.db2.gz WIDZSSKTXAKTAI-GGAORHGYSA-N 1 1 468.646 3.428 20 0 JGADMO CC(C)OCCCn1c(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nnc1C(C)(C)C ZINC001303555751 1068081726 /nfs/dbraw/zinc/08/17/26/1068081726.db2.gz VEWOQUQYBIVBCX-UHFFFAOYSA-N 1 1 457.619 3.484 20 0 JGADMO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025768 1068081902 /nfs/dbraw/zinc/08/19/02/1068081902.db2.gz UOKKBLHZJJXAMO-IAGOWNOFSA-N 1 1 452.525 3.354 20 0 JGADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026148 1068082227 /nfs/dbraw/zinc/08/22/27/1068082227.db2.gz QBQMBZVXWPRFDO-WTGUMLROSA-N 1 1 451.681 3.173 20 0 JGADMO CC(C)OCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303556264 1068082363 /nfs/dbraw/zinc/08/23/63/1068082363.db2.gz KCDTULPALLYBSC-CNNODRBYSA-N 1 1 461.582 3.139 20 0 JGADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027182 1068083762 /nfs/dbraw/zinc/08/37/62/1068083762.db2.gz TVOBGPVKMZFQOR-LMMKCTJWSA-N 1 1 481.613 3.215 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028042 1068084309 /nfs/dbraw/zinc/08/43/09/1068084309.db2.gz CHXGKJLUEGXIMN-RTWAWAEBSA-N 1 1 486.636 3.421 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028146 1068084690 /nfs/dbraw/zinc/08/46/90/1068084690.db2.gz XQDPCSFCKZGKHX-ZIFCJYIRSA-N 1 1 491.624 3.469 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305028571 1068085775 /nfs/dbraw/zinc/08/57/75/1068085775.db2.gz ZZAHUADHPMVUJA-GIWBLDEGSA-N 1 1 467.662 3.125 20 0 JGADMO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028568 1068085827 /nfs/dbraw/zinc/08/58/27/1068085827.db2.gz ZYWSJFUIAJXVGT-HZPDHXFCSA-N 1 1 465.524 3.203 20 0 JGADMO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028644 1068086015 /nfs/dbraw/zinc/08/60/15/1068086015.db2.gz IFJSRCSAYZUPEH-FUPPJEDESA-N 1 1 489.686 3.033 20 0 JGADMO C[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305028719 1068086813 /nfs/dbraw/zinc/08/68/13/1068086813.db2.gz JCJKKEAEEFGXOT-NHCUHLMSSA-N 1 1 486.686 3.272 20 0 JGADMO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305029820 1068087699 /nfs/dbraw/zinc/08/76/99/1068087699.db2.gz RMNYDAHWXGCCSR-KZNAEPCWSA-N 1 1 462.689 3.332 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CCCC2)CC1 ZINC001303566451 1068088653 /nfs/dbraw/zinc/08/86/53/1068088653.db2.gz CGWKALSCBGMXCA-HXUWFJFHSA-N 1 1 475.609 3.409 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCOC2)CC1 ZINC001303566750 1068089047 /nfs/dbraw/zinc/08/90/47/1068089047.db2.gz JWINWRYAJOWDFP-UXHICEINSA-N 1 1 461.582 3.141 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2F)CC1 ZINC001303567211 1068090503 /nfs/dbraw/zinc/09/05/03/1068090503.db2.gz RTPOUYBZLQLWLO-VWLOTQADSA-N 1 1 493.599 3.192 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCSC2)CC1 ZINC001303567475 1068090804 /nfs/dbraw/zinc/09/08/04/1068090804.db2.gz XRJLZTUARLRGSM-QPPBQGQZSA-N 1 1 481.707 3.009 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC001303567599 1068091408 /nfs/dbraw/zinc/09/14/08/1068091408.db2.gz YIQBUMOGXFHNRR-UHFFFAOYSA-N 1 1 464.010 3.421 20 0 JGADMO C[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001305036987 1068093371 /nfs/dbraw/zinc/09/33/71/1068093371.db2.gz XRZWOIDBONOKMM-RDJZCZTQSA-N 1 1 451.413 3.119 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001303570259 1068093687 /nfs/dbraw/zinc/09/36/87/1068093687.db2.gz CXXSZTAJBZBIAM-AREMUKBSSA-N 1 1 499.059 3.372 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001303571447 1068096338 /nfs/dbraw/zinc/09/63/38/1068096338.db2.gz KWCBMSHVXUSLLK-LEWJYISDSA-N 1 1 475.609 3.326 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305041633 1068096365 /nfs/dbraw/zinc/09/63/65/1068096365.db2.gz FUZYAFYFPBZRMQ-GMAHTHKFSA-N 1 1 488.702 3.180 20 0 JGADMO CC(C)OCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001303571458 1068096455 /nfs/dbraw/zinc/09/64/55/1068096455.db2.gz KYCJIKPKVLJWGK-QHCPKHFHSA-N 1 1 462.683 3.331 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001305042413 1068097577 /nfs/dbraw/zinc/09/75/77/1068097577.db2.gz IUFNBBCWIFWOOI-RBUKOAKNSA-N 1 1 452.594 3.394 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC2)CC1 ZINC001303572219 1068097573 /nfs/dbraw/zinc/09/75/73/1068097573.db2.gz ZASJZIUHWAWRLH-UHFFFAOYSA-N 1 1 476.666 3.350 20 0 JGADMO C[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001305042076 1068097791 /nfs/dbraw/zinc/09/77/91/1068097791.db2.gz GJAZTGRXWCKMGG-BTYIYWSLSA-N 1 1 454.402 3.467 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001305042489 1068098495 /nfs/dbraw/zinc/09/84/95/1068098495.db2.gz IJQBQRSIUWSABJ-NHCUHLMSSA-N 1 1 469.634 3.299 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305043241 1068099473 /nfs/dbraw/zinc/09/94/73/1068099473.db2.gz OUWDJYCMHYPHFM-PMACEKPBSA-N 1 1 472.609 3.210 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS(=O)CC2)C1 ZINC001305043712 1068100365 /nfs/dbraw/zinc/10/03/65/1068100365.db2.gz SORFSHNPGFPDFY-PWRODBHTSA-N 1 1 465.708 3.278 20 0 JGADMO CC(C)SCCn1c(-c2ccccc2F)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001303577167 1068101919 /nfs/dbraw/zinc/10/19/19/1068101919.db2.gz YMASLJRBUSJWIC-OAQYLSRUSA-N 1 1 490.693 3.457 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305046123 1068103960 /nfs/dbraw/zinc/10/39/60/1068103960.db2.gz HGAKSSUUBYWTHK-PLACYPQZSA-N 1 1 476.666 3.253 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305047088 1068105234 /nfs/dbraw/zinc/10/52/34/1068105234.db2.gz LLYJPHLNSOBVRV-MSOLQXFVSA-N 1 1 468.067 3.124 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)C[C@@H](C)C2)C1 ZINC001305048261 1068107007 /nfs/dbraw/zinc/10/70/07/1068107007.db2.gz MDXDCEUTUXRXBG-XRXFAXGQSA-N 1 1 451.681 3.175 20 0 JGADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305048106 1068107022 /nfs/dbraw/zinc/10/70/22/1068107022.db2.gz NYYLNLBIQLRJOW-SFHLNBCPSA-N 1 1 475.659 3.115 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001305048421 1068107932 /nfs/dbraw/zinc/10/79/32/1068107932.db2.gz MNMGLXHPRHNUFV-ZWKOTPCHSA-N 1 1 491.624 3.471 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303586596 1068108050 /nfs/dbraw/zinc/10/80/50/1068108050.db2.gz CUVMGDLFMFYKDY-MRXNPFEDSA-N 1 1 459.545 3.265 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303586596 1068108053 /nfs/dbraw/zinc/10/80/53/1068108053.db2.gz CUVMGDLFMFYKDY-MRXNPFEDSA-N 1 1 459.545 3.265 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001305048959 1068108645 /nfs/dbraw/zinc/10/86/45/1068108645.db2.gz QWIRHLMCZKYOAO-OALUTQOASA-N 1 1 496.077 3.081 20 0 JGADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305049421 1068109084 /nfs/dbraw/zinc/10/90/84/1068109084.db2.gz SKTSHNHVKZDMBD-DXIQSLLYSA-N 1 1 490.674 3.096 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305049526 1068109935 /nfs/dbraw/zinc/10/99/35/1068109935.db2.gz PDELMBZWLGUKJW-TZIWHRDSSA-N 1 1 486.665 3.294 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccnc3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001305049537 1068110026 /nfs/dbraw/zinc/11/00/26/1068110026.db2.gz PGIVABKSLBRDAH-JOCHJYFZSA-N 1 1 469.678 3.399 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001305049767 1068110492 /nfs/dbraw/zinc/11/04/92/1068110492.db2.gz TUCNEOKCBRJDQW-SJLPKXTDSA-N 1 1 457.541 3.252 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)[C@H]2C)C1 ZINC001305049853 1068110520 /nfs/dbraw/zinc/11/05/20/1068110520.db2.gz KBAPTZGNLGGKKP-QRVBRYPASA-N 1 1 477.700 3.411 20 0 JGADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305050238 1068111764 /nfs/dbraw/zinc/11/17/64/1068111764.db2.gz VGHSOEFQGMVLOQ-RZUBCFFCSA-N 1 1 489.686 3.075 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(Br)c3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001305050748 1068111884 /nfs/dbraw/zinc/11/18/84/1068111884.db2.gz NBDWWGHXFJKTIB-IAGOWNOFSA-N 1 1 475.435 3.106 20 0 JGADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305050239 1068111951 /nfs/dbraw/zinc/11/19/51/1068111951.db2.gz VGHSOEFQGMVLOQ-SJBKTWHCSA-N 1 1 489.686 3.075 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001305050821 1068112893 /nfs/dbraw/zinc/11/28/93/1068112893.db2.gz NDFPBTDAUMHGHI-MRXNPFEDSA-N 1 1 453.969 3.113 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001305051147 1068114071 /nfs/dbraw/zinc/11/40/71/1068114071.db2.gz ZJTDSVBNYBJJEA-IFMALSPDSA-N 1 1 499.660 3.350 20 0 JGADMO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303593767 1068114154 /nfs/dbraw/zinc/11/41/54/1068114154.db2.gz MFHYDFOXKNXCHA-JTSKRJEESA-N 1 1 498.582 3.153 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303594690 1068114886 /nfs/dbraw/zinc/11/48/86/1068114886.db2.gz PYFQINAZYRCSPC-JUXOCIIHSA-N 1 1 490.599 3.200 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303594692 1068114980 /nfs/dbraw/zinc/11/49/80/1068114980.db2.gz PYFQINAZYRCSPC-SFGWALBWSA-N 1 1 490.599 3.200 20 0 JGADMO CC(C)N1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001305051384 1068114991 /nfs/dbraw/zinc/11/49/91/1068114991.db2.gz ZJADYNYSPTVQQN-VSKRKVRLSA-N 1 1 489.709 3.311 20 0 JGADMO CC(C)N1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305051384 1068114997 /nfs/dbraw/zinc/11/49/97/1068114997.db2.gz ZJADYNYSPTVQQN-VSKRKVRLSA-N 1 1 489.709 3.311 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305052063 1068115534 /nfs/dbraw/zinc/11/55/34/1068115534.db2.gz YGXYWJLZVLGQDV-HKBOAZHASA-N 1 1 467.680 3.045 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305052069 1068115635 /nfs/dbraw/zinc/11/56/35/1068115635.db2.gz YGXYWJLZVLGQDV-QHAWAJNXSA-N 1 1 467.680 3.045 20 0 JGADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CC[N@@H+]1CC=CCC1 ZINC001303595035 1068116085 /nfs/dbraw/zinc/11/60/85/1068116085.db2.gz AZBFDVUZTSXUAS-IBGZPJMESA-N 1 1 466.611 3.203 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccccc3Br)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001305052565 1068117031 /nfs/dbraw/zinc/11/70/31/1068117031.db2.gz UXNZTCGHSMIVJE-IRXDYDNUSA-N 1 1 475.435 3.106 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCC[C@H]1C ZINC001305057340 1068119221 /nfs/dbraw/zinc/11/92/21/1068119221.db2.gz BCVQMAQTOACHEZ-BRWVUGGUSA-N 1 1 454.040 3.341 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOCC1CC1 ZINC001305057313 1068119233 /nfs/dbraw/zinc/11/92/33/1068119233.db2.gz AJHUIESVGUGEGR-OAHLLOKOSA-N 1 1 451.413 3.383 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001305057857 1068119938 /nfs/dbraw/zinc/11/99/38/1068119938.db2.gz DMCPTTKYGYSIIV-HNNXBMFYSA-N 1 1 473.503 3.463 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001305057974 1068120370 /nfs/dbraw/zinc/12/03/70/1068120370.db2.gz CNTSHWGDDYLOSB-ICSRJNTNSA-N 1 1 478.563 3.052 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001305058517 1068121226 /nfs/dbraw/zinc/12/12/26/1068121226.db2.gz HJJUEZPQVQOSRY-AWEZNQCLSA-N 1 1 471.553 3.110 20 0 JGADMO C[C@@H]1CCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305058938 1068122346 /nfs/dbraw/zinc/12/23/46/1068122346.db2.gz JNTMYIWAEPAERE-HXUWFJFHSA-N 1 1 488.702 3.144 20 0 JGADMO C[C@@H]1CCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305058938 1068122356 /nfs/dbraw/zinc/12/23/56/1068122356.db2.gz JNTMYIWAEPAERE-HXUWFJFHSA-N 1 1 488.702 3.144 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305058885 1068122372 /nfs/dbraw/zinc/12/23/72/1068122372.db2.gz KLNNBVAKRVNYOH-IBGZPJMESA-N 1 1 469.634 3.242 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001305059675 1068123897 /nfs/dbraw/zinc/12/38/97/1068123897.db2.gz NNPYTGRJMIZKSF-IAGOWNOFSA-N 1 1 475.435 3.284 20 0 JGADMO CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001303598825 1068124673 /nfs/dbraw/zinc/12/46/73/1068124673.db2.gz KUXCKTYTZNTTAU-PMUMKWKESA-N 1 1 480.483 3.089 20 0 JGADMO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001303598679 1068124805 /nfs/dbraw/zinc/12/48/05/1068124805.db2.gz CJVBLJPLFCGQCM-OTWHNJEPSA-N 1 1 451.409 3.112 20 0 JGADMO C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305061187 1068126354 /nfs/dbraw/zinc/12/63/54/1068126354.db2.gz TXSVPBAAOKPLEI-RBUKOAKNSA-N 1 1 486.642 3.470 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001305061719 1068127719 /nfs/dbraw/zinc/12/77/19/1068127719.db2.gz WHPRZZVONXSKKH-MRXNPFEDSA-N 1 1 470.515 3.418 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303603741 1068135806 /nfs/dbraw/zinc/13/58/06/1068135806.db2.gz TVSKAOZGCBFHIT-OTASCSKISA-N 1 1 496.681 3.310 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303603741 1068135811 /nfs/dbraw/zinc/13/58/11/1068135811.db2.gz TVSKAOZGCBFHIT-OTASCSKISA-N 1 1 496.681 3.310 20 0 JGADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)[C@@H]1C ZINC001305070198 1068144713 /nfs/dbraw/zinc/14/47/13/1068144713.db2.gz CHXIJQRYXLONNK-KNKQGSTJSA-N 1 1 489.064 3.333 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001305071816 1068145800 /nfs/dbraw/zinc/14/58/00/1068145800.db2.gz ZVMLEJGWIGIREN-LPHOPBHVSA-N 1 1 469.055 3.081 20 0 JGADMO C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303620907 1068152971 /nfs/dbraw/zinc/15/29/71/1068152971.db2.gz KQERSNDABVPUOB-CTNGQTDRSA-N 1 1 471.627 3.493 20 0 JGADMO CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001305081274 1068154341 /nfs/dbraw/zinc/15/43/41/1068154341.db2.gz QYMLWPZBSAIDPR-HXUWFJFHSA-N 1 1 475.659 3.086 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303629678 1068160477 /nfs/dbraw/zinc/16/04/77/1068160477.db2.gz NJGDRZMGUHNZSZ-DLBZAZTESA-N 1 1 472.581 3.221 20 0 JGADMO CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001305096003 1068163387 /nfs/dbraw/zinc/16/33/87/1068163387.db2.gz RPOBVCGGBQFYBY-HXUWFJFHSA-N 1 1 460.623 3.085 20 0 JGADMO C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC001305096212 1068163411 /nfs/dbraw/zinc/16/34/11/1068163411.db2.gz SAKPLGKCJURBKD-VJBWXMMDSA-N 1 1 453.679 3.075 20 0 JGADMO C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001305108574 1068178085 /nfs/dbraw/zinc/17/80/85/1068178085.db2.gz UJUVGHSPIQPNJW-MSOLQXFVSA-N 1 1 451.662 3.171 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001305111706 1068184083 /nfs/dbraw/zinc/18/40/83/1068184083.db2.gz FPWYGLXIIPSLNS-FUPPJEDESA-N 1 1 482.673 3.043 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305112744 1068187990 /nfs/dbraw/zinc/18/79/90/1068187990.db2.gz JJSBFLFGHQVZIS-KURKYZTESA-N 1 1 460.589 3.362 20 0 JGADMO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305113497 1068189993 /nfs/dbraw/zinc/18/99/93/1068189993.db2.gz PBNGWAQRSGFSFW-KDURUIRLSA-N 1 1 477.675 3.329 20 0 JGADMO C[C@H]1C[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305113451 1068190144 /nfs/dbraw/zinc/19/01/44/1068190144.db2.gz ULMHQKOMXGTAAT-HOTGVXAUSA-N 1 1 471.568 3.466 20 0 JGADMO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305113704 1068190529 /nfs/dbraw/zinc/19/05/29/1068190529.db2.gz VZTIVRRPUAFMTM-FGZHOGPDSA-N 1 1 469.678 3.072 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305113704 1068190532 /nfs/dbraw/zinc/19/05/32/1068190532.db2.gz VZTIVRRPUAFMTM-FGZHOGPDSA-N 1 1 469.678 3.072 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CCc2nccs2)C[C@H](C)O1 ZINC001305114990 1068193350 /nfs/dbraw/zinc/19/33/50/1068193350.db2.gz VTORZMAURKMGAA-HDICACEKSA-N 1 1 455.632 3.363 20 0 JGADMO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303662079 1068193396 /nfs/dbraw/zinc/19/33/96/1068193396.db2.gz CJTNQPJUSQCGTG-URVUXULASA-N 1 1 477.613 3.043 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C)C2)C1 ZINC001305121784 1068204602 /nfs/dbraw/zinc/20/46/02/1068204602.db2.gz JIVYCOAQVFTXGY-QUCCMNQESA-N 1 1 475.037 3.207 20 0 JGADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2ccccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC001305122163 1068205085 /nfs/dbraw/zinc/20/50/85/1068205085.db2.gz LVTDAQFOGPXJJM-YQOVMPOYSA-N 1 1 462.038 3.294 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001305123114 1068207267 /nfs/dbraw/zinc/20/72/67/1068207267.db2.gz DORMJZDLZRBWPW-IBGZPJMESA-N 1 1 468.646 3.003 20 0 JGADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[NH+](C[C@@H]3CCCO3)CC2)nnc1C(C)(C)C ZINC001303673635 1068210276 /nfs/dbraw/zinc/21/02/76/1068210276.db2.gz DVVVMXZEQJQIDA-PMACEKPBSA-N 1 1 478.682 3.380 20 0 JGADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001305124412 1068210469 /nfs/dbraw/zinc/21/04/69/1068210469.db2.gz ZKKZYRAAQOVLRT-PMACEKPBSA-N 1 1 463.586 3.061 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H](C)S1 ZINC001305125308 1068212023 /nfs/dbraw/zinc/21/20/23/1068212023.db2.gz WEZOUWHKTCHLLI-ZACQAIPSSA-N 1 1 455.588 3.152 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H](C)S1 ZINC001305125307 1068212111 /nfs/dbraw/zinc/21/21/11/1068212111.db2.gz WEZOUWHKTCHLLI-IXDOHACOSA-N 1 1 455.588 3.152 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C)S1 ZINC001305133141 1068218688 /nfs/dbraw/zinc/21/86/88/1068218688.db2.gz LMTOJFKMMHAPQW-STXHMFSFSA-N 1 1 466.449 3.104 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305132803 1068218768 /nfs/dbraw/zinc/21/87/68/1068218768.db2.gz JVNPIBWWHDFCHQ-YOUFYPILSA-N 1 1 461.582 3.018 20 0 JGADMO C[C@@H](CN(C)c1nnc([C@H]2CCCOC2)n1CC1CCN(CC[NH+](C)C)CC1)c1nccs1 ZINC001303682762 1068219371 /nfs/dbraw/zinc/21/93/71/1068219371.db2.gz GBZJRKBEHIMGOK-FPOVZHCZSA-N 1 1 475.707 3.142 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001305135077 1068222508 /nfs/dbraw/zinc/22/25/08/1068222508.db2.gz MZGRZVJCIAURTA-LJQANCHMSA-N 1 1 454.619 3.238 20 0 JGADMO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCOC1)[N@@H+](C)C1CC1 ZINC001303686618 1068224780 /nfs/dbraw/zinc/22/47/80/1068224780.db2.gz HHUINPNTTAWUDL-PKOBYXMFSA-N 1 1 475.037 3.207 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)[NH+]2CCOCC2)CC(C)(C)O1 ZINC001305136593 1068226315 /nfs/dbraw/zinc/22/63/15/1068226315.db2.gz WZFIKWBZCPWTQE-MRXNPFEDSA-N 1 1 495.466 3.161 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@@H](C)C1 ZINC001305136716 1068226431 /nfs/dbraw/zinc/22/64/31/1068226431.db2.gz XIVZJGVXSFSMAQ-HOTGVXAUSA-N 1 1 451.413 3.146 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001305137329 1068228361 /nfs/dbraw/zinc/22/83/61/1068228361.db2.gz LTGHQEQFWLHKFJ-YDIMBITNSA-N 1 1 461.582 3.282 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001305138695 1068231288 /nfs/dbraw/zinc/23/12/88/1068231288.db2.gz QPBMJOYTGAXNMV-HOTGVXAUSA-N 1 1 482.398 3.183 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CC(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303691424 1068231431 /nfs/dbraw/zinc/23/14/31/1068231431.db2.gz DSZYENMBZINTRO-JKSUJKDBSA-N 1 1 475.435 3.282 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)S1 ZINC001305139886 1068233605 /nfs/dbraw/zinc/23/36/05/1068233605.db2.gz XHTLWLBPNLYXDZ-GASCZTMLSA-N 1 1 483.480 3.477 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)S1 ZINC001305139886 1068233621 /nfs/dbraw/zinc/23/36/21/1068233621.db2.gz XHTLWLBPNLYXDZ-GASCZTMLSA-N 1 1 483.480 3.477 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001303694383 1068237164 /nfs/dbraw/zinc/23/71/64/1068237164.db2.gz NVBUQOHEGAEYEO-MRXNPFEDSA-N 1 1 495.455 3.455 20 0 JGADMO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCCCCC1)[N@@H+](C)C1CC1 ZINC001303697615 1068240867 /nfs/dbraw/zinc/24/08/67/1068240867.db2.gz YTLHEEKPGFQDRX-LJQANCHMSA-N 1 1 474.675 3.449 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303700327 1068243204 /nfs/dbraw/zinc/24/32/04/1068243204.db2.gz DIYVCHRLLOWJCH-ROUUACIJSA-N 1 1 455.607 3.174 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC001303700617 1068243844 /nfs/dbraw/zinc/24/38/44/1068243844.db2.gz GYANVKHBUREZBA-QGZVFWFLSA-N 1 1 471.403 3.460 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC001303700615 1068243918 /nfs/dbraw/zinc/24/39/18/1068243918.db2.gz GYANVKHBUREZBA-KRWDZBQOSA-N 1 1 471.403 3.460 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1)[N@@H+](C)C1CC1 ZINC001303700879 1068244546 /nfs/dbraw/zinc/24/45/46/1068244546.db2.gz UCQILKFUIVYXBO-HNNXBMFYSA-N 1 1 452.024 3.095 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303701473 1068245072 /nfs/dbraw/zinc/24/50/72/1068245072.db2.gz QFEYCEUUJAZHTP-GOSISDBHSA-N 1 1 475.037 3.014 20 0 JGADMO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[NH+]1CCOCC1 ZINC001303704100 1068249546 /nfs/dbraw/zinc/24/95/46/1068249546.db2.gz FEIJILISWZOKOI-ZDUSSCGKSA-N 1 1 455.510 3.106 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001303712023 1068257421 /nfs/dbraw/zinc/25/74/21/1068257421.db2.gz HPCABDZSQAXHDL-XLIONFOSSA-N 1 1 461.010 3.271 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001305151440 1068257348 /nfs/dbraw/zinc/25/73/48/1068257348.db2.gz WZQIUQMVLJEDNX-OFNKIYASSA-N 1 1 482.673 3.146 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303716212 1068263090 /nfs/dbraw/zinc/26/30/90/1068263090.db2.gz DPKJACBRQULFPA-OALUTQOASA-N 1 1 476.666 3.491 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305156594 1068264735 /nfs/dbraw/zinc/26/47/35/1068264735.db2.gz WFBLSANGEYDELJ-SFHLNBCPSA-N 1 1 470.618 3.015 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001303721828 1068271071 /nfs/dbraw/zinc/27/10/71/1068271071.db2.gz IEPYOLJLCDYVQT-FPOVZHCZSA-N 1 1 459.660 3.295 20 0 JGADMO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001303724080 1068274869 /nfs/dbraw/zinc/27/48/69/1068274869.db2.gz WQISOVVXUJNJII-UNMCSNQZSA-N 1 1 489.686 3.204 20 0 JGADMO CC(C)n1nc(-c2nnc(N3CCCO[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001305164736 1068274830 /nfs/dbraw/zinc/27/48/30/1068274830.db2.gz JPLHKFIZKLHJCS-IBGZPJMESA-N 1 1 467.618 3.191 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305166533 1068277263 /nfs/dbraw/zinc/27/72/63/1068277263.db2.gz WVOGYYWILNZEGY-IBGZPJMESA-N 1 1 484.649 3.445 20 0 JGADMO C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001303726330 1068278755 /nfs/dbraw/zinc/27/87/55/1068278755.db2.gz ATYIXHGWPIOIRN-FZOAFFARSA-N 1 1 482.652 3.211 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001305169931 1068280652 /nfs/dbraw/zinc/28/06/52/1068280652.db2.gz INUCSRNGIOJMJV-HKUYNNGSSA-N 1 1 498.619 3.253 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303728245 1068282250 /nfs/dbraw/zinc/28/22/50/1068282250.db2.gz KRPWVBUEFYOANQ-UXHICEINSA-N 1 1 483.661 3.440 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[N@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001305171538 1068284030 /nfs/dbraw/zinc/28/40/30/1068284030.db2.gz SEXUMERIFVOUNT-CTNGQTDRSA-N 1 1 476.666 3.228 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(CCCN2CCOCC2)CC1)[NH+](C)C ZINC001303729254 1068284591 /nfs/dbraw/zinc/28/45/91/1068284591.db2.gz YUEITVYGZLXDKI-NRFANRHFSA-N 1 1 472.653 3.287 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303729571 1068284897 /nfs/dbraw/zinc/28/48/97/1068284897.db2.gz VSTRFFKJHRFPBN-JOCHJYFZSA-N 1 1 489.668 3.479 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC(C)(C)C1 ZINC001305179399 1068295349 /nfs/dbraw/zinc/29/53/49/1068295349.db2.gz AOVIMQXOOFXTPB-OTWHNJEPSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC(C)(C)C1 ZINC001305179399 1068295356 /nfs/dbraw/zinc/29/53/56/1068295356.db2.gz AOVIMQXOOFXTPB-OTWHNJEPSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC(C)(C)C1 ZINC001305179398 1068295369 /nfs/dbraw/zinc/29/53/69/1068295369.db2.gz AOVIMQXOOFXTPB-IPMKNSEASA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC(C)(C)C1 ZINC001305179398 1068295377 /nfs/dbraw/zinc/29/53/77/1068295377.db2.gz AOVIMQXOOFXTPB-IPMKNSEASA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)C1CC1 ZINC001303737107 1068295993 /nfs/dbraw/zinc/29/59/93/1068295993.db2.gz NGRCRVYWUKZDKW-YJBOKZPZSA-N 1 1 484.091 3.330 20 0 JGADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303739119 1068299420 /nfs/dbraw/zinc/29/94/20/1068299420.db2.gz XNDYILUIBAUHRJ-SFHVURJKSA-N 1 1 487.624 3.109 20 0 JGADMO C[C@@H](Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001303739211 1068299434 /nfs/dbraw/zinc/29/94/34/1068299434.db2.gz PAXLIPXXRQXIBK-UNMCSNQZSA-N 1 1 488.702 3.100 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1[NH+]1CCOCC1 ZINC001305183733 1068301499 /nfs/dbraw/zinc/30/14/99/1068301499.db2.gz LYXKSDLPXDXKTR-UYAOXDASSA-N 1 1 486.627 3.298 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC001305184914 1068303173 /nfs/dbraw/zinc/30/31/73/1068303173.db2.gz JHDQVSZAPQDWMT-SBHAEUEKSA-N 1 1 492.665 3.075 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC001305184918 1068303311 /nfs/dbraw/zinc/30/33/11/1068303311.db2.gz JHDQVSZAPQDWMT-SVFBPWRDSA-N 1 1 492.665 3.075 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001305185677 1068303702 /nfs/dbraw/zinc/30/37/02/1068303702.db2.gz NQFLIGNZOXQXFZ-SQNIBIBYSA-N 1 1 461.573 3.380 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001303744162 1068304022 /nfs/dbraw/zinc/30/40/22/1068304022.db2.gz AWVLKZAQXZVQFP-QGZVFWFLSA-N 1 1 464.456 3.298 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O)[N@H+]1CCc2ccccc2C1 ZINC001303744972 1068305357 /nfs/dbraw/zinc/30/53/57/1068305357.db2.gz VRCBGYKNKJEANE-JDKSZYQJSA-N 1 1 482.673 3.344 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C[C@H](C(F)(F)F)O1 ZINC001305188103 1068308143 /nfs/dbraw/zinc/30/81/43/1068308143.db2.gz XZQUYHLZEAJXAT-LZJOCLMNSA-N 1 1 491.624 3.231 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)C[C@H](C(F)(F)F)O1 ZINC001305188101 1068308181 /nfs/dbraw/zinc/30/81/81/1068308181.db2.gz XZQUYHLZEAJXAT-CBGDNZLLSA-N 1 1 491.624 3.231 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305189966 1068310812 /nfs/dbraw/zinc/31/08/12/1068310812.db2.gz XIRATTLCXJLWIP-IBGZPJMESA-N 1 1 478.682 3.423 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305189966 1068310831 /nfs/dbraw/zinc/31/08/31/1068310831.db2.gz XIRATTLCXJLWIP-IBGZPJMESA-N 1 1 478.682 3.423 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C(C)(C)C)CC1)CN1CCOCC1 ZINC001303753887 1068316403 /nfs/dbraw/zinc/31/64/03/1068316403.db2.gz FJWCXUGSIXYZAP-IBGZPJMESA-N 1 1 461.054 3.487 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)S1 ZINC001305193812 1068317898 /nfs/dbraw/zinc/31/78/98/1068317898.db2.gz XNUXCLXONNAVLH-RTBURBONSA-N 1 1 460.667 3.364 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)S1 ZINC001305193812 1068317913 /nfs/dbraw/zinc/31/79/13/1068317913.db2.gz XNUXCLXONNAVLH-RTBURBONSA-N 1 1 460.667 3.364 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)S1 ZINC001305193812 1068317922 /nfs/dbraw/zinc/31/79/22/1068317922.db2.gz XNUXCLXONNAVLH-RTBURBONSA-N 1 1 460.667 3.364 20 0 JGADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303758780 1068322579 /nfs/dbraw/zinc/32/25/79/1068322579.db2.gz IDDDHXSMBVAPFD-AVRDEDQJSA-N 1 1 477.600 3.367 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1)CN1CCOCC1 ZINC001303760783 1068327217 /nfs/dbraw/zinc/32/72/17/1068327217.db2.gz XMLCKLOJFYYHPV-QHCPKHFHSA-N 1 1 468.690 3.200 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC001303761048 1068328252 /nfs/dbraw/zinc/32/82/52/1068328252.db2.gz YXSHBGKXAXVNSM-RXVVDRJESA-N 1 1 491.036 3.216 20 0 JGADMO C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001305204273 1068329041 /nfs/dbraw/zinc/32/90/41/1068329041.db2.gz OXPUZIXIZINZSN-GMAHTHKFSA-N 1 1 484.714 3.338 20 0 JGADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303764220 1068333586 /nfs/dbraw/zinc/33/35/86/1068333586.db2.gz RQCJBHDJQLBIJR-UGKGYDQZSA-N 1 1 475.609 3.216 20 0 JGADMO C[C@H]1CN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001305207066 1068334576 /nfs/dbraw/zinc/33/45/76/1068334576.db2.gz JXVRWKLCZGNURC-FQEVSTJZSA-N 1 1 494.606 3.247 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001305207068 1068334664 /nfs/dbraw/zinc/33/46/64/1068334664.db2.gz JXVRWKLCZGNURC-HXUWFJFHSA-N 1 1 494.606 3.247 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001303764594 1068334716 /nfs/dbraw/zinc/33/47/16/1068334716.db2.gz VABPFKFRNVNEGT-XQBPLPMBSA-N 1 1 489.583 3.066 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001303764601 1068334944 /nfs/dbraw/zinc/33/49/44/1068334944.db2.gz VDTRBYBFMSGCQN-IYWMVGAKSA-N 1 1 451.681 3.107 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303765998 1068337671 /nfs/dbraw/zinc/33/76/71/1068337671.db2.gz OUCUQAXMSPTIOQ-AQNXPRMDSA-N 1 1 462.639 3.007 20 0 JGADMO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001305210719 1068340139 /nfs/dbraw/zinc/34/01/39/1068340139.db2.gz QGDKZTNAZZPYCU-OALUTQOASA-N 1 1 474.675 3.109 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001305211954 1068341757 /nfs/dbraw/zinc/34/17/57/1068341757.db2.gz VNMUTHMXLGXPJF-UNMCSNQZSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@@H]1CN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCN1CC(F)(F)F ZINC001305212560 1068342820 /nfs/dbraw/zinc/34/28/20/1068342820.db2.gz WKYWXLIGSOCBFA-GOSISDBHSA-N 1 1 472.600 3.194 20 0 JGADMO C[C@@H]1CN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CCN1CC(F)(F)F ZINC001305212560 1068342835 /nfs/dbraw/zinc/34/28/35/1068342835.db2.gz WKYWXLIGSOCBFA-GOSISDBHSA-N 1 1 472.600 3.194 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001303772078 1068349905 /nfs/dbraw/zinc/34/99/05/1068349905.db2.gz UNKCQBWQTYJMHJ-KGLIPLIRSA-N 1 1 458.003 3.090 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303772207 1068350001 /nfs/dbraw/zinc/35/00/01/1068350001.db2.gz WSLWIPSAZYDNLL-DOTOQJQBSA-N 1 1 463.007 3.242 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001305217714 1068354024 /nfs/dbraw/zinc/35/40/24/1068354024.db2.gz TYOSJAPTJPZHES-BJLQDIEVSA-N 1 1 462.639 3.448 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001303779198 1068356705 /nfs/dbraw/zinc/35/67/05/1068356705.db2.gz PUOFOJHZCLTLJH-IBGZPJMESA-N 1 1 459.660 3.253 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001303779198 1068356715 /nfs/dbraw/zinc/35/67/15/1068356715.db2.gz PUOFOJHZCLTLJH-IBGZPJMESA-N 1 1 459.660 3.253 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCc2cnccn2)CCCO1 ZINC001305219604 1068357154 /nfs/dbraw/zinc/35/71/54/1068357154.db2.gz BUTMOOZKSMSJFN-YMPZKCBVSA-N 1 1 485.677 3.167 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cn1 ZINC001305221038 1068359203 /nfs/dbraw/zinc/35/92/03/1068359203.db2.gz IISXPWULUNAIBQ-PZJWPPBQSA-N 1 1 457.623 3.180 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CC2CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305221573 1068360554 /nfs/dbraw/zinc/36/05/54/1068360554.db2.gz IDKOYPPIMNFCNH-DOTOQJQBSA-N 1 1 454.566 3.064 20 0 JGADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305221773 1068361210 /nfs/dbraw/zinc/36/12/10/1068361210.db2.gz MBKGRUFWFMSWRV-HAGHYFMRSA-N 1 1 478.682 3.424 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)N(C)C ZINC001305222324 1068361915 /nfs/dbraw/zinc/36/19/15/1068361915.db2.gz KAUYSCWMHFVZFK-HIFRSBDPSA-N 1 1 481.826 3.122 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303783381 1068364429 /nfs/dbraw/zinc/36/44/29/1068364429.db2.gz RPMSAAKCBILATL-DENIHFKCSA-N 1 1 486.686 3.271 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303783381 1068364444 /nfs/dbraw/zinc/36/44/44/1068364444.db2.gz RPMSAAKCBILATL-DENIHFKCSA-N 1 1 486.686 3.271 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CC(C)(C)C)n1CCCS(=O)(=O)c1ccccc1 ZINC001305223730 1068365297 /nfs/dbraw/zinc/36/52/97/1068365297.db2.gz PJYZIZHUHQRELY-PMACEKPBSA-N 1 1 459.660 3.404 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CC(C)(C)C)n1CCCS(=O)(=O)c1ccccc1 ZINC001305223732 1068365592 /nfs/dbraw/zinc/36/55/92/1068365592.db2.gz PJYZIZHUHQRELY-VQTJNVASSA-N 1 1 459.660 3.404 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCC(CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305224757 1068367591 /nfs/dbraw/zinc/36/75/91/1068367591.db2.gz YTIIAZXXKAQOQD-OAQYLSRUSA-N 1 1 474.694 3.305 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305226347 1068370268 /nfs/dbraw/zinc/37/02/68/1068370268.db2.gz YPXJVSCAXZCESW-HKUYNNGSSA-N 1 1 491.587 3.097 20 0 JGADMO C[C@@H]1COCCN1c1nnc(-c2cccc(Br)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305226468 1068370805 /nfs/dbraw/zinc/37/08/05/1068370805.db2.gz ALXVRCXUKJWWDA-GOSISDBHSA-N 1 1 491.478 3.206 20 0 JGADMO C[C@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305231929 1068378167 /nfs/dbraw/zinc/37/81/67/1068378167.db2.gz XVLZIRSHTMLVQM-INIZCTEOSA-N 1 1 495.441 3.098 20 0 JGADMO C[C@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305231929 1068378188 /nfs/dbraw/zinc/37/81/88/1068378188.db2.gz XVLZIRSHTMLVQM-INIZCTEOSA-N 1 1 495.441 3.098 20 0 JGADMO C[C@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305231929 1068378207 /nfs/dbraw/zinc/37/82/07/1068378207.db2.gz XVLZIRSHTMLVQM-INIZCTEOSA-N 1 1 495.441 3.098 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001305233979 1068381097 /nfs/dbraw/zinc/38/10/97/1068381097.db2.gz JCVZRNSVYRSOLD-IBGZPJMESA-N 1 1 454.550 3.105 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001305233979 1068381107 /nfs/dbraw/zinc/38/11/07/1068381107.db2.gz JCVZRNSVYRSOLD-IBGZPJMESA-N 1 1 454.550 3.105 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001305234193 1068381759 /nfs/dbraw/zinc/38/17/59/1068381759.db2.gz LZYQUIIXCRVMHL-UAIZEJDJSA-N 1 1 489.045 3.088 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001305234193 1068381774 /nfs/dbraw/zinc/38/17/74/1068381774.db2.gz LZYQUIIXCRVMHL-UAIZEJDJSA-N 1 1 489.045 3.088 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCSC[C@@H]1C ZINC001305234113 1068382225 /nfs/dbraw/zinc/38/22/25/1068382225.db2.gz KWXNOYPUJUEAJV-CVEARBPZSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCSC[C@@H]1C ZINC001305234113 1068382237 /nfs/dbraw/zinc/38/22/37/1068382237.db2.gz KWXNOYPUJUEAJV-CVEARBPZSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305234116 1068382679 /nfs/dbraw/zinc/38/26/79/1068382679.db2.gz KWXNOYPUJUEAJV-JKSUJKDBSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305234116 1068382692 /nfs/dbraw/zinc/38/26/92/1068382692.db2.gz KWXNOYPUJUEAJV-JKSUJKDBSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCCCO ZINC001305234659 1068384570 /nfs/dbraw/zinc/38/45/70/1068384570.db2.gz UVQZSIDIOHFRJY-INIZCTEOSA-N 1 1 484.414 3.166 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCCCO ZINC001305234659 1068384588 /nfs/dbraw/zinc/38/45/88/1068384588.db2.gz UVQZSIDIOHFRJY-INIZCTEOSA-N 1 1 484.414 3.166 20 0 JGADMO C[C@@H]1N(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(CC[NH+](C)C)CC2)CCOC1(C)C ZINC001305241715 1068392011 /nfs/dbraw/zinc/39/20/11/1068392011.db2.gz OCUMAOCKNCWBQA-SFHVURJKSA-N 1 1 476.069 3.271 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001303801510 1068397702 /nfs/dbraw/zinc/39/77/02/1068397702.db2.gz WVJCGMYYXOZPHL-CEWLAPEOSA-N 1 1 476.666 3.132 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC[N@@H+](C)C1CCCCC1 ZINC001303805488 1068408119 /nfs/dbraw/zinc/40/81/19/1068408119.db2.gz DMPVGPKHPZYCQO-GCJKJVERSA-N 1 1 474.675 3.277 20 0 JGADMO C[C@@H]1SCCN(c2nnc([C@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC001305250415 1068409320 /nfs/dbraw/zinc/40/93/20/1068409320.db2.gz AMKVERIYSQXEDK-IRFCIJBXSA-N 1 1 450.697 3.124 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303808221 1068414902 /nfs/dbraw/zinc/41/49/02/1068414902.db2.gz CQFRALBEUOYIGF-ZBFHGGJFSA-N 1 1 496.012 3.091 20 0 JGADMO C[C@@H]1SCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOCC2(C)C)[C@H]1C ZINC001305257188 1068421056 /nfs/dbraw/zinc/42/10/56/1068421056.db2.gz SYXHFAGUSSDAEW-HOTGVXAUSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H]1SCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOCC2(C)C)[C@H]1C ZINC001305257188 1068421062 /nfs/dbraw/zinc/42/10/62/1068421062.db2.gz SYXHFAGUSSDAEW-HOTGVXAUSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303812492 1068423054 /nfs/dbraw/zinc/42/30/54/1068423054.db2.gz ZDUFGBVGXSYFMK-VQIMIIECSA-N 1 1 483.082 3.299 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001305258946 1068425055 /nfs/dbraw/zinc/42/50/55/1068425055.db2.gz YCBUVIJIDHIELI-UXHICEINSA-N 1 1 456.660 3.366 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305262254 1068432869 /nfs/dbraw/zinc/43/28/69/1068432869.db2.gz AUTHTJBZIPHJMT-UPVQGACJSA-N 1 1 498.672 3.017 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001305263459 1068437205 /nfs/dbraw/zinc/43/72/05/1068437205.db2.gz CWPMMLUFNMZGRP-FCHUYYIVSA-N 1 1 453.635 3.023 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001305264024 1068440534 /nfs/dbraw/zinc/44/05/34/1068440534.db2.gz HQOWYTMUJNLEKO-FDFHNCONSA-N 1 1 460.667 3.035 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001305264531 1068442454 /nfs/dbraw/zinc/44/24/54/1068442454.db2.gz GOVAWMWTXXZBQY-VXKWHMMOSA-N 1 1 456.610 3.377 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001305265713 1068446793 /nfs/dbraw/zinc/44/67/93/1068446793.db2.gz IBEHIEQRNFNMFH-SFTDATJTSA-N 1 1 454.619 3.002 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCCCN2CC[NH+](CC)CC2)C1 ZINC001305265793 1068447412 /nfs/dbraw/zinc/44/74/12/1068447412.db2.gz NELSUHUJMSMXQN-HSZRJFAPSA-N 1 1 481.689 3.166 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303828398 1068448915 /nfs/dbraw/zinc/44/89/15/1068448915.db2.gz VMSOPLFZLSDFLW-QYZOEREBSA-N 1 1 460.648 3.234 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001305266346 1068449533 /nfs/dbraw/zinc/44/95/33/1068449533.db2.gz ILPWGLNIWNWAMH-REWPJTCUSA-N 1 1 468.646 3.167 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001305266532 1068450165 /nfs/dbraw/zinc/45/01/65/1068450165.db2.gz LENCYIIQBCJCNW-UNMCSNQZSA-N 1 1 467.662 3.269 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001305266425 1068450228 /nfs/dbraw/zinc/45/02/28/1068450228.db2.gz IPXVQORFJFWMEG-XLIONFOSSA-N 1 1 450.591 3.224 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001303829964 1068453371 /nfs/dbraw/zinc/45/33/71/1068453371.db2.gz GCFBOPCEZJLVPQ-LGGPRVQUSA-N 1 1 492.665 3.127 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303830940 1068455448 /nfs/dbraw/zinc/45/54/48/1068455448.db2.gz MQPYVZOJQHDPJQ-DXGJXXFVSA-N 1 1 488.702 3.424 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305269092 1068460101 /nfs/dbraw/zinc/46/01/01/1068460101.db2.gz TXOKKTFJMZSEFA-UXHICEINSA-N 1 1 453.635 3.346 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001305270871 1068467170 /nfs/dbraw/zinc/46/71/70/1068467170.db2.gz XYJQPWZPFJYZBX-NRFANRHFSA-N 1 1 465.577 3.106 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001305272243 1068471139 /nfs/dbraw/zinc/47/11/39/1068471139.db2.gz TUHJYVIEJOLMKJ-RTWAWAEBSA-N 1 1 454.619 3.145 20 0 JGADMO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC001303849945 1068484863 /nfs/dbraw/zinc/48/48/63/1068484863.db2.gz XEDMMTWOERMNEY-CQSZACIVSA-N 1 1 457.987 3.459 20 0 JGADMO CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001305288939 1068491908 /nfs/dbraw/zinc/49/19/08/1068491908.db2.gz URLJGLBPBLVXCQ-XUZZJYLKSA-N 1 1 482.673 3.325 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC1CC(C)(C)C1 ZINC001303855910 1068495830 /nfs/dbraw/zinc/49/58/30/1068495830.db2.gz BNLPFOSJJULMFR-IBGZPJMESA-N 1 1 474.675 3.037 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(F)CCC2)CC1 ZINC001303859012 1068499955 /nfs/dbraw/zinc/49/99/55/1068499955.db2.gz HHWNHRWUHJEBCO-DLBZAZTESA-N 1 1 484.667 3.115 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001303864977 1068502348 /nfs/dbraw/zinc/50/23/48/1068502348.db2.gz KILPJDSJWVSWKY-ICSRJNTNSA-N 1 1 492.665 3.176 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001305301591 1068510361 /nfs/dbraw/zinc/51/03/61/1068510361.db2.gz PYBPRROHXLATBH-VGOFRKELSA-N 1 1 478.435 3.027 20 0 JGADMO CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305301876 1068510774 /nfs/dbraw/zinc/51/07/74/1068510774.db2.gz VVYNOSSTVGRHRB-PUFAWVJESA-N 1 1 476.666 3.227 20 0 JGADMO C[C@](O)(C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CC1)C(F)(F)F ZINC001303875927 1068510754 /nfs/dbraw/zinc/51/07/54/1068510754.db2.gz DNFPHIWHSWNKTP-JPYJTQIMSA-N 1 1 499.553 3.461 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303877220 1068511632 /nfs/dbraw/zinc/51/16/32/1068511632.db2.gz LTDUXRJFGAWIIC-LEEZEASISA-N 1 1 474.675 3.179 20 0 JGADMO CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001305306193 1068513708 /nfs/dbraw/zinc/51/37/08/1068513708.db2.gz HSBXBOOHVXOIFR-MHECFPHRSA-N 1 1 462.038 3.373 20 0 JGADMO CC[C@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001305307804 1068515943 /nfs/dbraw/zinc/51/59/43/1068515943.db2.gz BXJRRCFJUWUYMO-RPWUZVMVSA-N 1 1 459.660 3.341 20 0 JGADMO CC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305311099 1068520851 /nfs/dbraw/zinc/52/08/51/1068520851.db2.gz JJBSRGJQNFKEBQ-RUZDIDTESA-N 1 1 482.654 3.143 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303887090 1068524653 /nfs/dbraw/zinc/52/46/53/1068524653.db2.gz FGSYDEYKKDHPOT-IAGOWNOFSA-N 1 1 486.617 3.377 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303887090 1068524663 /nfs/dbraw/zinc/52/46/63/1068524663.db2.gz FGSYDEYKKDHPOT-IAGOWNOFSA-N 1 1 486.617 3.377 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305314356 1068527945 /nfs/dbraw/zinc/52/79/45/1068527945.db2.gz OLZZZXBMOFLQTF-QOAPGFADSA-N 1 1 471.646 3.353 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305314356 1068527952 /nfs/dbraw/zinc/52/79/52/1068527952.db2.gz OLZZZXBMOFLQTF-QOAPGFADSA-N 1 1 471.646 3.353 20 0 JGADMO Cc1[nH]c(CNC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)c(C)[nH+]1 ZINC001303892102 1068530127 /nfs/dbraw/zinc/53/01/27/1068530127.db2.gz UESUCRUHJXZVNI-UHFFFAOYSA-N 1 1 458.971 3.357 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001303893228 1068531039 /nfs/dbraw/zinc/53/10/39/1068531039.db2.gz PVHKYBYIPVKZCG-ROUUACIJSA-N 1 1 472.609 3.392 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCSCCCO ZINC001303895837 1068534436 /nfs/dbraw/zinc/53/44/36/1068534436.db2.gz SRJHGPHIWPUCEC-BJLQDIEVSA-N 1 1 463.623 3.346 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001305321705 1068539507 /nfs/dbraw/zinc/53/95/07/1068539507.db2.gz ZQWVBBALXBIEEJ-JVFUWBCBSA-N 1 1 457.619 3.434 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303899935 1068542899 /nfs/dbraw/zinc/54/28/99/1068542899.db2.gz XHQKYWMBZWFISI-LQWHRVPQSA-N 1 1 472.609 3.379 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303899945 1068542918 /nfs/dbraw/zinc/54/29/18/1068542918.db2.gz XJYSCMUCMITEMB-CNNODRBYSA-N 1 1 493.649 3.445 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001303902323 1068546010 /nfs/dbraw/zinc/54/60/10/1068546010.db2.gz WJWWGRGEDMIUFY-PZJWPPBQSA-N 1 1 472.609 3.489 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303903697 1068547533 /nfs/dbraw/zinc/54/75/33/1068547533.db2.gz TYNUOGULLYKMEW-GOSISDBHSA-N 1 1 463.623 3.248 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001303904012 1068548055 /nfs/dbraw/zinc/54/80/55/1068548055.db2.gz VJKOGRHGAFZGJQ-GLDPYIMESA-N 1 1 461.582 3.282 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001303904020 1068548177 /nfs/dbraw/zinc/54/81/77/1068548177.db2.gz VJKOGRHGAFZGJQ-XLNZFTOWSA-N 1 1 461.582 3.282 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001303908951 1068555959 /nfs/dbraw/zinc/55/59/59/1068555959.db2.gz HCGWZIYTRCNHAU-ZIFCJYIRSA-N 1 1 482.050 3.179 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCC(=O)N(C)C ZINC001303910012 1068557775 /nfs/dbraw/zinc/55/77/75/1068557775.db2.gz LLSPZZGLGPKLKL-JENIJYKNSA-N 1 1 461.010 3.223 20 0 JGADMO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCS(C)(=O)=O)CC1 ZINC001303912562 1068560885 /nfs/dbraw/zinc/56/08/85/1068560885.db2.gz PLLNXJVJJRCLHB-GOSISDBHSA-N 1 1 484.066 3.427 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCS(C)(=O)=O)CC1 ZINC001303912562 1068560896 /nfs/dbraw/zinc/56/08/96/1068560896.db2.gz PLLNXJVJJRCLHB-GOSISDBHSA-N 1 1 484.066 3.427 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001305332533 1068561200 /nfs/dbraw/zinc/56/12/00/1068561200.db2.gz YZBOHICMPYNJNS-CUVVAGTFSA-N 1 1 468.646 3.391 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001305333273 1068563255 /nfs/dbraw/zinc/56/32/55/1068563255.db2.gz DKPIFEJSRZRRPC-QTLGCAHFSA-N 1 1 459.610 3.106 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305335028 1068565528 /nfs/dbraw/zinc/56/55/28/1068565528.db2.gz VCFZTMVFXVBTIA-QQQKFWQGSA-N 1 1 460.667 3.117 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001303915738 1068566690 /nfs/dbraw/zinc/56/66/90/1068566690.db2.gz VPOXGKPYVZFURO-UEXGIBASSA-N 1 1 475.037 3.374 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303916192 1068567767 /nfs/dbraw/zinc/56/77/67/1068567767.db2.gz DJZOJOQSLSSWLF-UYAOXDASSA-N 1 1 493.649 3.445 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305336905 1068569160 /nfs/dbraw/zinc/56/91/60/1068569160.db2.gz BZRLPMZGYMPUKU-XMERXJNXSA-N 1 1 489.636 3.483 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303917055 1068569216 /nfs/dbraw/zinc/56/92/16/1068569216.db2.gz PATMQENZOVCXHT-YESZJQIVSA-N 1 1 455.538 3.031 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303918179 1068570193 /nfs/dbraw/zinc/57/01/93/1068570193.db2.gz XGJMQNPJSPTHGV-HJPURHCSSA-N 1 1 474.968 3.309 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCc1ccn(C)n1 ZINC001303922493 1068573815 /nfs/dbraw/zinc/57/38/15/1068573815.db2.gz LDQKDJLGQFTJLP-LJQANCHMSA-N 1 1 485.608 3.080 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCc1ccn(C)n1 ZINC001303922493 1068573830 /nfs/dbraw/zinc/57/38/30/1068573830.db2.gz LDQKDJLGQFTJLP-LJQANCHMSA-N 1 1 485.608 3.080 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001303925109 1068580467 /nfs/dbraw/zinc/58/04/67/1068580467.db2.gz QAHSZBUSXRTLNW-IBGZPJMESA-N 1 1 470.593 3.301 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001303925780 1068581870 /nfs/dbraw/zinc/58/18/70/1068581870.db2.gz FGWKXLYYVPTAJO-MOPGFXCFSA-N 1 1 493.649 3.303 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001303926353 1068584530 /nfs/dbraw/zinc/58/45/30/1068584530.db2.gz KMKVVTMBGUVESP-GOSISDBHSA-N 1 1 495.603 3.410 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001305346226 1068585988 /nfs/dbraw/zinc/58/59/88/1068585988.db2.gz HNVXSPOHEBABEO-SXWKCWPCSA-N 1 1 457.619 3.173 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305346222 1068586156 /nfs/dbraw/zinc/58/61/56/1068586156.db2.gz HNVXSPOHEBABEO-MZKRTTBSSA-N 1 1 457.619 3.173 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305347687 1068588404 /nfs/dbraw/zinc/58/84/04/1068588404.db2.gz BJLTUJMDHZXCCU-FDDCHVKYSA-N 1 1 466.634 3.074 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303931837 1068589657 /nfs/dbraw/zinc/58/96/57/1068589657.db2.gz KORWVBMTQNTDNS-UXHICEINSA-N 1 1 472.609 3.490 20 0 JGADMO CC[C@@H](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305351369 1068595768 /nfs/dbraw/zinc/59/57/68/1068595768.db2.gz LXDMVNZEXYLMCU-VGSWGCGISA-N 1 1 454.623 3.007 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303938538 1068597552 /nfs/dbraw/zinc/59/75/52/1068597552.db2.gz TYDNZOGSWRGUKO-RBUKOAKNSA-N 1 1 479.622 3.057 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)OC ZINC001305354985 1068602766 /nfs/dbraw/zinc/60/27/66/1068602766.db2.gz UQUQHQAOCUVIKF-QESAQDPVSA-N 1 1 454.619 3.001 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)OC ZINC001305354984 1068602824 /nfs/dbraw/zinc/60/28/24/1068602824.db2.gz UQUQHQAOCUVIKF-PDGJWGCVSA-N 1 1 454.619 3.001 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001305358602 1068609544 /nfs/dbraw/zinc/60/95/44/1068609544.db2.gz DHJUNMLSVGGEHK-CSGUBPAMSA-N 1 1 459.610 3.226 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)OC ZINC001305358748 1068610115 /nfs/dbraw/zinc/61/01/15/1068610115.db2.gz HXYQSWQRCTZNET-WMIMKTLMSA-N 1 1 471.646 3.384 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001305359726 1068611916 /nfs/dbraw/zinc/61/19/16/1068611916.db2.gz GLBWAYLZUAVCMJ-SWHJIRTISA-N 1 1 459.610 3.370 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001305382793 1068633147 /nfs/dbraw/zinc/63/31/47/1068633147.db2.gz BKTBRPJRCWWGJE-AUSIDOKSSA-N 1 1 451.619 3.167 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCC[NH+]1CCN(CC)CC1 ZINC001305386006 1068634500 /nfs/dbraw/zinc/63/45/00/1068634500.db2.gz RNDYBTFKLOIOSJ-QGZVFWFLSA-N 1 1 470.588 3.208 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC001305398240 1068640682 /nfs/dbraw/zinc/64/06/82/1068640682.db2.gz KVKMQNXHAUYUEU-UNMCSNQZSA-N 1 1 488.677 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC001305398240 1068640687 /nfs/dbraw/zinc/64/06/87/1068640687.db2.gz KVKMQNXHAUYUEU-UNMCSNQZSA-N 1 1 488.677 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305409991 1068648713 /nfs/dbraw/zinc/64/87/13/1068648713.db2.gz KVWJLNPAWGJZIG-KNOXWWKRSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1cccc(F)c1 ZINC001305412075 1068650581 /nfs/dbraw/zinc/65/05/81/1068650581.db2.gz NRSHRLJMUIVINY-SFYKDHMMSA-N 1 1 456.610 3.162 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001305423767 1068658862 /nfs/dbraw/zinc/65/88/62/1068658862.db2.gz APGNZDGRCSMNHZ-HZPDHXFCSA-N 1 1 456.557 3.171 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NC)CC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305426050 1068662348 /nfs/dbraw/zinc/66/23/48/1068662348.db2.gz NDZQHTRCUFQHNR-MRXNPFEDSA-N 1 1 453.566 3.436 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305426564 1068663528 /nfs/dbraw/zinc/66/35/28/1068663528.db2.gz PLGAUESPTNYNJX-FCHUYYIVSA-N 1 1 487.737 3.483 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1Cc1ccc(OC)c(O)c1 ZINC001305438467 1068673900 /nfs/dbraw/zinc/67/39/00/1068673900.db2.gz HABZXVSCCVXJRE-FQEVSTJZSA-N 1 1 498.672 3.325 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001305438229 1068673942 /nfs/dbraw/zinc/67/39/42/1068673942.db2.gz SINZMWWBOZVNDM-WMTXJRDZSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCCc1c[nH]nc1C ZINC001305439024 1068674607 /nfs/dbraw/zinc/67/46/07/1068674607.db2.gz KIFOXKGMAQARSC-HXUWFJFHSA-N 1 1 484.693 3.227 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305444469 1068679581 /nfs/dbraw/zinc/67/95/81/1068679581.db2.gz SLBMKRUVPHVUPJ-HBMCJLEFSA-N 1 1 478.682 3.332 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305445997 1068680308 /nfs/dbraw/zinc/68/03/08/1068680308.db2.gz TYNJIBKKDONENZ-GBXCKJPGSA-N 1 1 498.720 3.464 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305453237 1068690279 /nfs/dbraw/zinc/69/02/79/1068690279.db2.gz FINHXRIRFLWDNI-WOJBJXKFSA-N 1 1 488.702 3.147 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305453471 1068690659 /nfs/dbraw/zinc/69/06/59/1068690659.db2.gz AYWPGZRGGYKXMT-FXAWDEMLSA-N 1 1 457.623 3.361 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305454879 1068694121 /nfs/dbraw/zinc/69/41/21/1068694121.db2.gz ASXSVVIBQCJKIY-ICSRJNTNSA-N 1 1 495.594 3.392 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305456545 1068696633 /nfs/dbraw/zinc/69/66/33/1068696633.db2.gz GBEOVJOZTWDZLQ-HKUYNNGSSA-N 1 1 463.577 3.053 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001305456685 1068697226 /nfs/dbraw/zinc/69/72/26/1068697226.db2.gz GTFIOFAYEQBOEJ-OAQYLSRUSA-N 1 1 499.679 3.356 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305459556 1068701668 /nfs/dbraw/zinc/70/16/68/1068701668.db2.gz ZVYCDFWIHGAGHE-HXUWFJFHSA-N 1 1 468.646 3.301 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001305459556 1068701677 /nfs/dbraw/zinc/70/16/77/1068701677.db2.gz ZVYCDFWIHGAGHE-HXUWFJFHSA-N 1 1 468.646 3.301 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](c1ccco1)N(C)C ZINC001305459842 1068702359 /nfs/dbraw/zinc/70/23/59/1068702359.db2.gz SVQRGJJHPLVGLO-FKBYEOEOSA-N 1 1 457.667 3.292 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305459989 1068702681 /nfs/dbraw/zinc/70/26/81/1068702681.db2.gz REMPIWUJNTVFCM-SLFFLAALSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305462774 1068706136 /nfs/dbraw/zinc/70/61/36/1068706136.db2.gz HKRNIEKLGGFSES-SLFFLAALSA-N 1 1 483.661 3.454 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC=C(Br)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001305471845 1068714298 /nfs/dbraw/zinc/71/42/98/1068714298.db2.gz FOWVXYGCWDKCFO-OXQOHEQNSA-N 1 1 470.481 3.488 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305482495 1068719354 /nfs/dbraw/zinc/71/93/54/1068719354.db2.gz RYGBTVGUQMLUIH-UNMCSNQZSA-N 1 1 456.683 3.183 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001305488597 1068726471 /nfs/dbraw/zinc/72/64/71/1068726471.db2.gz KKKQOSIJVBJWDF-UGKGYDQZSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001305488597 1068726475 /nfs/dbraw/zinc/72/64/75/1068726475.db2.gz KKKQOSIJVBJWDF-UGKGYDQZSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](OCCOC)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305493434 1068731692 /nfs/dbraw/zinc/73/16/92/1068731692.db2.gz ZSICUGBTLVTVFA-GHTZIAJQSA-N 1 1 453.591 3.361 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001305506236 1068742543 /nfs/dbraw/zinc/74/25/43/1068742543.db2.gz SCBBVMMABRUXSN-PWRODBHTSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001305506236 1068742551 /nfs/dbraw/zinc/74/25/51/1068742551.db2.gz SCBBVMMABRUXSN-PWRODBHTSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001305506230 1068742714 /nfs/dbraw/zinc/74/27/14/1068742714.db2.gz SCBBVMMABRUXSN-ACRUOGEOSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001305506230 1068742727 /nfs/dbraw/zinc/74/27/27/1068742727.db2.gz SCBBVMMABRUXSN-ACRUOGEOSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001305506233 1068742808 /nfs/dbraw/zinc/74/28/08/1068742808.db2.gz SCBBVMMABRUXSN-KJJMTIBFSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001305506233 1068742818 /nfs/dbraw/zinc/74/28/18/1068742818.db2.gz SCBBVMMABRUXSN-KJJMTIBFSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@@]1(C)CCCS1 ZINC001305507236 1068743810 /nfs/dbraw/zinc/74/38/10/1068743810.db2.gz YYUXUXBJJMHUMY-WMZHIEFXSA-N 1 1 450.697 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@@]1(C)CCCS1 ZINC001305507236 1068743816 /nfs/dbraw/zinc/74/38/16/1068743816.db2.gz YYUXUXBJJMHUMY-WMZHIEFXSA-N 1 1 450.697 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001305506936 1068744140 /nfs/dbraw/zinc/74/41/40/1068744140.db2.gz XETQRLVVOOSNRG-VXKWHMMOSA-N 1 1 498.672 3.402 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001305506936 1068744150 /nfs/dbraw/zinc/74/41/50/1068744150.db2.gz XETQRLVVOOSNRG-VXKWHMMOSA-N 1 1 498.672 3.402 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CCC[NH+]1CCOCC1 ZINC001305509745 1068749127 /nfs/dbraw/zinc/74/91/27/1068749127.db2.gz MEEFCRGWHJJILG-SFHVURJKSA-N 1 1 493.027 3.269 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305510352 1068749780 /nfs/dbraw/zinc/74/97/80/1068749780.db2.gz PCJHIQNDVKNEHM-GOSISDBHSA-N 1 1 490.599 3.143 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001305510352 1068749787 /nfs/dbraw/zinc/74/97/87/1068749787.db2.gz PCJHIQNDVKNEHM-GOSISDBHSA-N 1 1 490.599 3.143 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305511570 1068752916 /nfs/dbraw/zinc/75/29/16/1068752916.db2.gz CSHJZTYRABSUGZ-YADHBBJMSA-N 1 1 482.673 3.423 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305511567 1068753006 /nfs/dbraw/zinc/75/30/06/1068753006.db2.gz CSHJZTYRABSUGZ-FGZHOGPDSA-N 1 1 482.673 3.423 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305512829 1068754680 /nfs/dbraw/zinc/75/46/80/1068754680.db2.gz VQJAGFGAGPRPIL-JOCHJYFZSA-N 1 1 481.689 3.028 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCc1cccc(F)c1 ZINC001305512682 1068755564 /nfs/dbraw/zinc/75/55/64/1068755564.db2.gz HLLFFGQOAVHNCB-KNQAVFIVSA-N 1 1 456.610 3.306 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512672 1068755650 /nfs/dbraw/zinc/75/56/50/1068755650.db2.gz HLDMRHNVOPUGPD-NFBKMPQASA-N 1 1 484.645 3.012 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001305513189 1068757456 /nfs/dbraw/zinc/75/74/56/1068757456.db2.gz IZYCOWJLFFOFBI-WIYYLYMNSA-N 1 1 489.064 3.439 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305514552 1068760543 /nfs/dbraw/zinc/76/05/43/1068760543.db2.gz PUKMUQUSQITLMQ-CTNGQTDRSA-N 1 1 456.610 3.306 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305514554 1068760646 /nfs/dbraw/zinc/76/06/46/1068760646.db2.gz PUKMUQUSQITLMQ-FPOVZHCZSA-N 1 1 456.610 3.306 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305519055 1068769353 /nfs/dbraw/zinc/76/93/53/1068769353.db2.gz PDEXHMATOWGQGH-FKBYEOEOSA-N 1 1 473.710 3.093 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001305520115 1068771242 /nfs/dbraw/zinc/77/12/42/1068771242.db2.gz GLEWSQWIOCZSHF-ZWKOTPCHSA-N 1 1 460.648 3.018 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001305520114 1068771400 /nfs/dbraw/zinc/77/14/00/1068771400.db2.gz GLEWSQWIOCZSHF-ROUUACIJSA-N 1 1 460.648 3.018 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305525555 1068779095 /nfs/dbraw/zinc/77/90/95/1068779095.db2.gz IHNJXAMTGFHUBN-UYAOXDASSA-N 1 1 462.042 3.013 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305528005 1068782018 /nfs/dbraw/zinc/78/20/18/1068782018.db2.gz ROTZKFCVHDCKNJ-FQEVSTJZSA-N 1 1 489.112 3.440 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305528620 1068782950 /nfs/dbraw/zinc/78/29/50/1068782950.db2.gz VGPVHQCFAAFJOM-IBGZPJMESA-N 1 1 474.625 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001305528620 1068782956 /nfs/dbraw/zinc/78/29/56/1068782956.db2.gz VGPVHQCFAAFJOM-IBGZPJMESA-N 1 1 474.625 3.377 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305528621 1068782979 /nfs/dbraw/zinc/78/29/79/1068782979.db2.gz VGPVHQCFAAFJOM-LJQANCHMSA-N 1 1 474.625 3.377 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001305528621 1068782989 /nfs/dbraw/zinc/78/29/89/1068782989.db2.gz VGPVHQCFAAFJOM-LJQANCHMSA-N 1 1 474.625 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC1(OCCOC)CCOCC1 ZINC001305531322 1068787407 /nfs/dbraw/zinc/78/74/07/1068787407.db2.gz UDWLBAMWICZIOU-RTWAWAEBSA-N 1 1 463.667 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001305534338 1068794064 /nfs/dbraw/zinc/79/40/64/1068794064.db2.gz JUHXBTPFEZFAMJ-ZWKOTPCHSA-N 1 1 455.607 3.020 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305534816 1068794755 /nfs/dbraw/zinc/79/47/55/1068794755.db2.gz IWBGNKONSFOASK-SGNDLWITSA-N 1 1 487.737 3.437 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305539395 1068807093 /nfs/dbraw/zinc/80/70/93/1068807093.db2.gz RHSPEFYAPSLDAY-IPMKNSEASA-N 1 1 460.589 3.221 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001305540679 1068810473 /nfs/dbraw/zinc/81/04/73/1068810473.db2.gz DLOIDEDTYLVJGO-SLFFLAALSA-N 1 1 464.655 3.348 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccc(Br)n1 ZINC001305542645 1068815680 /nfs/dbraw/zinc/81/56/80/1068815680.db2.gz OYVFZXVFDJUHGU-FUHWJXTLSA-N 1 1 463.424 3.298 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)s1 ZINC001305543161 1068817199 /nfs/dbraw/zinc/81/71/99/1068817199.db2.gz HRAQEWGCGOTAGL-CTNGQTDRSA-N 1 1 460.692 3.441 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1cccc(OC)c1 ZINC001305544577 1068820612 /nfs/dbraw/zinc/82/06/12/1068820612.db2.gz RAPCHACQMFPIHG-RCZVLFRGSA-N 1 1 484.689 3.274 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1csc(C)c1 ZINC001305544386 1068820650 /nfs/dbraw/zinc/82/06/50/1068820650.db2.gz PLHCQPWIAKFTRS-KNQAVFIVSA-N 1 1 460.692 3.441 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CC=CCO1 ZINC001305545179 1068822707 /nfs/dbraw/zinc/82/27/07/1068822707.db2.gz VOOOTHRZFYPNSX-LADGPHEKSA-N 1 1 452.647 3.391 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001305548393 1068827686 /nfs/dbraw/zinc/82/76/86/1068827686.db2.gz UEETWMSUBJSNFX-PMACEKPBSA-N 1 1 476.691 3.150 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305550661 1068829276 /nfs/dbraw/zinc/82/92/76/1068829276.db2.gz JMOOEEPOHKIAAR-ONTIZHBOSA-N 1 1 481.645 3.175 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305551988 1068831037 /nfs/dbraw/zinc/83/10/37/1068831037.db2.gz IBBFEEPIMFONLQ-GMAHTHKFSA-N 1 1 455.651 3.260 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305552288 1068831349 /nfs/dbraw/zinc/83/13/49/1068831349.db2.gz CFTSZQJCPKDGSX-IMSXRSKXSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305556269 1068834214 /nfs/dbraw/zinc/83/42/14/1068834214.db2.gz MEGOPNHMZIOVSC-WWPVKYPJSA-N 1 1 486.636 3.451 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](CC)C1CC1 ZINC001305557855 1068835338 /nfs/dbraw/zinc/83/53/38/1068835338.db2.gz FDORBUFTRRFEQQ-PKOBYXMFSA-N 1 1 450.628 3.006 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305576798 1068849271 /nfs/dbraw/zinc/84/92/71/1068849271.db2.gz HRPCHFYSMFVVRU-WOJBJXKFSA-N 1 1 477.675 3.332 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305576789 1068849362 /nfs/dbraw/zinc/84/93/62/1068849362.db2.gz HRPCHFYSMFVVRU-PMACEKPBSA-N 1 1 477.675 3.332 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305581016 1068852610 /nfs/dbraw/zinc/85/26/10/1068852610.db2.gz YBCGNVKFZJHOLS-RTBURBONSA-N 1 1 485.658 3.137 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305581340 1068852650 /nfs/dbraw/zinc/85/26/50/1068852650.db2.gz WWBILGITTNXKKZ-JKSUJKDBSA-N 1 1 453.429 3.249 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305587476 1068856938 /nfs/dbraw/zinc/85/69/38/1068856938.db2.gz QFMWJYYLOLBKPN-VSKRKVRLSA-N 1 1 484.693 3.434 20 0 JGADMO CC[C@@H](C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305596900 1068861971 /nfs/dbraw/zinc/86/19/71/1068861971.db2.gz BCVRTELQUJCGSB-HXUWFJFHSA-N 1 1 465.646 3.473 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCS(C)(=O)=O ZINC001305603683 1068868274 /nfs/dbraw/zinc/86/82/74/1068868274.db2.gz ARTBVGMKYLIZLE-MRXNPFEDSA-N 1 1 486.480 3.227 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001305604033 1068868527 /nfs/dbraw/zinc/86/85/27/1068868527.db2.gz AGAPHBHPMVEXBF-GHTZIAJQSA-N 1 1 458.010 3.431 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCN1CCOCC1 ZINC001305604853 1068870666 /nfs/dbraw/zinc/87/06/66/1068870666.db2.gz DSYOFIHLLLYNKO-KRWDZBQOSA-N 1 1 453.006 3.236 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001305605166 1068871509 /nfs/dbraw/zinc/87/15/09/1068871509.db2.gz PHTZSYAPWRUQFQ-RXVVDRJESA-N 1 1 481.576 3.373 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001305605165 1068871616 /nfs/dbraw/zinc/87/16/16/1068871616.db2.gz PHTZSYAPWRUQFQ-NQIIRXRSSA-N 1 1 481.576 3.373 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001305605500 1068872152 /nfs/dbraw/zinc/87/21/52/1068872152.db2.gz FJHCNHWHACLMOW-OSWQYVSFSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001305606055 1068873131 /nfs/dbraw/zinc/87/31/31/1068873131.db2.gz KNVZXFWIBMZSQC-PZJWPPBQSA-N 1 1 484.645 3.188 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001305606421 1068873645 /nfs/dbraw/zinc/87/36/45/1068873645.db2.gz ICJYKBZHHULKES-SFHVURJKSA-N 1 1 486.571 3.393 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001305606618 1068874632 /nfs/dbraw/zinc/87/46/32/1068874632.db2.gz NDTXBYZHVMZQFW-INIZCTEOSA-N 1 1 459.549 3.133 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 ZINC001305607602 1068875289 /nfs/dbraw/zinc/87/52/89/1068875289.db2.gz XQTOVYAMAVTJPN-HXUWFJFHSA-N 1 1 484.645 3.301 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC=C(C)C1 ZINC001305607391 1068875951 /nfs/dbraw/zinc/87/59/51/1068875951.db2.gz LGSFXSHCRADGNC-LJQANCHMSA-N 1 1 460.648 3.082 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001305607396 1068876039 /nfs/dbraw/zinc/87/60/39/1068876039.db2.gz LHLWQFIYSATFHG-HRCADAONSA-N 1 1 453.429 3.390 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001305607929 1068877248 /nfs/dbraw/zinc/87/72/48/1068877248.db2.gz NDMGUEKBMKOHFE-RCCFBDPRSA-N 1 1 463.026 3.469 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305608280 1068877363 /nfs/dbraw/zinc/87/73/63/1068877363.db2.gz OBHVRYNCLQBIQZ-DOTOQJQBSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)OC)CC1 ZINC001305607911 1068877475 /nfs/dbraw/zinc/87/74/75/1068877475.db2.gz MUXNIAODIILNDI-QGZVFWFLSA-N 1 1 459.591 3.082 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)NC(C)C ZINC001305608220 1068878273 /nfs/dbraw/zinc/87/82/73/1068878273.db2.gz PEXUFXKCFDAVSZ-INIZCTEOSA-N 1 1 465.440 3.399 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001305608985 1068880106 /nfs/dbraw/zinc/88/01/06/1068880106.db2.gz VNABIEXDIFLAFF-INIZCTEOSA-N 1 1 477.539 3.430 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001305608869 1068880202 /nfs/dbraw/zinc/88/02/02/1068880202.db2.gz CBTIMWOSJFKWRX-SFHVURJKSA-N 1 1 456.664 3.101 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001305609457 1068881774 /nfs/dbraw/zinc/88/17/74/1068881774.db2.gz DHTMEDKYPNPOLB-OKJTYZQLSA-N 1 1 457.648 3.344 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305609444 1068881814 /nfs/dbraw/zinc/88/18/14/1068881814.db2.gz DGUHXSCYPVWDCK-CMKODMSKSA-N 1 1 457.623 3.420 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCS(=O)CC1 ZINC001305609965 1068883298 /nfs/dbraw/zinc/88/32/98/1068883298.db2.gz XRGTYKKNBHUPCV-HNNXBMFYSA-N 1 1 454.438 3.007 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001305610089 1068883819 /nfs/dbraw/zinc/88/38/19/1068883819.db2.gz XYXOFSQXRSMXNK-NYVOZVTQSA-N 1 1 475.659 3.227 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 ZINC001305610316 1068884005 /nfs/dbraw/zinc/88/40/05/1068884005.db2.gz YTIBZJUKESROAP-LJQANCHMSA-N 1 1 482.633 3.088 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305611306 1068885599 /nfs/dbraw/zinc/88/55/99/1068885599.db2.gz YYJVFIZLCYIUQT-QAPCUYQASA-N 1 1 463.424 3.153 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001305611410 1068886256 /nfs/dbraw/zinc/88/62/56/1068886256.db2.gz ZZDCFAJQNLRDJX-OFAXGOBFSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001305612399 1068887504 /nfs/dbraw/zinc/88/75/04/1068887504.db2.gz CYQDGDTZYXPUCP-HXUWFJFHSA-N 1 1 470.666 3.028 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001305612331 1068887586 /nfs/dbraw/zinc/88/75/86/1068887586.db2.gz CGMITEXTHGDUDU-YLJYHZDGSA-N 1 1 481.580 3.005 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001305613117 1068888413 /nfs/dbraw/zinc/88/84/13/1068888413.db2.gz DOOZDJOQZOFDOT-FHWLQOOXSA-N 1 1 461.611 3.334 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001305614414 1068891241 /nfs/dbraw/zinc/89/12/41/1068891241.db2.gz KPVPEFAUHQNKKA-DZFGPLHGSA-N 1 1 470.618 3.318 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001305616442 1068896141 /nfs/dbraw/zinc/89/61/41/1068896141.db2.gz BFFNQWSUPNZZQC-XXBNENTESA-N 1 1 465.650 3.119 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305616810 1068896735 /nfs/dbraw/zinc/89/67/35/1068896735.db2.gz IMBKYZIZPLCVFW-MSOLQXFVSA-N 1 1 450.628 3.006 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1C ZINC001305617115 1068897973 /nfs/dbraw/zinc/89/79/73/1068897973.db2.gz KPHYXDNTPDSEJX-VGOFRKELSA-N 1 1 453.591 3.199 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001305617657 1068898894 /nfs/dbraw/zinc/89/88/94/1068898894.db2.gz MFAXQEUTQXXYEV-OAQYLSRUSA-N 1 1 490.718 3.416 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001305618093 1068900270 /nfs/dbraw/zinc/90/02/70/1068900270.db2.gz JRLMJBFBSYYWQA-QGZVFWFLSA-N 1 1 469.663 3.235 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001305618127 1068901046 /nfs/dbraw/zinc/90/10/46/1068901046.db2.gz KBGYILFKKNRVDK-OAQYLSRUSA-N 1 1 471.650 3.299 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305618792 1068901861 /nfs/dbraw/zinc/90/18/61/1068901861.db2.gz GLXIVMOETMFWCR-HXUWFJFHSA-N 1 1 486.686 3.415 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001305618840 1068901874 /nfs/dbraw/zinc/90/18/74/1068901874.db2.gz FETFHQHDOYWYDS-QRVBRYPASA-N 1 1 493.697 3.130 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001305618705 1068902055 /nfs/dbraw/zinc/90/20/55/1068902055.db2.gz DGPADDZSDKYEJB-ICSRJNTNSA-N 1 1 479.094 3.475 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001305618652 1068902237 /nfs/dbraw/zinc/90/22/37/1068902237.db2.gz MCVKVBLIEMVMIZ-SFHVURJKSA-N 1 1 473.691 3.203 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 ZINC001305619187 1068902575 /nfs/dbraw/zinc/90/25/75/1068902575.db2.gz OAFRYDMPPUZFQW-IBGZPJMESA-N 1 1 451.619 3.139 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC(C)C)nnc1N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001305619590 1068903358 /nfs/dbraw/zinc/90/33/58/1068903358.db2.gz TUMTVVFKQXKWSY-HXUWFJFHSA-N 1 1 480.661 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001305620515 1068905476 /nfs/dbraw/zinc/90/54/76/1068905476.db2.gz LQILFOPQKWHQCG-IBGZPJMESA-N 1 1 456.610 3.453 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC ZINC001305620907 1068906252 /nfs/dbraw/zinc/90/62/52/1068906252.db2.gz XSBFMKUASVHGTI-IEBWSBKVSA-N 1 1 465.689 3.269 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC ZINC001305620905 1068906309 /nfs/dbraw/zinc/90/63/09/1068906309.db2.gz XSBFMKUASVHGTI-HKUYNNGSSA-N 1 1 465.689 3.269 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305620933 1068906850 /nfs/dbraw/zinc/90/68/50/1068906850.db2.gz KYADYYNAASFZFN-KRWDZBQOSA-N 1 1 484.066 3.254 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305621686 1068908128 /nfs/dbraw/zinc/90/81/28/1068908128.db2.gz NHZLJWZEEDROQE-DFIYOIEZSA-N 1 1 494.681 3.152 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001305622066 1068909598 /nfs/dbraw/zinc/90/95/98/1068909598.db2.gz YHLUFEVCNRCRAF-GOSISDBHSA-N 1 1 454.648 3.086 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1COc2ccccc2O1 ZINC001305622219 1068910244 /nfs/dbraw/zinc/91/02/44/1068910244.db2.gz QTULMNHQVRFERU-CTNGQTDRSA-N 1 1 467.618 3.146 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001305622910 1068912347 /nfs/dbraw/zinc/91/23/47/1068912347.db2.gz RHMYSIQUMHQHKF-OAQYLSRUSA-N 1 1 468.646 3.311 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305623073 1068912989 /nfs/dbraw/zinc/91/29/89/1068912989.db2.gz WJLXTJJHQXSABX-UNMCSNQZSA-N 1 1 477.675 3.299 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001305623383 1068913586 /nfs/dbraw/zinc/91/35/86/1068913586.db2.gz TYYGBEIUUBJVBN-DNVCBOLYSA-N 1 1 450.534 3.213 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001305623477 1068914294 /nfs/dbraw/zinc/91/42/94/1068914294.db2.gz YIBMGCNTDOZMKR-NQIIRXRSSA-N 1 1 475.037 3.362 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001305623427 1068914370 /nfs/dbraw/zinc/91/43/70/1068914370.db2.gz UDZKXOMPBMXQKJ-ZYLNGJIFSA-N 1 1 492.665 3.076 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001305623668 1068915152 /nfs/dbraw/zinc/91/51/52/1068915152.db2.gz ZMHMRFQULZUUQN-OAQYLSRUSA-N 1 1 480.661 3.205 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCC2)CC1 ZINC001305623911 1068916437 /nfs/dbraw/zinc/91/64/37/1068916437.db2.gz XCAMAJRPLUOOLI-PCCBWWKXSA-N 1 1 489.709 3.454 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCC2)CC1 ZINC001305623911 1068916447 /nfs/dbraw/zinc/91/64/47/1068916447.db2.gz XCAMAJRPLUOOLI-PCCBWWKXSA-N 1 1 489.709 3.454 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 ZINC001305623999 1068916464 /nfs/dbraw/zinc/91/64/64/1068916464.db2.gz YQWLXXAHYOZVGD-MOPGFXCFSA-N 1 1 499.651 3.468 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305624165 1068916489 /nfs/dbraw/zinc/91/64/89/1068916489.db2.gz ZXFJQDMUMJBCGN-CTNGQTDRSA-N 1 1 459.660 3.102 20 0 JGADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001305624728 1068918238 /nfs/dbraw/zinc/91/82/38/1068918238.db2.gz TZKVGOVFMLPVSO-IRLDBZIGSA-N 1 1 468.646 3.137 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001305629750 1068932880 /nfs/dbraw/zinc/93/28/80/1068932880.db2.gz NPIWUKBXUGDKMM-KRWDZBQOSA-N 1 1 494.482 3.271 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001305630334 1068934512 /nfs/dbraw/zinc/93/45/12/1068934512.db2.gz BKVMLGDBRBMZDL-GOSISDBHSA-N 1 1 453.616 3.029 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001305633709 1068942400 /nfs/dbraw/zinc/94/24/00/1068942400.db2.gz QPSUUIZAKOUJGJ-IBGZPJMESA-N 1 1 472.634 3.188 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001305640768 1068956893 /nfs/dbraw/zinc/95/68/93/1068956893.db2.gz QXGJUFNPTZJYSX-RTWAWAEBSA-N 1 1 482.673 3.493 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001305641053 1068958010 /nfs/dbraw/zinc/95/80/10/1068958010.db2.gz BVZBUSIXZHPHFU-ZRCGQRJVSA-N 1 1 484.645 3.326 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001305644691 1068970333 /nfs/dbraw/zinc/97/03/33/1068970333.db2.gz ZTYFFIAQDSZFEF-PCCBWWKXSA-N 1 1 456.635 3.389 20 0 JGADMO CC[C@H](c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001305658423 1068997477 /nfs/dbraw/zinc/99/74/77/1068997477.db2.gz YVFREPQWJNPTNN-YADHBBJMSA-N 1 1 459.660 3.319 20 0 JGADMO CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001305658550 1068998447 /nfs/dbraw/zinc/99/84/47/1068998447.db2.gz YXFBMSGZPBWGTF-OAQYLSRUSA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](F)COC)c1ccccc1 ZINC001305672346 1069019792 /nfs/dbraw/zinc/01/97/92/1069019792.db2.gz USTCKRFAEJMZQH-DHIUTWEWSA-N 1 1 469.609 3.250 20 0 JGADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001305672859 1069021451 /nfs/dbraw/zinc/02/14/51/1069021451.db2.gz WJQNNEQLSDTLAT-SANMLTNESA-N 1 1 495.716 3.152 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001305674461 1069025911 /nfs/dbraw/zinc/02/59/11/1069025911.db2.gz WQIGLBYRCCCUCE-AOHZBQACSA-N 1 1 482.673 3.235 20 0 JGADMO CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001305677131 1069032484 /nfs/dbraw/zinc/03/24/84/1069032484.db2.gz KYZBNVAJKGPBFK-QHCPKHFHSA-N 1 1 484.645 3.067 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1ccn(C)n1)c1ccccc1 ZINC001305679343 1069037618 /nfs/dbraw/zinc/03/76/18/1069037618.db2.gz XFDQMMRFTPBFEL-XZOQPEGZSA-N 1 1 451.619 3.149 20 0 JGADMO CC[C@@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC001305682036 1069040165 /nfs/dbraw/zinc/04/01/65/1069040165.db2.gz MJKITBOZQXDARC-IFMALSPDSA-N 1 1 459.660 3.319 20 0 JGADMO CC[C@@H](c1nnc(N2CCO[C@H](COC)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001305683546 1069043162 /nfs/dbraw/zinc/04/31/62/1069043162.db2.gz QAIHYXDGQBKQPD-YFNKSVMNSA-N 1 1 471.646 3.173 20 0 JGADMO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC001305683897 1069043836 /nfs/dbraw/zinc/04/38/36/1069043836.db2.gz MJVAIXRZQKJXEA-OYRHEFFESA-N 1 1 490.693 3.045 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)SC ZINC001305691034 1069057722 /nfs/dbraw/zinc/05/77/22/1069057722.db2.gz RGTNLYUDDYCOOW-NRFANRHFSA-N 1 1 489.734 3.426 20 0 JGADMO CCC(CC)(Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)OC ZINC001305696122 1069069445 /nfs/dbraw/zinc/06/94/45/1069069445.db2.gz MRNPGVXIBFIKAN-KNQAVFIVSA-N 1 1 473.618 3.153 20 0 JGADMO CCC(CC)(Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)SC ZINC001305697753 1069074963 /nfs/dbraw/zinc/07/49/63/1069074963.db2.gz ZSEMBUISGUQJBJ-TZIWHRDSSA-N 1 1 464.724 3.387 20 0 JGADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)SC ZINC001305697800 1069075001 /nfs/dbraw/zinc/07/50/01/1069075001.db2.gz JRSCOVULWWWVKK-HSZRJFAPSA-N 1 1 458.676 3.487 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001305703536 1069087112 /nfs/dbraw/zinc/08/71/12/1069087112.db2.gz BBACDNVHKTZUNW-PZJWPPBQSA-N 1 1 499.660 3.066 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnc(C)s1)[NH+]1CCOCC1 ZINC001305704422 1069090598 /nfs/dbraw/zinc/09/05/98/1069090598.db2.gz FTTZXWXVYBXQNO-NRFANRHFSA-N 1 1 489.690 3.052 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)N1CCOCC1 ZINC001305705119 1069092700 /nfs/dbraw/zinc/09/27/00/1069092700.db2.gz JDCZDFABYIHQPN-URXFXBBRSA-N 1 1 476.710 3.228 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)N1CCOCC1 ZINC001305705119 1069092717 /nfs/dbraw/zinc/09/27/17/1069092717.db2.gz JDCZDFABYIHQPN-URXFXBBRSA-N 1 1 476.710 3.228 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001305706394 1069095206 /nfs/dbraw/zinc/09/52/06/1069095206.db2.gz NQBNVEXMFLNOFH-FPOVZHCZSA-N 1 1 469.634 3.299 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001305708106 1069100072 /nfs/dbraw/zinc/10/00/72/1069100072.db2.gz UXXUNCFWNZCCDO-VWPQPMDRSA-N 1 1 460.667 3.133 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001305708432 1069100454 /nfs/dbraw/zinc/10/04/54/1069100454.db2.gz WQOSCIBMLINGJD-SFTDATJTSA-N 1 1 462.683 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC[NH+]1CCSCC1 ZINC001305720544 1069129185 /nfs/dbraw/zinc/12/91/85/1069129185.db2.gz PNHYEBBMWHCKLS-NRFANRHFSA-N 1 1 456.660 3.369 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[N@H+]1CCC[C@H]1C ZINC001305726149 1069143489 /nfs/dbraw/zinc/14/34/89/1069143489.db2.gz VTDCCSHAMDZOMG-OAHLLOKOSA-N 1 1 484.571 3.070 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001305728000 1069147162 /nfs/dbraw/zinc/14/71/62/1069147162.db2.gz CEYJKORWZFRZBP-KNQAVFIVSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCCCO2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001305729012 1069149317 /nfs/dbraw/zinc/14/93/17/1069149317.db2.gz XMDGODSFMKXNEJ-HSZRJFAPSA-N 1 1 468.646 3.260 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1C[C@H]1C ZINC001305730129 1069150691 /nfs/dbraw/zinc/15/06/91/1069150691.db2.gz DQVKUIUXJHIUQX-MDPIYQRISA-N 1 1 470.666 3.105 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC(C)C ZINC001305731284 1069151153 /nfs/dbraw/zinc/15/11/53/1069151153.db2.gz NYQAWLLJUHPCDQ-GHTZIAJQSA-N 1 1 458.655 3.105 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCC(C)C ZINC001305735466 1069156454 /nfs/dbraw/zinc/15/64/54/1069156454.db2.gz HQMUZIDKYZRRKN-REWPJTCUSA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccccc1-n1cccn1 ZINC001305737203 1069160441 /nfs/dbraw/zinc/16/04/41/1069160441.db2.gz GLOSIGKPNZSMEI-VQTJNVASSA-N 1 1 478.645 3.349 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@](C)(O)c1ccccc1Cl ZINC001305737952 1069162249 /nfs/dbraw/zinc/16/22/49/1069162249.db2.gz ARMDQAWMRYVRGO-MIAKESKMSA-N 1 1 489.064 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCOc1ccc(F)c(F)c1 ZINC001305738416 1069163817 /nfs/dbraw/zinc/16/38/17/1069163817.db2.gz FHADDOCLLBIZKJ-AEFFLSMTSA-N 1 1 476.572 3.227 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738891 1069165025 /nfs/dbraw/zinc/16/50/25/1069165025.db2.gz MZTXHEPBARCRHH-ROUUACIJSA-N 1 1 496.660 3.059 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CCc1ccccc1F ZINC001305739058 1069165569 /nfs/dbraw/zinc/16/55/69/1069165569.db2.gz FPRFGTLHANEOJY-CVDCTZTESA-N 1 1 486.636 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1Cc1csc(C)c1 ZINC001305739010 1069165807 /nfs/dbraw/zinc/16/58/07/1069165807.db2.gz DUWODEMPKYRVTD-CTNGQTDRSA-N 1 1 474.675 3.162 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H](C)Oc1ccccc1OC ZINC001305739840 1069168747 /nfs/dbraw/zinc/16/87/47/1069168747.db2.gz LRRRREHKSIWPGN-ZJOUEHCJSA-N 1 1 484.645 3.346 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1Cc1cc(C(C)(C)C)no1 ZINC001305743057 1069178748 /nfs/dbraw/zinc/17/87/48/1069178748.db2.gz ZLWRNDJGELYGRA-SJLPKXTDSA-N 1 1 457.623 3.203 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1cc(C(C)(C)C)no1 ZINC001305743056 1069178842 /nfs/dbraw/zinc/17/88/42/1069178842.db2.gz ZLWRNDJGELYGRA-FUHWJXTLSA-N 1 1 457.623 3.203 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305744729 1069184344 /nfs/dbraw/zinc/18/43/44/1069184344.db2.gz XRDNUTFZUVYVJJ-SBZFUYPRSA-N 1 1 490.693 3.234 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305744723 1069184363 /nfs/dbraw/zinc/18/43/63/1069184363.db2.gz XRDNUTFZUVYVJJ-HJJDGDTKSA-N 1 1 490.693 3.234 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305745127 1069185660 /nfs/dbraw/zinc/18/56/60/1069185660.db2.gz PGUHRIWORKVGSI-UHFFFAOYSA-N 1 1 487.615 3.003 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1cc(F)cc(F)c1 ZINC001305747290 1069191027 /nfs/dbraw/zinc/19/10/27/1069191027.db2.gz GFBQXLYBKFLKQX-RUZDIDTESA-N 1 1 490.599 3.018 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305751082 1069197362 /nfs/dbraw/zinc/19/73/62/1069197362.db2.gz WTVZIOYJSVWELZ-HXUWFJFHSA-N 1 1 473.710 3.239 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCOC1 ZINC001305751632 1069197957 /nfs/dbraw/zinc/19/79/57/1069197957.db2.gz XRXPEPYRRIPWEQ-UNMCSNQZSA-N 1 1 468.646 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305753004 1069201402 /nfs/dbraw/zinc/20/14/02/1069201402.db2.gz VTIQAXIWZHHPDC-QHAWAJNXSA-N 1 1 484.693 3.292 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001305754788 1069205486 /nfs/dbraw/zinc/20/54/86/1069205486.db2.gz JHERLKAGOBGZLW-OAQYLSRUSA-N 1 1 472.634 3.225 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305756238 1069209974 /nfs/dbraw/zinc/20/99/74/1069209974.db2.gz SQMYFGQWRXZFRI-JOCHJYFZSA-N 1 1 484.693 3.430 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1Cc1nnc(C)s1 ZINC001305756485 1069210529 /nfs/dbraw/zinc/21/05/29/1069210529.db2.gz XIDFMMZBCVGDCQ-FQEVSTJZSA-N 1 1 482.658 3.115 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCC1(C)C ZINC001305756796 1069211760 /nfs/dbraw/zinc/21/17/60/1069211760.db2.gz ZVGJOTKLUDEDJJ-WOJBJXKFSA-N 1 1 460.667 3.181 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC1(CC)CC1 ZINC001305756889 1069212250 /nfs/dbraw/zinc/21/22/50/1069212250.db2.gz LQKYIVDRDPSATK-UHFFFAOYSA-N 1 1 473.710 3.382 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305757845 1069215438 /nfs/dbraw/zinc/21/54/38/1069215438.db2.gz DGCPHYKSTCIWMV-WXVAWEFUSA-N 1 1 494.640 3.499 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305757769 1069215459 /nfs/dbraw/zinc/21/54/59/1069215459.db2.gz DPXXYADYSRSMNA-OAQYLSRUSA-N 1 1 483.661 3.371 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305758976 1069219435 /nfs/dbraw/zinc/21/94/35/1069219435.db2.gz NHRVWRAFZUVZMW-BCHFMIIMSA-N 1 1 486.636 3.165 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305761653 1069228155 /nfs/dbraw/zinc/22/81/55/1069228155.db2.gz CFUQOYBARPPAMM-JAXLGGSGSA-N 1 1 460.667 3.060 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C2)CCCOC3)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305761751 1069229058 /nfs/dbraw/zinc/22/90/58/1069229058.db2.gz SLMQAFWOXBJZLS-CYFREDJKSA-N 1 1 458.607 3.099 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC[N@@H+](C)C1CCCC1 ZINC001305762811 1069231466 /nfs/dbraw/zinc/23/14/66/1069231466.db2.gz UXYPNTSOHDSGHY-UHFFFAOYSA-N 1 1 454.619 3.339 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)ccc3C2)n1CCCC[NH+]1CCOCC1 ZINC001305762817 1069231649 /nfs/dbraw/zinc/23/16/49/1069231649.db2.gz VGEHDBFIOWLGEC-UHFFFAOYSA-N 1 1 472.609 3.011 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1CCCC[NH+]1CCOCC1 ZINC001305763210 1069231969 /nfs/dbraw/zinc/23/19/69/1069231969.db2.gz YCNNYICKXPKJGK-UHFFFAOYSA-N 1 1 454.619 3.312 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001305769767 1069244616 /nfs/dbraw/zinc/24/46/16/1069244616.db2.gz CJBXKUIRRHOEDC-WIYYLYMNSA-N 1 1 460.667 3.465 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccnc1-n1cccn1 ZINC001305772251 1069250753 /nfs/dbraw/zinc/25/07/53/1069250753.db2.gz GNFOQPFGHHUBKH-UHFFFAOYSA-N 1 1 493.660 3.136 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@](C)(O)CC ZINC001305776572 1069260174 /nfs/dbraw/zinc/26/01/74/1069260174.db2.gz OEJVNBHQHFEFFP-VWLOTQADSA-N 1 1 474.625 3.209 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@](C)(O)CC ZINC001305776569 1069260520 /nfs/dbraw/zinc/26/05/20/1069260520.db2.gz OEJVNBHQHFEFFP-RUZDIDTESA-N 1 1 474.625 3.209 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305778279 1069265343 /nfs/dbraw/zinc/26/53/43/1069265343.db2.gz ANKLXJGBUJQXGR-HSZRJFAPSA-N 1 1 499.704 3.429 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305780322 1069270536 /nfs/dbraw/zinc/27/05/36/1069270536.db2.gz BOQAGZFZNGETNP-NRFANRHFSA-N 1 1 489.615 3.286 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305780352 1069270670 /nfs/dbraw/zinc/27/06/70/1069270670.db2.gz CBDOMCFWTLVWSP-PMACEKPBSA-N 1 1 487.718 3.483 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305783339 1069277452 /nfs/dbraw/zinc/27/74/52/1069277452.db2.gz VEMNLNSMQKNBSY-QGZVFWFLSA-N 1 1 489.615 3.284 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305783776 1069278922 /nfs/dbraw/zinc/27/89/22/1069278922.db2.gz XPFFJEYFYQRBRI-HXUWFJFHSA-N 1 1 467.662 3.385 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305784534 1069280746 /nfs/dbraw/zinc/28/07/46/1069280746.db2.gz WQZFPNHPJNQLJM-NRFANRHFSA-N 1 1 467.662 3.316 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCOc1ncccc1F ZINC001305785067 1069283881 /nfs/dbraw/zinc/28/38/81/1069283881.db2.gz GRVFERLOCFIXCW-SFHVURJKSA-N 1 1 487.624 3.120 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1nccn1C(F)F ZINC001305785246 1069284476 /nfs/dbraw/zinc/28/44/76/1069284476.db2.gz JPQBUFQIIIGTKE-INIZCTEOSA-N 1 1 478.592 3.147 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1Cc1occc1C ZINC001305785543 1069286441 /nfs/dbraw/zinc/28/64/41/1069286441.db2.gz HHBYQOSMKSYKTB-QFIPXVFZSA-N 1 1 480.613 3.002 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC)[C@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305786928 1069291717 /nfs/dbraw/zinc/29/17/17/1069291717.db2.gz ZJSRTTPPIGYLMY-KNQAVFIVSA-N 1 1 461.699 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001305787073 1069292889 /nfs/dbraw/zinc/29/28/89/1069292889.db2.gz DVKFFGCFBWGLNR-HOYKHHGWSA-N 1 1 474.675 3.131 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305787456 1069294327 /nfs/dbraw/zinc/29/43/27/1069294327.db2.gz AFXCTEKMLMCAJT-XZOQPEGZSA-N 1 1 485.652 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305787456 1069294334 /nfs/dbraw/zinc/29/43/34/1069294334.db2.gz AFXCTEKMLMCAJT-XZOQPEGZSA-N 1 1 485.652 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305787941 1069295728 /nfs/dbraw/zinc/29/57/28/1069295728.db2.gz QJXTZEJWZFPLIW-URXFXBBRSA-N 1 1 481.689 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@H+]1CC ZINC001305787941 1069295735 /nfs/dbraw/zinc/29/57/35/1069295735.db2.gz QJXTZEJWZFPLIW-URXFXBBRSA-N 1 1 481.689 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001305788224 1069296444 /nfs/dbraw/zinc/29/64/44/1069296444.db2.gz UHBLFHPTKCTFGT-UHFFFAOYSA-N 1 1 496.685 3.090 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccc(Cl)cc1 ZINC001305788458 1069296979 /nfs/dbraw/zinc/29/69/79/1069296979.db2.gz VDPOIOZNHJEBGI-OAQYLSRUSA-N 1 1 475.037 3.199 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001305788886 1069298225 /nfs/dbraw/zinc/29/82/25/1069298225.db2.gz MJPJRWPZHRYPMG-SQJMNOBHSA-N 1 1 460.667 3.202 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCC3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001305791085 1069302816 /nfs/dbraw/zinc/30/28/16/1069302816.db2.gz IKMJAQQRMACIGT-HXUWFJFHSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001305791157 1069303320 /nfs/dbraw/zinc/30/33/20/1069303320.db2.gz LUJCZTVMYDTZFQ-IEBWSBKVSA-N 1 1 488.599 3.332 20 0 JGADMO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000009127787 562955551 /nfs/dbraw/zinc/95/55/51/562955551.db2.gz LMCPBIGLLAGUJO-IBGZPJMESA-N 1 1 491.997 3.453 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000045498669 563196312 /nfs/dbraw/zinc/19/63/12/563196312.db2.gz ZBBKKMPFBVDJJU-XZOQPEGZSA-N 1 1 483.609 3.030 20 0 JGADMO O=C1COCC2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC2)N1 ZINC001164423681 718934476 /nfs/dbraw/zinc/93/44/76/718934476.db2.gz JLZZWSMYVNOJCB-UHFFFAOYSA-N 1 1 455.628 3.041 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1CN1CC[C@H](CO)C1 ZINC001164626082 719046862 /nfs/dbraw/zinc/04/68/62/719046862.db2.gz QMKRHLJZACAUTG-ZJVHSOCCSA-N 1 1 491.680 3.464 20 0 JGADMO CN(C)C(=O)CN1CC[C@]2(CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001164634481 719143139 /nfs/dbraw/zinc/14/31/39/719143139.db2.gz VJIOEKVKNNXPOZ-AJTFRIOCSA-N 1 1 496.055 3.242 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)CC2)C1=O ZINC001164633024 719271056 /nfs/dbraw/zinc/27/10/56/719271056.db2.gz FLVJGCILXUDDKD-UHFFFAOYSA-N 1 1 481.547 3.334 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccccc4F)nc4ccc(F)cc43)CC2)C1=O ZINC001164633024 719271061 /nfs/dbraw/zinc/27/10/61/719271061.db2.gz FLVJGCILXUDDKD-UHFFFAOYSA-N 1 1 481.547 3.334 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4scc(-c5ccc(OC)cc5)c43)CC2)C1=O ZINC001164639880 719279913 /nfs/dbraw/zinc/27/99/13/719279913.db2.gz KNZHKGDVMQXGRY-UHFFFAOYSA-N 1 1 481.622 3.126 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4scc(-c5ccc(OC)cc5)c43)CC2)C1=O ZINC001164639880 719279914 /nfs/dbraw/zinc/27/99/14/719279914.db2.gz KNZHKGDVMQXGRY-UHFFFAOYSA-N 1 1 481.622 3.126 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164647973 719307473 /nfs/dbraw/zinc/30/74/73/719307473.db2.gz PJHGSMVNOUFVSC-UHFFFAOYSA-N 1 1 456.925 3.253 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164647477 719310724 /nfs/dbraw/zinc/31/07/24/719310724.db2.gz BRMHZHYRJXWXAN-UHFFFAOYSA-N 1 1 453.012 3.430 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164652791 719315179 /nfs/dbraw/zinc/31/51/79/719315179.db2.gz QARSRKMUVIBTTQ-UHFFFAOYSA-N 1 1 495.697 3.414 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)CC2 ZINC001164653549 719315489 /nfs/dbraw/zinc/31/54/89/719315489.db2.gz VFXBTDAKXLSSDC-UHFFFAOYSA-N 1 1 460.630 3.205 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CC2 ZINC001164653552 719317187 /nfs/dbraw/zinc/31/71/87/719317187.db2.gz VJVNTWHGFFECOX-UHFFFAOYSA-N 1 1 461.614 3.382 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164664107 719356538 /nfs/dbraw/zinc/35/65/38/719356538.db2.gz KQJJYQFSFNUDLX-LJQANCHMSA-N 1 1 488.370 3.308 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c(F)c4)C3)C2)cc[nH+]1 ZINC001164663886 719357075 /nfs/dbraw/zinc/35/70/75/719357075.db2.gz IGBVNAMQPSQBDK-HXUWFJFHSA-N 1 1 470.927 3.398 20 0 JGADMO Cc1nc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc(Cl)c1C ZINC001164663407 719357134 /nfs/dbraw/zinc/35/71/34/719357134.db2.gz FCAFSWVOGASGFE-OAQYLSRUSA-N 1 1 481.979 3.271 20 0 JGADMO C[N@H+]1CCO[C@@H]2CN(c3nc4nc[nH]c4c(N(Cc4ccccc4)Cc4ccccc4)n3)C[C@H]21 ZINC001164673125 719406118 /nfs/dbraw/zinc/40/61/18/719406118.db2.gz SMAUJDRTJWZNIR-FGZHOGPDSA-N 1 1 455.566 3.079 20 0 JGADMO CN1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]21 ZINC001164669272 719426048 /nfs/dbraw/zinc/42/60/48/719426048.db2.gz LMXLIZNSZWEVNY-VXKWHMMOSA-N 1 1 455.002 3.276 20 0 JGADMO CN1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164669276 719426143 /nfs/dbraw/zinc/42/61/43/719426143.db2.gz LMXLIZNSZWEVNY-YADHBBJMSA-N 1 1 455.002 3.276 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]32)nc1 ZINC001164691442 719800463 /nfs/dbraw/zinc/80/04/63/719800463.db2.gz GYAAFBBBTNVYTB-OALUTQOASA-N 1 1 477.638 3.050 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCCN(c4ncccn4)[C@@H]3C2)n1 ZINC001164693962 719800837 /nfs/dbraw/zinc/80/08/37/719800837.db2.gz WDUAGHRVQXPYGE-QZTJIDSGSA-N 1 1 453.616 3.034 20 0 JGADMO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2O1 ZINC001164700126 719818429 /nfs/dbraw/zinc/81/84/29/719818429.db2.gz IQGTULBNCHUDGU-KEKPKEOLSA-N 1 1 497.643 3.378 20 0 JGADMO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164707399 719868812 /nfs/dbraw/zinc/86/88/12/719868812.db2.gz SCVHKWCVSVPSIF-CLOONOSVSA-N 1 1 487.670 3.137 20 0 JGADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(F)F)nc2ccc(Cl)cc21 ZINC001164699250 719876210 /nfs/dbraw/zinc/87/62/10/719876210.db2.gz BEBKKLRCYQZYQA-SZNDQCEHSA-N 1 1 454.905 3.454 20 0 JGADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc2cc(F)c(OC)cc21 ZINC001164702923 719880637 /nfs/dbraw/zinc/88/06/37/719880637.db2.gz RKJMCHBNSDTVEL-OYHNWAKOSA-N 1 1 451.926 3.269 20 0 JGADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc2cc(F)c(OC)cc21 ZINC001164702927 719880642 /nfs/dbraw/zinc/88/06/42/719880642.db2.gz RKJMCHBNSDTVEL-QRQCRPRQSA-N 1 1 451.926 3.269 20 0 JGADMO O=C1NCCc2[nH]c(-c3ccnc(N4CCC5(CC4)C[N@@H+](Cc4cccs4)CCO5)c3)cc21 ZINC001164696017 719891386 /nfs/dbraw/zinc/89/13/86/719891386.db2.gz VBNGJDKXMVNUPM-UHFFFAOYSA-N 1 1 463.607 3.296 20 0 JGADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)C1 ZINC001164705894 719898277 /nfs/dbraw/zinc/89/82/77/719898277.db2.gz FHWYAGJKZJHEOM-FQEVSTJZSA-N 1 1 485.654 3.189 20 0 JGADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707477 719906103 /nfs/dbraw/zinc/90/61/03/719906103.db2.gz QXWPIBADDSMLOY-MRXNPFEDSA-N 1 1 450.992 3.231 20 0 JGADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707477 719906109 /nfs/dbraw/zinc/90/61/09/719906109.db2.gz QXWPIBADDSMLOY-MRXNPFEDSA-N 1 1 450.992 3.231 20 0 JGADMO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC001164710947 720074357 /nfs/dbraw/zinc/07/43/57/720074357.db2.gz KZDRWGAKFNPNBI-RBUKOAKNSA-N 1 1 477.638 3.284 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@H]3CC(=O)N4c3cnn(C)c3)c2c1C ZINC001164710509 720074450 /nfs/dbraw/zinc/07/44/50/720074450.db2.gz IZJQNLXJMIRUJM-RBUKOAKNSA-N 1 1 465.627 3.412 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)C2 ZINC001164807364 720079957 /nfs/dbraw/zinc/07/99/57/720079957.db2.gz FCQSXKXLCZRSPJ-QFQXNSOFSA-N 1 1 495.649 3.161 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164816440 720115556 /nfs/dbraw/zinc/11/55/56/720115556.db2.gz YTWCCGTXNCRHGD-QVKFZJNVSA-N 1 1 455.024 3.213 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n1)C2 ZINC001164808543 720117473 /nfs/dbraw/zinc/11/74/73/720117473.db2.gz FNGIRQPEOWVIQZ-JIPXPUAJSA-N 1 1 480.657 3.433 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164716362 720126458 /nfs/dbraw/zinc/12/64/58/720126458.db2.gz KLRKDWWPZUHQQJ-QGZVFWFLSA-N 1 1 484.988 3.300 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c(OC)c1 ZINC001164719142 720126504 /nfs/dbraw/zinc/12/65/04/720126504.db2.gz WPFXOILFSHRAIY-NRFANRHFSA-N 1 1 454.571 3.169 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164714826 720132776 /nfs/dbraw/zinc/13/27/76/720132776.db2.gz ZNWZPIUERXANNI-JOCHJYFZSA-N 1 1 481.641 3.461 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ncn3Cc1ccccc1F)C2 ZINC001164816138 720133437 /nfs/dbraw/zinc/13/34/37/720133437.db2.gz XQWJVSFZTSBJRT-CPJSRVTESA-N 1 1 450.562 3.198 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164710418 720134739 /nfs/dbraw/zinc/13/47/39/720134739.db2.gz BEKIESAJGILJCO-FQEVSTJZSA-N 1 1 478.597 3.048 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)CC2 ZINC001164712086 720137118 /nfs/dbraw/zinc/13/71/18/720137118.db2.gz KMIWOAYSSDBZIN-IBGZPJMESA-N 1 1 485.032 3.397 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164710424 720141605 /nfs/dbraw/zinc/14/16/05/720141605.db2.gz BHJSCRUAJYCHGQ-QFIPXVFZSA-N 1 1 487.670 3.015 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164710400 720145922 /nfs/dbraw/zinc/14/59/22/720145922.db2.gz AVPGYXJPKCIVRI-DEOSSOPVSA-N 1 1 459.594 3.194 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)cc1C(=O)OCC ZINC001164712970 720158029 /nfs/dbraw/zinc/15/80/29/720158029.db2.gz IVRXVFIPAIACFZ-NRFANRHFSA-N 1 1 496.608 3.338 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@]34CCN(C)C4=O)CC2)nc1 ZINC001164716480 720161644 /nfs/dbraw/zinc/16/16/44/720161644.db2.gz ZRHPDSCIPOMKIN-CUNXSJBXSA-N 1 1 482.673 3.061 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@@]34CCN(C)C4=O)CC2)nc1 ZINC001164716475 720162384 /nfs/dbraw/zinc/16/23/84/720162384.db2.gz ZRHPDSCIPOMKIN-AJTFRIOCSA-N 1 1 482.673 3.061 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(N(C)Cc3ccc(OC)cc3)n1)C2 ZINC001164819199 720191528 /nfs/dbraw/zinc/19/15/28/720191528.db2.gz WLPVANXCMFGYIA-NVQXNPDNSA-N 1 1 451.615 3.306 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ccn3Cc1ccccc1)CCC2 ZINC001164814800 720225100 /nfs/dbraw/zinc/22/51/00/720225100.db2.gz ZKFSLUOFCBNPFD-UHFFFAOYSA-N 1 1 457.582 3.287 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5ccccc5)c43)C2)C1 ZINC001164718439 720228923 /nfs/dbraw/zinc/22/89/23/720228923.db2.gz LRYOHDICUYLGQJ-XMMPIXPASA-N 1 1 451.596 3.023 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5ccccc5)c43)C2)C1 ZINC001164718439 720228934 /nfs/dbraw/zinc/22/89/34/720228934.db2.gz LRYOHDICUYLGQJ-XMMPIXPASA-N 1 1 451.596 3.023 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CCC2 ZINC001164814493 720233408 /nfs/dbraw/zinc/23/34/08/720233408.db2.gz VODWFAJRFXGONT-UHFFFAOYSA-N 1 1 463.920 3.030 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CCC2 ZINC001164812752 720234080 /nfs/dbraw/zinc/23/40/80/720234080.db2.gz HYWDCFQQYZSQRB-UHFFFAOYSA-N 1 1 482.589 3.112 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)C2)C1 ZINC001164720243 720262972 /nfs/dbraw/zinc/26/29/72/720262972.db2.gz SUTZOWQZFIZOPY-MHZLTWQESA-N 1 1 477.584 3.409 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)C2)C1 ZINC001164720243 720262994 /nfs/dbraw/zinc/26/29/94/720262994.db2.gz SUTZOWQZFIZOPY-MHZLTWQESA-N 1 1 477.584 3.409 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C2)C1 ZINC001164720751 720297205 /nfs/dbraw/zinc/29/72/05/720297205.db2.gz CWGOBNROYGUFAA-NDEPHWFRSA-N 1 1 471.605 3.475 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C2)C1 ZINC001164720751 720297214 /nfs/dbraw/zinc/29/72/14/720297214.db2.gz CWGOBNROYGUFAA-NDEPHWFRSA-N 1 1 471.605 3.475 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](COCC(=O)N(C)C)CC[C@H]43)c2c1C ZINC001164721167 720322907 /nfs/dbraw/zinc/32/29/07/720322907.db2.gz AWXFCAORIRWSFD-ZCNNSNEGSA-N 1 1 487.670 3.135 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)n1 ZINC001164725563 720323282 /nfs/dbraw/zinc/32/32/82/720323282.db2.gz NRGOQNUZSGQJPP-AQNXPRMDSA-N 1 1 489.686 3.381 20 0 JGADMO Cc1cc2c(ncnc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1S(=O)(=O)c1ccccc1 ZINC001164722593 720353368 /nfs/dbraw/zinc/35/33/68/720353368.db2.gz FMLJACSPBMHTSG-DHIUTWEWSA-N 1 1 474.590 3.225 20 0 JGADMO CC(=O)N(C)Cc1nnc2n1CCCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164825704 720414081 /nfs/dbraw/zinc/41/40/81/720414081.db2.gz OPBQMYQULAUMIH-UHFFFAOYSA-N 1 1 482.658 3.274 20 0 JGADMO Fc1ccccc1N1CCN(c2cc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ncn2)CC1 ZINC001164732827 720449592 /nfs/dbraw/zinc/44/95/92/720449592.db2.gz OMCQHHCSCAPRSP-BJKOFHAPSA-N 1 1 459.573 3.191 20 0 JGADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164727921 720458528 /nfs/dbraw/zinc/45/85/28/720458528.db2.gz FEOYKGICTSTPJU-YADHBBJMSA-N 1 1 471.533 3.409 20 0 JGADMO O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164726365 720499626 /nfs/dbraw/zinc/49/96/26/720499626.db2.gz LLTNRAGSJNMSQE-RPLLCQBOSA-N 1 1 470.577 3.054 20 0 JGADMO O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164726365 720499629 /nfs/dbraw/zinc/49/96/29/720499629.db2.gz LLTNRAGSJNMSQE-RPLLCQBOSA-N 1 1 470.577 3.054 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)CC[C@@H]21 ZINC001164840580 720518493 /nfs/dbraw/zinc/51/84/93/720518493.db2.gz WJRPHCYRHBLHNK-ULQDDVLXSA-N 1 1 453.969 3.315 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837138 720519555 /nfs/dbraw/zinc/51/95/55/720519555.db2.gz NVPNOIAREYEYIB-GBESFXJTSA-N 1 1 496.006 3.086 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164841596 720612268 /nfs/dbraw/zinc/61/22/68/720612268.db2.gz TYJHAUOMNQTPTA-IEIRFRATSA-N 1 1 474.675 3.123 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840135 720615067 /nfs/dbraw/zinc/61/50/67/720615067.db2.gz PBZYOFJXWMZPPK-ZIFCJYIRSA-N 1 1 487.033 3.413 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837784 720637721 /nfs/dbraw/zinc/63/77/21/720637721.db2.gz JLPXKRGCTLIPCS-IXDOHACOSA-N 1 1 453.969 3.315 20 0 JGADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164745690 720649673 /nfs/dbraw/zinc/64/96/73/720649673.db2.gz VEAJYZZMIYZAQN-STQMWFEESA-N 1 1 450.852 3.099 20 0 JGADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164745690 720649693 /nfs/dbraw/zinc/64/96/93/720649693.db2.gz VEAJYZZMIYZAQN-STQMWFEESA-N 1 1 450.852 3.099 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C(=O)OCC ZINC001164843736 720650651 /nfs/dbraw/zinc/65/06/51/720650651.db2.gz XIMSFFALUUGGMX-WOIUINJBSA-N 1 1 469.586 3.009 20 0 JGADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164745688 720651254 /nfs/dbraw/zinc/65/12/54/720651254.db2.gz VEAJYZZMIYZAQN-OLZOCXBDSA-N 1 1 450.852 3.099 20 0 JGADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164745688 720651256 /nfs/dbraw/zinc/65/12/56/720651256.db2.gz VEAJYZZMIYZAQN-OLZOCXBDSA-N 1 1 450.852 3.099 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)CC[C@@H]21 ZINC001164837079 720651945 /nfs/dbraw/zinc/65/19/45/720651945.db2.gz BGHNKZAVSLEZBC-SQNIBIBYSA-N 1 1 480.444 3.194 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3scnc3c(N3CCOCC3)n1)CC2 ZINC001164842633 720675940 /nfs/dbraw/zinc/67/59/40/720675940.db2.gz LWWBMUODAOOTAV-HXUWFJFHSA-N 1 1 480.638 3.183 20 0 JGADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843350 720684619 /nfs/dbraw/zinc/68/46/19/720684619.db2.gz OJCGBJZAWMNRJE-IBGZPJMESA-N 1 1 458.990 3.496 20 0 JGADMO c1cc(C2OCCCO2)ccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746897 720741820 /nfs/dbraw/zinc/74/18/20/720741820.db2.gz YVXOSQMETSTLHP-PKTZIBPZSA-N 1 1 459.550 3.316 20 0 JGADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164737857 720761760 /nfs/dbraw/zinc/76/17/60/720761760.db2.gz DCRYEZOVVLGDNB-OALUTQOASA-N 1 1 465.627 3.036 20 0 JGADMO c1cncc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164739333 720764267 /nfs/dbraw/zinc/76/42/67/720764267.db2.gz IHLSNXRTBYWONA-ROUUACIJSA-N 1 1 471.590 3.374 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164749231 720809753 /nfs/dbraw/zinc/80/97/53/720809753.db2.gz SLSUKMSPCUAROI-GBESFXJTSA-N 1 1 481.626 3.147 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164742327 720813940 /nfs/dbraw/zinc/81/39/40/720813940.db2.gz CUBJWBBMWRITPP-DBXWQHBBSA-N 1 1 481.988 3.041 20 0 JGADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743283 720815768 /nfs/dbraw/zinc/81/57/68/720815768.db2.gz RUQZDHFNCUOIEK-FKCDAAJZSA-N 1 1 484.652 3.006 20 0 JGADMO O=C(NCCc1ccccc1)[C@@]12COC[C@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164848705 720816613 /nfs/dbraw/zinc/81/66/13/720816613.db2.gz DQRQEIUTXMEVCU-BWKNWUBXSA-N 1 1 455.002 3.143 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745974 720816883 /nfs/dbraw/zinc/81/68/83/720816883.db2.gz XPOQXOWYJJGBAG-IPMKNSEASA-N 1 1 493.006 3.246 20 0 JGADMO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737739 720827916 /nfs/dbraw/zinc/82/79/16/720827916.db2.gz CJHFFFJPLPAZDJ-YQVWRLOYSA-N 1 1 453.978 3.263 20 0 JGADMO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737738 720828037 /nfs/dbraw/zinc/82/80/37/720828037.db2.gz CJHFFFJPLPAZDJ-JENIJYKNSA-N 1 1 453.978 3.263 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746126 720829388 /nfs/dbraw/zinc/82/93/88/720829388.db2.gz XZAZHWYCPZXYQB-WAOWUJCRSA-N 1 1 481.988 3.041 20 0 JGADMO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744091 720829990 /nfs/dbraw/zinc/82/99/90/720829990.db2.gz UEEQQRCKFDDTTB-CSODHUTKSA-N 1 1 453.978 3.263 20 0 JGADMO Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739997 720833346 /nfs/dbraw/zinc/83/33/46/720833346.db2.gz BKUVDGBRTSXGJC-YPAWHYETSA-N 1 1 456.038 3.302 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c(C)c(C)c-2n1 ZINC001164741128 720835228 /nfs/dbraw/zinc/83/52/28/720835228.db2.gz DDHBWHUWRNMAPC-MIZPHKNDSA-N 1 1 477.613 3.327 20 0 JGADMO Cc1nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)c1C ZINC001164750346 720836877 /nfs/dbraw/zinc/83/68/77/720836877.db2.gz XICBXGFQLOGXMQ-RCCFBDPRSA-N 1 1 451.953 3.263 20 0 JGADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742505 720842449 /nfs/dbraw/zinc/84/24/49/720842449.db2.gz HCKIXULFETXDSH-VDZJLULYSA-N 1 1 474.947 3.194 20 0 JGADMO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747803 720842574 /nfs/dbraw/zinc/84/25/74/720842574.db2.gz RSAVUMMDVCYAKI-ARFHVFGLSA-N 1 1 472.371 3.385 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164741763 720843566 /nfs/dbraw/zinc/84/35/66/720843566.db2.gz FOMNOWIHZMUCOZ-SQGPQFPESA-N 1 1 494.974 3.428 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164741757 720843907 /nfs/dbraw/zinc/84/39/07/720843907.db2.gz FOMNOWIHZMUCOZ-MBOZVWFJSA-N 1 1 494.974 3.428 20 0 JGADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc5ccccc5nc4N4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741337 720844969 /nfs/dbraw/zinc/84/49/69/720844969.db2.gz FEBDJIFOFDYZHO-ZFGGDYGUSA-N 1 1 458.614 3.201 20 0 JGADMO O=C(NC1CCCC1)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164743047 720849266 /nfs/dbraw/zinc/84/92/66/720849266.db2.gz IGXBCVNMSFYFDE-UNWVZKJWSA-N 1 1 484.048 3.378 20 0 JGADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164753095 720854801 /nfs/dbraw/zinc/85/48/01/720854801.db2.gz WNVYRZBQCPWFGX-RJGXRXQPSA-N 1 1 472.597 3.008 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753992 720856587 /nfs/dbraw/zinc/85/65/87/720856587.db2.gz ZQETXAPTTLLTNS-ZHALLVOQSA-N 1 1 495.962 3.343 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)c(F)cc3C(=O)NCc3cccs3)CC[C@H]2C1 ZINC001164854025 720864521 /nfs/dbraw/zinc/86/45/21/720864521.db2.gz IEDJSGQUGOHMEV-KXBFYZLASA-N 1 1 483.009 3.039 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)CC(C)C)nc3C2)nc1 ZINC001164751607 720866696 /nfs/dbraw/zinc/86/66/96/720866696.db2.gz LNKVFTREXXIIDR-QFIPXVFZSA-N 1 1 466.630 3.258 20 0 JGADMO CCN(C)c1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747230 720867436 /nfs/dbraw/zinc/86/74/36/720867436.db2.gz ATIPPAMBYQUZHV-JYFHCDHNSA-N 1 1 450.631 3.391 20 0 JGADMO CCN(C)c1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747230 720867439 /nfs/dbraw/zinc/86/74/39/720867439.db2.gz ATIPPAMBYQUZHV-JYFHCDHNSA-N 1 1 450.631 3.391 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC[C@H]2C1 ZINC001164855482 720869009 /nfs/dbraw/zinc/86/90/09/720869009.db2.gz MYIYTLVQUQRDLQ-BJKOFHAPSA-N 1 1 453.583 3.358 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751540 720870447 /nfs/dbraw/zinc/87/04/47/720870447.db2.gz KXYQWZBNSUJIFY-CPJSRVTESA-N 1 1 486.016 3.457 20 0 JGADMO COC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1OC ZINC001164750751 720875532 /nfs/dbraw/zinc/87/55/32/720875532.db2.gz JRBLRBHNFHWXJI-QFQXNSOFSA-N 1 1 466.582 3.027 20 0 JGADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1 ZINC001164859328 720876571 /nfs/dbraw/zinc/87/65/71/720876571.db2.gz MTILSOOOFMICNJ-PMACEKPBSA-N 1 1 461.676 3.323 20 0 JGADMO CSc1nc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748460 720881597 /nfs/dbraw/zinc/88/15/97/720881597.db2.gz DXYRTQRFEIIFPV-PGRDOPGGSA-N 1 1 461.035 3.397 20 0 JGADMO CCOC(=O)c1cnc(C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748501 720882171 /nfs/dbraw/zinc/88/21/71/720882171.db2.gz FPHBCAXHYUQIAV-BKMJKUGQSA-N 1 1 465.598 3.112 20 0 JGADMO Cn1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757888 720884287 /nfs/dbraw/zinc/88/42/87/720884287.db2.gz WCFRNKRUKLFJNL-DVECYGJZSA-N 1 1 468.005 3.167 20 0 JGADMO COC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1 ZINC001164753438 720884659 /nfs/dbraw/zinc/88/46/59/720884659.db2.gz GVOHRPYOQNMJGI-OFVILXPXSA-N 1 1 454.546 3.157 20 0 JGADMO COCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(SC)n1 ZINC001164758864 720888117 /nfs/dbraw/zinc/88/81/17/720888117.db2.gz ZYIFXRHTXZHSAI-BWKNWUBXSA-N 1 1 469.655 3.495 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)CC[C@H]2C1 ZINC001164852861 720890202 /nfs/dbraw/zinc/89/02/02/720890202.db2.gz ADFOWAYWMUNCHL-GHTZIAJQSA-N 1 1 481.000 3.428 20 0 JGADMO O=C(NC1CC1)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753493 720893134 /nfs/dbraw/zinc/89/31/34/720893134.db2.gz HCXIYBCOYLOCIL-YIXXDRMTSA-N 1 1 461.610 3.124 20 0 JGADMO CCOc1ccc(C(=O)OC)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757168 720894700 /nfs/dbraw/zinc/89/47/00/720894700.db2.gz UBFUYYIXVRAIAB-AMGIVPHBSA-N 1 1 480.609 3.417 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4c(=O)cc(Cn5ccnc5)nc4C3)c2c1C ZINC001164861858 720895878 /nfs/dbraw/zinc/89/58/78/720895878.db2.gz ZCLMFAKCIUIPAL-UHFFFAOYSA-N 1 1 490.637 3.116 20 0 JGADMO CCN(CC)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753931 720898492 /nfs/dbraw/zinc/89/84/92/720898492.db2.gz HVMLNEQLQVPYJL-ZEQKJWHPSA-N 1 1 450.631 3.473 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4CO[C@H](CNC(=O)c5ccno5)[C@H]4C3)c2c1C ZINC001164855034 720912340 /nfs/dbraw/zinc/91/23/40/720912340.db2.gz HJXKQXZCAABQMI-WSTZPKSXSA-N 1 1 496.637 3.163 20 0 JGADMO O=c1ccccn1Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164749138 720913755 /nfs/dbraw/zinc/91/37/55/720913755.db2.gz HXDKDDOQNJGZBH-LITSAYRRSA-N 1 1 485.632 3.442 20 0 JGADMO COCCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754610 720932071 /nfs/dbraw/zinc/93/20/71/720932071.db2.gz WERXGTMMEWJWPR-RPLLCQBOSA-N 1 1 480.609 3.035 20 0 JGADMO COc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2c1ccn2C ZINC001164747020 720934199 /nfs/dbraw/zinc/93/41/99/720934199.db2.gz BRUMGIHZYMGLBN-RLWLMLJZSA-N 1 1 462.598 3.127 20 0 JGADMO CCNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754618 720938566 /nfs/dbraw/zinc/93/85/66/720938566.db2.gz WHDYCZZEGYZBMU-CPJSRVTESA-N 1 1 485.032 3.030 20 0 JGADMO CCS(=O)(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755203 720939785 /nfs/dbraw/zinc/93/97/85/720939785.db2.gz ZTFKGPSHDUSYIL-RDGATRHJSA-N 1 1 470.639 3.025 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)[C@H]2C ZINC001164862295 721011584 /nfs/dbraw/zinc/01/15/84/721011584.db2.gz PWMMHQXCDVUDIV-NRFANRHFSA-N 1 1 460.630 3.421 20 0 JGADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]12 ZINC001164760858 721020810 /nfs/dbraw/zinc/02/08/10/721020810.db2.gz QASJUJMURVTUNS-VSKRKVRLSA-N 1 1 470.017 3.274 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3c(-c4cnn(C)c4)nnn3C[C@@H]2COC)n1 ZINC001164759703 721025182 /nfs/dbraw/zinc/02/51/82/721025182.db2.gz NFCKNGXSPSYBNJ-GOSISDBHSA-N 1 1 495.657 3.177 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)n1 ZINC001164864084 721038567 /nfs/dbraw/zinc/03/85/67/721038567.db2.gz XDDCJLKXXNOFSA-UHFFFAOYSA-N 1 1 495.653 3.342 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164774154 721066891 /nfs/dbraw/zinc/06/68/91/721066891.db2.gz YZCZEJHVKDGMLR-YDHSSHFGSA-N 1 1 494.665 3.409 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C[C@@H]3C2)cn1 ZINC001164773763 721097023 /nfs/dbraw/zinc/09/70/23/721097023.db2.gz YEYQINMXYQXRBN-NEPJUHHUSA-N 1 1 453.765 3.072 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C[C@H]3C2)cn1 ZINC001164773766 721098157 /nfs/dbraw/zinc/09/81/57/721098157.db2.gz YEYQINMXYQXRBN-NWDGAFQWSA-N 1 1 453.765 3.072 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866927 721120787 /nfs/dbraw/zinc/12/07/87/721120787.db2.gz VFOYCEVGTFAGGC-UXHICEINSA-N 1 1 483.613 3.232 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164880928 721131781 /nfs/dbraw/zinc/13/17/81/721131781.db2.gz XWEAZKIZXXCYGA-IAGOWNOFSA-N 1 1 466.916 3.331 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)n1 ZINC001164880929 721132879 /nfs/dbraw/zinc/13/28/79/721132879.db2.gz XWEAZKIZXXCYGA-IRXDYDNUSA-N 1 1 466.916 3.331 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2[nH]cnc21 ZINC001164881211 721135328 /nfs/dbraw/zinc/13/53/28/721135328.db2.gz ZZEYODZHLSHKLV-MSOLQXFVSA-N 1 1 465.558 3.180 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164874527 721144763 /nfs/dbraw/zinc/14/47/63/721144763.db2.gz KKERNRILRDQAAN-FCHUYYIVSA-N 1 1 494.665 3.015 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879529 721181477 /nfs/dbraw/zinc/18/14/77/721181477.db2.gz TWJBITIKCHOMRO-SJORKVTESA-N 1 1 467.904 3.247 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3N(c4ncccn4)CCC[C@@]3(C(=O)NC)C2)nc1 ZINC001164868100 721208880 /nfs/dbraw/zinc/20/88/80/721208880.db2.gz KMCSXPDRDAKHLG-TVZXLZGTSA-N 1 1 463.630 3.030 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C[C@@H]3C2)cn1 ZINC001164765821 721213695 /nfs/dbraw/zinc/21/36/95/721213695.db2.gz ILZPVFQTXJVSKJ-IRXDYDNUSA-N 1 1 459.932 3.429 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@H](NC(=O)c2cnccn2)CCO3)nc1 ZINC001164869110 721216288 /nfs/dbraw/zinc/21/62/88/721216288.db2.gz BSRDQDAQIZPJGT-WHSBFGAESA-N 1 1 464.614 3.367 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C[C@H]3C2)cn1 ZINC001164761381 721244392 /nfs/dbraw/zinc/24/43/92/721244392.db2.gz HXGZTWTZEIQJPB-JKSUJKDBSA-N 1 1 454.909 3.064 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C[C@H]3C2)cn1 ZINC001164761145 721249349 /nfs/dbraw/zinc/24/93/49/721249349.db2.gz HOZHDYVYBHHYHP-ZIAGYGMSSA-N 1 1 453.950 3.062 20 0 JGADMO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164761526 721253053 /nfs/dbraw/zinc/25/30/53/721253053.db2.gz JHYXOGPBNAOMKY-PZUNEJSGSA-N 1 1 472.589 3.248 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)cn1 ZINC001164769366 721264299 /nfs/dbraw/zinc/26/42/99/721264299.db2.gz YAQWUGIFLNOEDV-RBUKOAKNSA-N 1 1 477.638 3.050 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)CC2)C1 ZINC001164872426 721285613 /nfs/dbraw/zinc/28/56/13/721285613.db2.gz CNERQAGVWCKKKM-UHFFFAOYSA-N 1 1 477.968 3.068 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC2)C1 ZINC001164878674 721290104 /nfs/dbraw/zinc/29/01/04/721290104.db2.gz SLTLLCLRFKPYGE-UHFFFAOYSA-N 1 1 493.986 3.349 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC2)C1 ZINC001164876586 721290160 /nfs/dbraw/zinc/29/01/60/721290160.db2.gz IXXZHYQWPWGJBI-UHFFFAOYSA-N 1 1 493.986 3.349 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cnc(Cl)nc3Oc3ccccc3F)CC2)C1 ZINC001164875691 721292072 /nfs/dbraw/zinc/29/20/72/721292072.db2.gz FVWSLCNORKJHEO-UHFFFAOYSA-N 1 1 477.968 3.068 20 0 JGADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164877779 721292701 /nfs/dbraw/zinc/29/27/01/721292701.db2.gz OQQJKHXMFOJWQC-UHFFFAOYSA-N 1 1 488.032 3.492 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3OCCN(c4ccc(C)nn4)[C@H]3C2)n1 ZINC001164777707 721312328 /nfs/dbraw/zinc/31/23/28/721312328.db2.gz UPPUUMXEVFOULU-OALUTQOASA-N 1 1 467.643 3.342 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCCCC3)C2)C1 ZINC001164778773 721335270 /nfs/dbraw/zinc/33/52/70/721335270.db2.gz YGLSMQYKCMEBTO-SANMLTNESA-N 1 1 467.614 3.432 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCCCC3)C2)C1 ZINC001164778773 721335275 /nfs/dbraw/zinc/33/52/75/721335275.db2.gz YGLSMQYKCMEBTO-SANMLTNESA-N 1 1 467.614 3.432 20 0 JGADMO COC(=O)c1c[nH]c2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ccc12 ZINC001164779511 721344000 /nfs/dbraw/zinc/34/40/00/721344000.db2.gz UNLNVCKYXXCXIN-DEOSSOPVSA-N 1 1 453.543 3.073 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780088 721363402 /nfs/dbraw/zinc/36/34/02/721363402.db2.gz DDIFTFGUHQXMTD-QFIPXVFZSA-N 1 1 463.966 3.031 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780088 721363405 /nfs/dbraw/zinc/36/34/05/721363405.db2.gz DDIFTFGUHQXMTD-QFIPXVFZSA-N 1 1 463.966 3.031 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)N(C)C)cc3Cl)C2)C1 ZINC001164782241 721367269 /nfs/dbraw/zinc/36/72/69/721367269.db2.gz LKTQFVZNTBTECZ-HSZRJFAPSA-N 1 1 461.994 3.161 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)N(C)C)cc3Cl)C2)C1 ZINC001164782241 721367274 /nfs/dbraw/zinc/36/72/74/721367274.db2.gz LKTQFVZNTBTECZ-HSZRJFAPSA-N 1 1 461.994 3.161 20 0 JGADMO CS(=O)(=O)N1CCCC[C@@]12CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164884118 721375181 /nfs/dbraw/zinc/37/51/81/721375181.db2.gz BWWHHUBPZQCWGU-VWLOTQADSA-N 1 1 454.640 3.424 20 0 JGADMO COc1cc(OC)c2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164782016 721375785 /nfs/dbraw/zinc/37/57/85/721375785.db2.gz LHGNOYDWPQTYAZ-RUZDIDTESA-N 1 1 467.570 3.371 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893589 721387675 /nfs/dbraw/zinc/38/76/75/721387675.db2.gz VPBUBQJPVKUYKX-KDOFPFPSSA-N 1 1 450.361 3.094 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893588 721387776 /nfs/dbraw/zinc/38/77/76/721387776.db2.gz VPBUBQJPVKUYKX-KBXCAEBGSA-N 1 1 450.361 3.094 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C3)O2)CC1 ZINC001164890027 721391490 /nfs/dbraw/zinc/39/14/90/721391490.db2.gz NFHJAQOINNZBFC-GCJKJVERSA-N 1 1 485.023 3.041 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C(=O)N5CCCCC5)cc(Cl)n4)C3)O2)CC1 ZINC001164889798 721392299 /nfs/dbraw/zinc/39/22/99/721392299.db2.gz MIRRTUSPGGNUQL-OFVILXPXSA-N 1 1 476.065 3.127 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164892197 721395808 /nfs/dbraw/zinc/39/58/08/721395808.db2.gz SBORHFFKKCGHLU-KSSFIOAISA-N 1 1 450.361 3.094 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C3)O2)CC1 ZINC001164884454 721397247 /nfs/dbraw/zinc/39/72/47/721397247.db2.gz BBUCMWKOJGQGNT-WXVAWEFUSA-N 1 1 497.087 3.411 20 0 JGADMO CN(C)C(=O)c1cc2cnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164789535 721410710 /nfs/dbraw/zinc/41/07/10/721410710.db2.gz UYQXXXYVNWRPAA-ROUUACIJSA-N 1 1 465.627 3.273 20 0 JGADMO O=C(NCCSCc1ccco1)c1cccnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783592 721417090 /nfs/dbraw/zinc/41/70/90/721417090.db2.gz JAMMLUCPIZKFMS-QZTJIDSGSA-N 1 1 469.636 3.363 20 0 JGADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164887179 721422646 /nfs/dbraw/zinc/42/26/46/721422646.db2.gz LHKVIFGRJISAGH-QFQXNSOFSA-N 1 1 452.599 3.177 20 0 JGADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164887181 721422731 /nfs/dbraw/zinc/42/27/31/721422731.db2.gz LHKVIFGRJISAGH-RLWLMLJZSA-N 1 1 452.599 3.177 20 0 JGADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164887175 721422844 /nfs/dbraw/zinc/42/28/44/721422844.db2.gz LHKVIFGRJISAGH-HFZDXXHNSA-N 1 1 452.599 3.177 20 0 JGADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784275 721423071 /nfs/dbraw/zinc/42/30/71/721423071.db2.gz KZPVWNZGMVUJBJ-DFFLPILJSA-N 1 1 492.024 3.017 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164896232 721426034 /nfs/dbraw/zinc/42/60/34/721426034.db2.gz RGNUJAAVEBIGSI-XMSQKQJNSA-N 1 1 481.975 3.473 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164891776 721428415 /nfs/dbraw/zinc/42/84/15/721428415.db2.gz HJFUKKPTUOUZFE-KXBFYZLASA-N 1 1 464.388 3.180 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164889566 721438878 /nfs/dbraw/zinc/43/88/78/721438878.db2.gz BSWAOJKKCFFVDM-SHQCIBLASA-N 1 1 464.610 3.204 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C3)O2)CC1 ZINC001164892156 721440764 /nfs/dbraw/zinc/44/07/64/721440764.db2.gz HMHVGCHTZLINMX-AMGIVPHBSA-N 1 1 479.625 3.070 20 0 JGADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc(Cl)nc2)n1 ZINC001164898698 721445148 /nfs/dbraw/zinc/44/51/48/721445148.db2.gz WODPSCSCUDNSRH-HYBUGGRVSA-N 1 1 457.022 3.266 20 0 JGADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164895421 721445217 /nfs/dbraw/zinc/44/52/17/721445217.db2.gz OWGHTEQLNISRQQ-JYFHCDHNSA-N 1 1 451.615 3.129 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1Cl)CC2 ZINC001164788591 721448617 /nfs/dbraw/zinc/44/86/17/721448617.db2.gz RPNZWTFQHVLYTK-LJQANCHMSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccc(C(=O)OC)cc31)CC2 ZINC001164786490 721453131 /nfs/dbraw/zinc/45/31/31/721453131.db2.gz MRWGVDISZMJGCS-NRFANRHFSA-N 1 1 468.598 3.150 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164784993 721454804 /nfs/dbraw/zinc/45/48/04/721454804.db2.gz GAGAROPPIIDBQB-GOSISDBHSA-N 1 1 467.010 3.041 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@@H]43)c2c1C ZINC001164884920 721458660 /nfs/dbraw/zinc/45/86/60/721458660.db2.gz CMVYNIKRKQTUPR-FHWLQOOXSA-N 1 1 455.628 3.166 20 0 JGADMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1 ZINC001164890940 721458977 /nfs/dbraw/zinc/45/89/77/721458977.db2.gz TVWRBDOWBBSLFH-AQNXPRMDSA-N 1 1 481.666 3.428 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164784020 721462305 /nfs/dbraw/zinc/46/23/05/721462305.db2.gz GQMAKBSFOOQPKS-HSZRJFAPSA-N 1 1 480.657 3.339 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1nc(C)n3C)CC2 ZINC001164790673 721465045 /nfs/dbraw/zinc/46/50/45/721465045.db2.gz UKHVPXXLSNYZMZ-SFHVURJKSA-N 1 1 463.026 3.059 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164789468 721468207 /nfs/dbraw/zinc/46/82/07/721468207.db2.gz NDAAJCUZTHBSMM-DEOSSOPVSA-N 1 1 466.626 3.026 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCC[C@@H](C)C3)ncn1)CC2 ZINC001164789544 721469190 /nfs/dbraw/zinc/46/91/90/721469190.db2.gz NZMKEFKBYYPVSR-GGAORHGYSA-N 1 1 457.663 3.447 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCC[C@@H](C)C3)ncn1)CC2 ZINC001164789542 721469514 /nfs/dbraw/zinc/46/95/14/721469514.db2.gz NZMKEFKBYYPVSR-FYYLOGMGSA-N 1 1 457.663 3.447 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nnc1OC)CC2 ZINC001164789874 721473553 /nfs/dbraw/zinc/47/35/53/721473553.db2.gz ORFMRNYFMHVDOV-QGZVFWFLSA-N 1 1 474.980 3.417 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(OC)nc(Cl)n1)CC2 ZINC001164787144 721473869 /nfs/dbraw/zinc/47/38/69/721473869.db2.gz CQFRRPNLKANAHC-KRWDZBQOSA-N 1 1 474.980 3.417 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@H]4C3)c2c1C ZINC001164791902 721482171 /nfs/dbraw/zinc/48/21/71/721482171.db2.gz KLOOMJUKQCBGCG-ZCNNSNEGSA-N 1 1 485.654 3.299 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164900266 721512833 /nfs/dbraw/zinc/51/28/33/721512833.db2.gz PGIWVLNQZIJBOU-ZBFHGGJFSA-N 1 1 470.879 3.333 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2c1 ZINC001164807165 721531630 /nfs/dbraw/zinc/53/16/30/721531630.db2.gz PVRZREMKPRMARQ-ACRUOGEOSA-N 1 1 467.957 3.333 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2c1 ZINC001164807165 721531636 /nfs/dbraw/zinc/53/16/36/721531636.db2.gz PVRZREMKPRMARQ-ACRUOGEOSA-N 1 1 467.957 3.333 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164904073 721532818 /nfs/dbraw/zinc/53/28/18/721532818.db2.gz FDPVJKXLCTUVKT-AKIFATBCSA-N 1 1 494.615 3.462 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)NCc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164799901 721533068 /nfs/dbraw/zinc/53/30/68/721533068.db2.gz BRUIFAXOZLSSHN-ISJGIBHGSA-N 1 1 457.578 3.275 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)NCc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164799901 721533070 /nfs/dbraw/zinc/53/30/70/721533070.db2.gz BRUIFAXOZLSSHN-ISJGIBHGSA-N 1 1 457.578 3.275 20 0 JGADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164805509 721536645 /nfs/dbraw/zinc/53/66/45/721536645.db2.gz LZKDSNYYTHCITQ-BXWFABGCSA-N 1 1 452.937 3.004 20 0 JGADMO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164805509 721536646 /nfs/dbraw/zinc/53/66/46/721536646.db2.gz LZKDSNYYTHCITQ-BXWFABGCSA-N 1 1 452.937 3.004 20 0 JGADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC[N@@H+]3C2)c1 ZINC001164908170 721540200 /nfs/dbraw/zinc/54/02/00/721540200.db2.gz PITCMHITCCKRLA-RDJZCZTQSA-N 1 1 468.360 3.101 20 0 JGADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)CC[N@H+]3C2)c1 ZINC001164908170 721540204 /nfs/dbraw/zinc/54/02/04/721540204.db2.gz PITCMHITCCKRLA-RDJZCZTQSA-N 1 1 468.360 3.101 20 0 JGADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CC[N@H+]3C2)c1 ZINC001164903069 721541725 /nfs/dbraw/zinc/54/17/25/721541725.db2.gz BZTAQFABVHXUOR-CTNGQTDRSA-N 1 1 462.504 3.495 20 0 JGADMO Cc1cc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164904120 721542235 /nfs/dbraw/zinc/54/22/35/721542235.db2.gz FGCZQZVYYCWOLU-UYAOXDASSA-N 1 1 469.586 3.317 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cnc1Cl ZINC001164806579 721544107 /nfs/dbraw/zinc/54/41/07/721544107.db2.gz OTAAZEKJULKUIW-GBESFXJTSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cnc1Cl ZINC001164806579 721544109 /nfs/dbraw/zinc/54/41/09/721544109.db2.gz OTAAZEKJULKUIW-GBESFXJTSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cnc1Cl ZINC001164806580 721544545 /nfs/dbraw/zinc/54/45/45/721544545.db2.gz OTAAZEKJULKUIW-QYZOEREBSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cnc1Cl ZINC001164806580 721544548 /nfs/dbraw/zinc/54/45/48/721544548.db2.gz OTAAZEKJULKUIW-QYZOEREBSA-N 1 1 466.916 3.330 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164799522 721560541 /nfs/dbraw/zinc/56/05/41/721560541.db2.gz CHTSOLUHCSZMCF-JTAQYXEDSA-N 1 1 458.006 3.480 20 0 JGADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164799522 721560544 /nfs/dbraw/zinc/56/05/44/721560544.db2.gz CHTSOLUHCSZMCF-JTAQYXEDSA-N 1 1 458.006 3.480 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800778 721563245 /nfs/dbraw/zinc/56/32/45/721563245.db2.gz FOKOCWKUCHNKIK-UBFVSLLYSA-N 1 1 486.624 3.187 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800778 721563246 /nfs/dbraw/zinc/56/32/46/721563246.db2.gz FOKOCWKUCHNKIK-UBFVSLLYSA-N 1 1 486.624 3.187 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800772 721563250 /nfs/dbraw/zinc/56/32/50/721563250.db2.gz FOKOCWKUCHNKIK-SDHSZQHLSA-N 1 1 486.624 3.187 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800772 721563252 /nfs/dbraw/zinc/56/32/52/721563252.db2.gz FOKOCWKUCHNKIK-SDHSZQHLSA-N 1 1 486.624 3.187 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3Cc2ccccc2F)[C@@H]2CCCO[C@H]12 ZINC001164808045 721563697 /nfs/dbraw/zinc/56/36/97/721563697.db2.gz UNRZFQXEFCWMPJ-AKFKNWHVSA-N 1 1 473.556 3.277 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3Cc2ccccc2F)[C@@H]2CCCO[C@H]12 ZINC001164808045 721563700 /nfs/dbraw/zinc/56/37/00/721563700.db2.gz UNRZFQXEFCWMPJ-AKFKNWHVSA-N 1 1 473.556 3.277 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806755 721569012 /nfs/dbraw/zinc/56/90/12/721569012.db2.gz RQPXQGSSQMIJFZ-FDFHNCONSA-N 1 1 481.597 3.116 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806755 721569015 /nfs/dbraw/zinc/56/90/15/721569015.db2.gz RQPXQGSSQMIJFZ-FDFHNCONSA-N 1 1 481.597 3.116 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@H]12 ZINC001164803073 721572476 /nfs/dbraw/zinc/57/24/76/721572476.db2.gz JIGXFMYGNGESSO-GGPKGHCWSA-N 1 1 460.916 3.486 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@H]12 ZINC001164803073 721572481 /nfs/dbraw/zinc/57/24/81/721572481.db2.gz JIGXFMYGNGESSO-GGPKGHCWSA-N 1 1 460.916 3.486 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164803044 721572868 /nfs/dbraw/zinc/57/28/68/721572868.db2.gz JGPWRSXUJWFQMK-FHWLQOOXSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164803044 721572870 /nfs/dbraw/zinc/57/28/70/721572870.db2.gz JGPWRSXUJWFQMK-FHWLQOOXSA-N 1 1 466.916 3.330 20 0 JGADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@H](C)C5)C[C@H]2C1=O ZINC001164901156 721575432 /nfs/dbraw/zinc/57/54/32/721575432.db2.gz CQTHLSVSWGNLNW-NLWGTHIKSA-N 1 1 483.682 3.343 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164798227 721577160 /nfs/dbraw/zinc/57/71/60/721577160.db2.gz BAEHAGQKEXMHNI-WSTZPKSXSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164798227 721577161 /nfs/dbraw/zinc/57/71/61/721577161.db2.gz BAEHAGQKEXMHNI-WSTZPKSXSA-N 1 1 466.916 3.330 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164803403 721578912 /nfs/dbraw/zinc/57/89/12/721578912.db2.gz HZAQTQCLKVDOGK-INNMJMHTSA-N 1 1 485.636 3.066 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@](F)(COc2cncc(Cl)n2)C(F)F)[C@@H]2CCCO[C@@H]12 ZINC001164811851 721583032 /nfs/dbraw/zinc/58/30/32/721583032.db2.gz YMDLWGVMJLVXQX-NVEXJGOOSA-N 1 1 471.911 3.199 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@](F)(COc2cncc(Cl)n2)C(F)F)[C@@H]2CCCO[C@@H]12 ZINC001164811851 721583035 /nfs/dbraw/zinc/58/30/35/721583035.db2.gz YMDLWGVMJLVXQX-NVEXJGOOSA-N 1 1 471.911 3.199 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)c(OC)c1 ZINC001164806186 721584474 /nfs/dbraw/zinc/58/44/74/721584474.db2.gz MEBWOEGJBXMVCA-UMFSSWHCSA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)c(OC)c1 ZINC001164806186 721584476 /nfs/dbraw/zinc/58/44/76/721584476.db2.gz MEBWOEGJBXMVCA-UMFSSWHCSA-N 1 1 461.566 3.424 20 0 JGADMO Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164801815 721586603 /nfs/dbraw/zinc/58/66/03/721586603.db2.gz FWVSUURYWIRZAJ-WPFOTENUSA-N 1 1 458.566 3.301 20 0 JGADMO CN(C)c1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(Cl)n1 ZINC001164801860 721588834 /nfs/dbraw/zinc/58/88/34/721588834.db2.gz FZCVSEAPTNPUGV-TXPKVOOTSA-N 1 1 452.937 3.004 20 0 JGADMO CN(C)c1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(Cl)n1 ZINC001164801860 721588835 /nfs/dbraw/zinc/58/88/35/721588835.db2.gz FZCVSEAPTNPUGV-TXPKVOOTSA-N 1 1 452.937 3.004 20 0 JGADMO O=C1CO[C@]2(CN1c1ccsc1)COCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164796047 721594053 /nfs/dbraw/zinc/59/40/53/721594053.db2.gz AWSBXTGLPUJZDE-JOCHJYFZSA-N 1 1 463.003 3.031 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@@H]32)n1 ZINC001164803552 721596733 /nfs/dbraw/zinc/59/67/33/721596733.db2.gz WUHRNXCZDDMMBR-PCCBWWKXSA-N 1 1 493.633 3.015 20 0 JGADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc-2n1 ZINC001164907449 721702336 /nfs/dbraw/zinc/70/23/36/721702336.db2.gz SYBKYRXRSJGXFL-HSZRJFAPSA-N 1 1 471.508 3.491 20 0 JGADMO O=C1NCc2c1c(N1CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C1)nc(Cl)c2F ZINC001164907276 721709454 /nfs/dbraw/zinc/70/94/54/721709454.db2.gz QIIGWGUZEBLCAA-FQEVSTJZSA-N 1 1 451.880 3.250 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908064 721719444 /nfs/dbraw/zinc/71/94/44/721719444.db2.gz UYIMSWINIJFMOW-HSZRJFAPSA-N 1 1 470.524 3.278 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904912 721724023 /nfs/dbraw/zinc/72/40/23/721724023.db2.gz FMANUHSYFJEMFF-QFIPXVFZSA-N 1 1 479.597 3.245 20 0 JGADMO FC1(F)CCN(c2nc(Cl)cc(O[C@H]3CCOC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911736 721737305 /nfs/dbraw/zinc/73/73/05/721737305.db2.gz KAQWQRBKTHVOMW-LAUBAEHRSA-N 1 1 465.932 3.430 20 0 JGADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2C1 ZINC001164913160 721737988 /nfs/dbraw/zinc/73/79/88/721737988.db2.gz UQKRCGPJRLXJSI-MHECFPHRSA-N 1 1 471.552 3.277 20 0 JGADMO CCNC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913871 721738665 /nfs/dbraw/zinc/73/86/65/721738665.db2.gz ZDHJNOMZNCTMNY-HXUWFJFHSA-N 1 1 450.921 3.012 20 0 JGADMO CCCNC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913840 721738870 /nfs/dbraw/zinc/73/88/70/721738870.db2.gz YVACIPHJCJYXGT-OAQYLSRUSA-N 1 1 464.948 3.403 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)nc1 ZINC001165013760 721759975 /nfs/dbraw/zinc/75/99/75/721759975.db2.gz RZWOXSOHYADLPQ-QHCPKHFHSA-N 1 1 464.614 3.320 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164910492 721761223 /nfs/dbraw/zinc/76/12/23/721761223.db2.gz GVKMPJXSLQCRFX-UHFFFAOYSA-N 1 1 469.611 3.295 20 0 JGADMO CCN(CC)S(=O)(=O)c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164910492 721761227 /nfs/dbraw/zinc/76/12/27/721761227.db2.gz GVKMPJXSLQCRFX-UHFFFAOYSA-N 1 1 469.611 3.295 20 0 JGADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)C1 ZINC001164911825 721761997 /nfs/dbraw/zinc/76/19/97/721761997.db2.gz SJKRQSGOECSSGQ-FQEVSTJZSA-N 1 1 490.608 3.439 20 0 JGADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)C1 ZINC001164911825 721762004 /nfs/dbraw/zinc/76/20/04/721762004.db2.gz SJKRQSGOECSSGQ-FQEVSTJZSA-N 1 1 490.608 3.439 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)C2 ZINC001164909656 721765621 /nfs/dbraw/zinc/76/56/21/721765621.db2.gz FDRQSJKSFHYXNQ-LJQANCHMSA-N 1 1 455.946 3.480 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)C2 ZINC001164909656 721765623 /nfs/dbraw/zinc/76/56/23/721765623.db2.gz FDRQSJKSFHYXNQ-LJQANCHMSA-N 1 1 455.946 3.480 20 0 JGADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@]5(C4)COCCN(Cc4cccnc4)C5)ccc3C2)cc1 ZINC001164913332 721776975 /nfs/dbraw/zinc/77/69/75/721776975.db2.gz WWZSQYBHUVQMBN-GDLZYMKVSA-N 1 1 485.632 3.143 20 0 JGADMO Cc1nc2sc3c(c2c(N2CCO[C@@]4(C2)COCC[N@H+](Cc2cccnc2)C4)n1)CCCC3 ZINC001164915667 721793470 /nfs/dbraw/zinc/79/34/70/721793470.db2.gz XKPGODBWCCBGAT-VWLOTQADSA-N 1 1 465.623 3.381 20 0 JGADMO Cc1nc2sc3c(c2c(N2CCO[C@@]4(C2)COCC[N@@H+](Cc2cccnc2)C4)n1)CCCC3 ZINC001164915667 721793471 /nfs/dbraw/zinc/79/34/71/721793471.db2.gz XKPGODBWCCBGAT-VWLOTQADSA-N 1 1 465.623 3.381 20 0 JGADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913257 721796907 /nfs/dbraw/zinc/79/69/07/721796907.db2.gz CGPASPFVVPPJNI-XMMPIXPASA-N 1 1 469.948 3.439 20 0 JGADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913257 721796909 /nfs/dbraw/zinc/79/69/09/721796909.db2.gz CGPASPFVVPPJNI-XMMPIXPASA-N 1 1 469.948 3.439 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(OC)cc2)nc1 ZINC001165027245 721796965 /nfs/dbraw/zinc/79/69/65/721796965.db2.gz UVRTXDXZEOLVLZ-SMIHKQSGSA-N 1 1 450.583 3.253 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C[C@H]21 ZINC001165025890 721810647 /nfs/dbraw/zinc/81/06/47/721810647.db2.gz OCZKRNMYDBHWKN-OPJGWUQDSA-N 1 1 456.594 3.495 20 0 JGADMO Cc1cnc2n1CCN(C)C21CCN(c2nc3c(cc(C(=O)N(C)C)n3C3CCCC3)c[nH+]2)CC1 ZINC001164918022 721815953 /nfs/dbraw/zinc/81/59/53/721815953.db2.gz ULUYBAHTQUSZCA-UHFFFAOYSA-N 1 1 476.629 3.194 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@@H]21 ZINC001165021479 721823105 /nfs/dbraw/zinc/82/31/05/721823105.db2.gz FUFXNEWKZDYECF-ACIOBRDBSA-N 1 1 462.646 3.204 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@@H]21 ZINC001165030157 721823823 /nfs/dbraw/zinc/82/38/23/721823823.db2.gz YBQVNARXBURQSO-NKKJXINNSA-N 1 1 469.655 3.388 20 0 JGADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)C1 ZINC001165025164 721824736 /nfs/dbraw/zinc/82/47/36/721824736.db2.gz MCAWUFDSIKXTCT-XWVZOOPGSA-N 1 1 478.641 3.388 20 0 JGADMO COc1ccc2c(C)cc(N3CCO[C@@]4(C3)COCCN(Cc3csc(C)n3)C4)[nH+]c2c1 ZINC001164920421 721829763 /nfs/dbraw/zinc/82/97/63/721829763.db2.gz DEZFPYBHUIOOBS-DEOSSOPVSA-N 1 1 454.596 3.425 20 0 JGADMO Cc1ccc(CN(C)c2nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n2)cc1 ZINC001165017028 721836580 /nfs/dbraw/zinc/83/65/80/721836580.db2.gz HALHQVMFYHHTBA-UHFFFAOYSA-N 1 1 466.655 3.220 20 0 JGADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923666 721870333 /nfs/dbraw/zinc/87/03/33/721870333.db2.gz JVWAEHIQSPVVOA-MSOLQXFVSA-N 1 1 451.999 3.080 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923666 721870336 /nfs/dbraw/zinc/87/03/36/721870336.db2.gz JVWAEHIQSPVVOA-MSOLQXFVSA-N 1 1 451.999 3.080 20 0 JGADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923667 721870534 /nfs/dbraw/zinc/87/05/34/721870534.db2.gz JVWAEHIQSPVVOA-QZTJIDSGSA-N 1 1 451.999 3.080 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923667 721870535 /nfs/dbraw/zinc/87/05/35/721870535.db2.gz JVWAEHIQSPVVOA-QZTJIDSGSA-N 1 1 451.999 3.080 20 0 JGADMO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001165035357 721875432 /nfs/dbraw/zinc/87/54/32/721875432.db2.gz UOKOLSXUBZBXOM-SJLPKXTDSA-N 1 1 485.654 3.060 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164930883 721879058 /nfs/dbraw/zinc/87/90/58/721879058.db2.gz DGJXLXSJDAXKNK-XZOQPEGZSA-N 1 1 492.693 3.405 20 0 JGADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164930883 721879059 /nfs/dbraw/zinc/87/90/59/721879059.db2.gz DGJXLXSJDAXKNK-XZOQPEGZSA-N 1 1 492.693 3.405 20 0 JGADMO COC(=O)C1CCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nn2)CC1 ZINC001164940598 721928422 /nfs/dbraw/zinc/92/84/22/721928422.db2.gz UQFCMCPUSDHJHH-UHFFFAOYSA-N 1 1 479.625 3.046 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939606 721929710 /nfs/dbraw/zinc/92/97/10/721929710.db2.gz MZIJSPJSCATIFX-UHFFFAOYSA-N 1 1 463.582 3.325 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)N5CCCC5)cn4)CC3)C2)cc1 ZINC001164939447 721931393 /nfs/dbraw/zinc/93/13/93/721931393.db2.gz LKSRXWKTLGQCHB-UHFFFAOYSA-N 1 1 470.639 3.046 20 0 JGADMO COc1ccc(-c2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nn2)c(OC)c1OC ZINC001165044030 721961396 /nfs/dbraw/zinc/96/13/96/721961396.db2.gz CTGYSZBPGSYZJI-UHFFFAOYSA-N 1 1 450.539 3.370 20 0 JGADMO CCOc1cc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2cc1OCC ZINC001164947265 721974455 /nfs/dbraw/zinc/97/44/55/721974455.db2.gz OBQPUYJHPSHUCA-UHFFFAOYSA-N 1 1 475.593 3.398 20 0 JGADMO CCOc1cc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2cc1OCC ZINC001164947265 721974457 /nfs/dbraw/zinc/97/44/57/721974457.db2.gz OBQPUYJHPSHUCA-UHFFFAOYSA-N 1 1 475.593 3.398 20 0 JGADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164946760 721977385 /nfs/dbraw/zinc/97/73/85/721977385.db2.gz KOBYHEUCKLASBY-UHFFFAOYSA-N 1 1 457.365 3.303 20 0 JGADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164946760 721977388 /nfs/dbraw/zinc/97/73/88/721977388.db2.gz KOBYHEUCKLASBY-UHFFFAOYSA-N 1 1 457.365 3.303 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]4CN(S(C)(=O)=O)C[C@H]43)c2c1C ZINC001164950172 721985136 /nfs/dbraw/zinc/98/51/36/721985136.db2.gz IZMOPBHQVBINOZ-ZWKOTPCHSA-N 1 1 463.673 3.154 20 0 JGADMO CC(C)(C)OC(=O)[C@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)C1 ZINC001165051294 721993253 /nfs/dbraw/zinc/99/32/53/721993253.db2.gz GVZVYMJHMIHNDV-OALUTQOASA-N 1 1 474.646 3.439 20 0 JGADMO CC(C)(C)OC(=O)[C@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)C1 ZINC001165051294 721993256 /nfs/dbraw/zinc/99/32/56/721993256.db2.gz GVZVYMJHMIHNDV-OALUTQOASA-N 1 1 474.646 3.439 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C[C@H](C(=O)N5CCOCC5)CO4)CC3)c2c1C ZINC001164965401 722045533 /nfs/dbraw/zinc/04/55/33/722045533.db2.gz XWWVBXYHCJCELB-FQEVSTJZSA-N 1 1 499.681 3.138 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1Cl ZINC001164961182 722052382 /nfs/dbraw/zinc/05/23/82/722052382.db2.gz UMLHZKJRGSKRPS-UHFFFAOYSA-N 1 1 495.958 3.366 20 0 JGADMO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963852 722055657 /nfs/dbraw/zinc/05/56/57/722055657.db2.gz OAJZAKFTCSZDDK-UHFFFAOYSA-N 1 1 461.566 3.321 20 0 JGADMO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164964575 722056041 /nfs/dbraw/zinc/05/60/41/722056041.db2.gz VTZZWSWYPXDQNB-UHFFFAOYSA-N 1 1 461.566 3.321 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164963367 722060538 /nfs/dbraw/zinc/06/05/38/722060538.db2.gz XNBOFZDPACGKKW-UHFFFAOYSA-N 1 1 487.670 3.063 20 0 JGADMO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164965776 722066567 /nfs/dbraw/zinc/06/65/67/722066567.db2.gz MMGJBXSHHXSCHC-UHFFFAOYSA-N 1 1 476.650 3.482 20 0 JGADMO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164965776 722066570 /nfs/dbraw/zinc/06/65/70/722066570.db2.gz MMGJBXSHHXSCHC-UHFFFAOYSA-N 1 1 476.650 3.482 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164972140 722085284 /nfs/dbraw/zinc/08/52/84/722085284.db2.gz LEZVBKFEJLIQSF-GIVPXCGWSA-N 1 1 497.684 3.012 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C2)nc1 ZINC001164977672 722088535 /nfs/dbraw/zinc/08/85/35/722088535.db2.gz XMWWKNLGHRSIGP-NVQXNPDNSA-N 1 1 455.647 3.362 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@@H]32)n1 ZINC001164979347 722093300 /nfs/dbraw/zinc/09/33/00/722093300.db2.gz JTOJBUYNSFPDKX-BBTUJRGHSA-N 1 1 497.669 3.050 20 0 JGADMO Cn1cc(N2C[C@@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]3C2=O)cn1 ZINC001164984434 722095923 /nfs/dbraw/zinc/09/59/23/722095923.db2.gz WDRTWZQTNSTYIO-HKUYNNGSSA-N 1 1 473.606 3.253 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164983492 722099863 /nfs/dbraw/zinc/09/98/63/722099863.db2.gz QMDXMSCYGMIQJT-MOPGFXCFSA-N 1 1 467.595 3.299 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981639 722100030 /nfs/dbraw/zinc/10/00/30/722100030.db2.gz LUSSAUHRWQWPBW-IFMALSPDSA-N 1 1 486.576 3.182 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1)N1CCCCC1 ZINC001164980780 722105733 /nfs/dbraw/zinc/10/57/33/722105733.db2.gz KJRMVHCKWYVBPW-RBBKRZOGSA-N 1 1 470.017 3.483 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164980494 722120464 /nfs/dbraw/zinc/12/04/64/722120464.db2.gz RIVKTACOWVBEAT-VGSWGCGISA-N 1 1 469.973 3.423 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979018 722124592 /nfs/dbraw/zinc/12/45/92/722124592.db2.gz ORWGDNFLWFIZHD-JKSUJKDBSA-N 1 1 466.369 3.082 20 0 JGADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981972 722127014 /nfs/dbraw/zinc/12/70/14/722127014.db2.gz VLCAXKZHIJHRKY-AEFFLSMTSA-N 1 1 460.916 3.345 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974396 722132693 /nfs/dbraw/zinc/13/26/93/722132693.db2.gz DQJRLEVLJUHMLU-RCZVLFRGSA-N 1 1 474.609 3.138 20 0 JGADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983816 722146428 /nfs/dbraw/zinc/14/64/28/722146428.db2.gz VJPXHQKCMRKGSP-FVJLSDCUSA-N 1 1 471.911 3.058 20 0 JGADMO COc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c(OC)c1OC ZINC001164977977 722151302 /nfs/dbraw/zinc/15/13/02/722151302.db2.gz JAHYPWFHBUCGSE-RDPSFJRHSA-N 1 1 491.592 3.292 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972450 722153445 /nfs/dbraw/zinc/15/34/45/722153445.db2.gz HVPGDTJXFDXWOA-HKUYNNGSSA-N 1 1 481.931 3.494 20 0 JGADMO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC[C@H]32)cs1 ZINC001164991727 722186281 /nfs/dbraw/zinc/18/62/81/722186281.db2.gz UPAHVSWPZLVOBG-DHIUTWEWSA-N 1 1 457.644 3.189 20 0 JGADMO COC(=O)C1CCN(c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164997224 722203316 /nfs/dbraw/zinc/20/33/16/722203316.db2.gz XILBWIJFPZFXIP-RUZDIDTESA-N 1 1 453.562 3.250 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4C[C@H](C(=O)NC(C)C)C[C@H]43)c2c1C ZINC001164995105 722216188 /nfs/dbraw/zinc/21/61/88/722216188.db2.gz GPQTWFNHBCCMMB-GUDVDZBRSA-N 1 1 457.644 3.412 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001164999427 722218854 /nfs/dbraw/zinc/21/88/54/722218854.db2.gz QTYHMIAOGVVKMR-OZXSUGGESA-N 1 1 462.598 3.455 20 0 JGADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001898 722236990 /nfs/dbraw/zinc/23/69/90/722236990.db2.gz OKCOKHHQZHBVHX-UHFFFAOYSA-N 1 1 481.000 3.212 20 0 JGADMO Cc1sc2nc(CN3CCCC3)nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1C ZINC001165002835 722237741 /nfs/dbraw/zinc/23/77/41/722237741.db2.gz ZOTRMOKFMKAHBG-UHFFFAOYSA-N 1 1 492.697 3.051 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165003127 722241656 /nfs/dbraw/zinc/24/16/56/722241656.db2.gz IIEUEXJZVSCYQB-NZQKXSOJSA-N 1 1 474.613 3.072 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305794162 1069311375 /nfs/dbraw/zinc/31/13/75/1069311375.db2.gz INYNCJPEWMYCNA-OFNKIYASSA-N 1 1 468.646 3.425 20 0 JGADMO CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)OC ZINC001305805388 1069332399 /nfs/dbraw/zinc/33/23/99/1069332399.db2.gz BFOWOXMMJLHLRH-VQTJNVASSA-N 1 1 452.603 3.384 20 0 JGADMO CC[C@H](Cn1c(C)nnc1N1CCN(C(=O)N(CC)CC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001305807500 1069336068 /nfs/dbraw/zinc/33/60/68/1069336068.db2.gz JEGYVANHEWZZBE-HSZRJFAPSA-N 1 1 453.635 3.007 20 0 JGADMO CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001305822723 1069358962 /nfs/dbraw/zinc/35/89/62/1069358962.db2.gz YXEFIELWBQDSGY-MOPGFXCFSA-N 1 1 457.623 3.261 20 0 JGADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305832734 1069373307 /nfs/dbraw/zinc/37/33/07/1069373307.db2.gz AQKVNUSJJZKMHC-UQBPGWFLSA-N 1 1 478.682 3.471 20 0 JGADMO CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305834664 1069376048 /nfs/dbraw/zinc/37/60/48/1069376048.db2.gz PZKDBMXUKIEKOY-UMEGOILYSA-N 1 1 492.665 3.124 20 0 JGADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305839298 1069384817 /nfs/dbraw/zinc/38/48/17/1069384817.db2.gz UOMYEYGCGBMIGV-FGZHOGPDSA-N 1 1 473.687 3.327 20 0 JGADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001305839298 1069384830 /nfs/dbraw/zinc/38/48/30/1069384830.db2.gz UOMYEYGCGBMIGV-FGZHOGPDSA-N 1 1 473.687 3.327 20 0 JGADMO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305842545 1069391521 /nfs/dbraw/zinc/39/15/21/1069391521.db2.gz BVNKXHLGICJTGF-NJYVYQBISA-N 1 1 486.665 3.116 20 0 JGADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001305844311 1069393946 /nfs/dbraw/zinc/39/39/46/1069393946.db2.gz XXANIFDYTQWZSE-OAQYLSRUSA-N 1 1 471.650 3.488 20 0 JGADMO CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CCC(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001305844857 1069394397 /nfs/dbraw/zinc/39/43/97/1069394397.db2.gz RMZJZMWSNPZUMM-JOCHJYFZSA-N 1 1 466.655 3.340 20 0 JGADMO CCC(O)(CC)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001305854327 1069409142 /nfs/dbraw/zinc/40/91/42/1069409142.db2.gz MJDVIDIHFUTGNC-UHFFFAOYSA-N 1 1 464.614 3.146 20 0 JGADMO CC[C@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCOC(C)C)CC2)O1 ZINC001305860922 1069417312 /nfs/dbraw/zinc/41/73/12/1069417312.db2.gz PHUCPNAHDHGOOW-WIOPSUGQSA-N 1 1 456.635 3.159 20 0 JGADMO CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)C1 ZINC001305868766 1069423846 /nfs/dbraw/zinc/42/38/46/1069423846.db2.gz ULTWJPVGMQYJEB-HXUWFJFHSA-N 1 1 451.413 3.384 20 0 JGADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001305871303 1069425651 /nfs/dbraw/zinc/42/56/51/1069425651.db2.gz WQQPUJDXCZRIBB-CLOONOSVSA-N 1 1 457.619 3.436 20 0 JGADMO CC[C@]1(C)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCCOC)C1 ZINC001305874500 1069428261 /nfs/dbraw/zinc/42/82/61/1069428261.db2.gz MIAAJPZDNKXZDD-NBGIEHNGSA-N 1 1 494.681 3.181 20 0 JGADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001305883002 1069436442 /nfs/dbraw/zinc/43/64/42/1069436442.db2.gz QAJGEELSDQZZCV-KHCICDEESA-N 1 1 455.607 3.051 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001305885868 1069441881 /nfs/dbraw/zinc/44/18/81/1069441881.db2.gz LNENMCOGHGDILW-OFVILXPXSA-N 1 1 472.609 3.032 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001305885869 1069441915 /nfs/dbraw/zinc/44/19/15/1069441915.db2.gz LNENMCOGHGDILW-PXDATVDWSA-N 1 1 472.609 3.032 20 0 JGADMO CC[C@@]1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC001305890039 1069446693 /nfs/dbraw/zinc/44/66/93/1069446693.db2.gz CNDRTHFXKDMJCN-DHLKQENFSA-N 1 1 489.686 3.074 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305887867 1069444795 /nfs/dbraw/zinc/44/47/95/1069444795.db2.gz RRZCDHSXNFKZTQ-BVFVYWQFSA-N 1 1 487.645 3.467 20 0 JGADMO CC[C@]1(C)CN(c2nnc(Cc3ccccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001305892555 1069449832 /nfs/dbraw/zinc/44/98/32/1069449832.db2.gz YIAHJGRWRSOKAV-SQJMNOBHSA-N 1 1 459.610 3.250 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001305892548 1069449966 /nfs/dbraw/zinc/44/99/66/1069449966.db2.gz YIAHJGRWRSOKAV-BWKNWUBXSA-N 1 1 459.610 3.250 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001305893490 1069450551 /nfs/dbraw/zinc/45/05/51/1069450551.db2.gz LHLCOKCKJSDGLC-OTWHNJEPSA-N 1 1 454.685 3.025 20 0 JGADMO CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCCC1 ZINC001305898483 1069455988 /nfs/dbraw/zinc/45/59/88/1069455988.db2.gz GWKOBOYGTJDCOD-SZPZYZBQSA-N 1 1 473.710 3.382 20 0 JGADMO C[N@H+]1C[C@@]23CN(C(=O)CCOc4ccccc4I)C[C@]2(C1)CCCC3 ZINC001305905202 1069461177 /nfs/dbraw/zinc/46/11/77/1069461177.db2.gz HBAXSYCMRNZXGT-BGYRXZFFSA-N 1 1 454.352 3.395 20 0 JGADMO CCc1ccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC001305914680 1069469763 /nfs/dbraw/zinc/46/97/63/1069469763.db2.gz DUXHDMPVBBDATF-QHCPKHFHSA-N 1 1 482.654 3.219 20 0 JGADMO CCc1ccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001305919114 1069474190 /nfs/dbraw/zinc/47/41/90/1069474190.db2.gz HSFCUPRHCNCFRR-STEQJIOHSA-N 1 1 482.673 3.238 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305918779 1069474255 /nfs/dbraw/zinc/47/42/55/1069474255.db2.gz MHFNXELOGMLLKA-FDFHNCONSA-N 1 1 475.659 3.008 20 0 JGADMO CN(CC(=O)N1CCOCC1)c1nnc(CC2CCCC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001298207237 1064124215 /nfs/dbraw/zinc/12/42/15/1064124215.db2.gz XNWMIARHPTXWJF-QFIPXVFZSA-N 1 1 489.064 3.262 20 0 JGADMO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298221968 1064136164 /nfs/dbraw/zinc/13/61/64/1064136164.db2.gz LOCLOOIJWCHTBR-UHFFFAOYSA-N 1 1 498.031 3.103 20 0 JGADMO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298221968 1064136167 /nfs/dbraw/zinc/13/61/67/1064136167.db2.gz LOCLOOIJWCHTBR-UHFFFAOYSA-N 1 1 498.031 3.103 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CCNC(=O)c1cccs1 ZINC001298235464 1064140859 /nfs/dbraw/zinc/14/08/59/1064140859.db2.gz FGJPZJVXDWRVDR-UHFFFAOYSA-N 1 1 482.654 3.231 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1Cc1ccc(F)cc1F ZINC001298235939 1064141431 /nfs/dbraw/zinc/14/14/31/1064141431.db2.gz MEJKGYBUEFKREJ-UHFFFAOYSA-N 1 1 456.541 3.461 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001298239849 1064144482 /nfs/dbraw/zinc/14/44/82/1064144482.db2.gz KUHFYMSAPVPMKN-QFQXNSOFSA-N 1 1 477.694 3.390 20 0 JGADMO CN(CC(F)(F)F)c1nnc(-c2cc(Br)cn2C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298240497 1064146116 /nfs/dbraw/zinc/14/61/16/1064146116.db2.gz NROTVTRRKHXDTE-HNNXBMFYSA-N 1 1 493.372 3.282 20 0 JGADMO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001298261863 1064156905 /nfs/dbraw/zinc/15/69/05/1064156905.db2.gz DJPOPAOKPQOCFC-CUYVQJCZSA-N 1 1 453.377 3.251 20 0 JGADMO CN(Cc1cc(Cl)ccn1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CC=CCC1 ZINC001298265841 1064159516 /nfs/dbraw/zinc/15/95/16/1064159516.db2.gz LWDMEAYQMLQICX-UHFFFAOYSA-N 1 1 472.018 3.216 20 0 JGADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CCC1 ZINC001298268403 1064160579 /nfs/dbraw/zinc/16/05/79/1064160579.db2.gz RXMYHEGRICDJLJ-UHFFFAOYSA-N 1 1 451.592 3.289 20 0 JGADMO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(Cc2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298269527 1064162014 /nfs/dbraw/zinc/16/20/14/1064162014.db2.gz UNCZQPQGXVUEJC-UHFFFAOYSA-N 1 1 487.574 3.344 20 0 JGADMO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298269527 1064162019 /nfs/dbraw/zinc/16/20/19/1064162019.db2.gz UNCZQPQGXVUEJC-UHFFFAOYSA-N 1 1 487.574 3.344 20 0 JGADMO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298269527 1064162027 /nfs/dbraw/zinc/16/20/27/1064162027.db2.gz UNCZQPQGXVUEJC-UHFFFAOYSA-N 1 1 487.574 3.344 20 0 JGADMO CN(Cc1cc2c(cc1OC(F)F)OCO2)c1nnc(C(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001298273445 1064163730 /nfs/dbraw/zinc/16/37/30/1064163730.db2.gz LVMDUMOXSCSZDV-UHFFFAOYSA-N 1 1 481.544 3.264 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc(Cc2cccnc2)n1CCC[NH+]1CCOCC1 ZINC001298275252 1064166035 /nfs/dbraw/zinc/16/60/35/1064166035.db2.gz WOXOIMHTDAVGEI-UHFFFAOYSA-N 1 1 485.430 3.385 20 0 JGADMO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298282245 1064168669 /nfs/dbraw/zinc/16/86/69/1064168669.db2.gz APBZPGBNJPYYHK-HNNXBMFYSA-N 1 1 484.464 3.353 20 0 JGADMO CN(Cc1ccc(Br)s1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298282245 1064168677 /nfs/dbraw/zinc/16/86/77/1064168677.db2.gz APBZPGBNJPYYHK-HNNXBMFYSA-N 1 1 484.464 3.353 20 0 JGADMO CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)[C@H]1c1ccc(Cl)c(F)c1 ZINC001298288266 1064174373 /nfs/dbraw/zinc/17/43/73/1064174373.db2.gz IXPDFRUTIGQWMT-XGHQBKJUSA-N 1 1 453.986 3.130 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@@H]2CCOC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001298316327 1064191071 /nfs/dbraw/zinc/19/10/71/1064191071.db2.gz AAFKZALYLYNEBF-OAQYLSRUSA-N 1 1 489.686 3.477 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298317348 1064192578 /nfs/dbraw/zinc/19/25/78/1064192578.db2.gz RIJZPVAHKYPMJK-IFMALSPDSA-N 1 1 489.686 3.332 20 0 JGADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CO)Cc2ccccc21 ZINC001298335460 1064207437 /nfs/dbraw/zinc/20/74/37/1064207437.db2.gz YXHQAZJQTHVNRC-IFMALSPDSA-N 1 1 453.583 3.210 20 0 JGADMO CN(Cc1cccc(OC(F)F)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCC1 ZINC001298342007 1064210442 /nfs/dbraw/zinc/21/04/42/1064210442.db2.gz NMOSXKQLZLALAU-IBGZPJMESA-N 1 1 462.545 3.341 20 0 JGADMO C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001298348881 1064212896 /nfs/dbraw/zinc/21/28/96/1064212896.db2.gz MHGIGJUIGRVVIM-GVCORALISA-N 1 1 453.558 3.021 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)C1 ZINC001298349232 1064213261 /nfs/dbraw/zinc/21/32/61/1064213261.db2.gz BITHMWUUTZVYRS-VXKWHMMOSA-N 1 1 468.646 3.045 20 0 JGADMO Cn1cc(-c2nnc(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n2CCCNC(=O)OC(C)(C)C)cn1 ZINC001298349180 1064213402 /nfs/dbraw/zinc/21/34/02/1064213402.db2.gz AKEFQEYYXYZVSF-QFIPXVFZSA-N 1 1 494.644 3.304 20 0 JGADMO CN(Cc1ccccc1Br)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298350322 1064213792 /nfs/dbraw/zinc/21/37/92/1064213792.db2.gz HQFRGHXYKBJRCA-SFHVURJKSA-N 1 1 478.435 3.292 20 0 JGADMO CN(Cc1ccccc1Br)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298350322 1064213800 /nfs/dbraw/zinc/21/38/00/1064213800.db2.gz HQFRGHXYKBJRCA-SFHVURJKSA-N 1 1 478.435 3.292 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(C3CCCC3)n2CC(=O)NCC(F)(F)F)C1 ZINC001298351184 1064214622 /nfs/dbraw/zinc/21/46/22/1064214622.db2.gz SBBBVTZQIYWJGW-IBGZPJMESA-N 1 1 464.536 3.325 20 0 JGADMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)[C@H]2C1 ZINC001298378290 1064225402 /nfs/dbraw/zinc/22/54/02/1064225402.db2.gz XIZIYSVASVMQQB-OFNKIYASSA-N 1 1 455.624 3.239 20 0 JGADMO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1OC ZINC001298379103 1064225801 /nfs/dbraw/zinc/22/58/01/1064225801.db2.gz ZAQVGFPJYXUAOH-ATZDWAIDSA-N 1 1 453.539 3.117 20 0 JGADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001298378805 1064226054 /nfs/dbraw/zinc/22/60/54/1064226054.db2.gz QAZBBFGHGHWTTK-AZUAARDMSA-N 1 1 459.493 3.098 20 0 JGADMO CN(Cc1ccoc1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001298419615 1064244027 /nfs/dbraw/zinc/24/40/27/1064244027.db2.gz ZFZHZDWNMHNNJC-HXUWFJFHSA-N 1 1 472.590 3.078 20 0 JGADMO CN(Cc1csc(Br)c1)c1nnc(Cc2ccncc2)n1CCC[NH+]1CCOCC1 ZINC001298423905 1064245668 /nfs/dbraw/zinc/24/56/68/1064245668.db2.gz AFHRPIAWZNTCQJ-UHFFFAOYSA-N 1 1 491.459 3.447 20 0 JGADMO CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298439465 1064251974 /nfs/dbraw/zinc/25/19/74/1064251974.db2.gz CELOLFDFVKAJTP-OAHLLOKOSA-N 1 1 487.596 3.267 20 0 JGADMO CN(Cc1ncc(Cl)n1C)c1nnc(C2CCCC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001298450320 1064257975 /nfs/dbraw/zinc/25/79/75/1064257975.db2.gz FRUQWFPIBDCDBG-GOSISDBHSA-N 1 1 450.031 3.196 20 0 JGADMO CN(CC1CC(F)C1)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298486795 1064276042 /nfs/dbraw/zinc/27/60/42/1064276042.db2.gz GICJMMOOKFNTRT-UHFFFAOYSA-N 1 1 451.537 3.442 20 0 JGADMO CN(CC1CC(F)C1)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298486795 1064276054 /nfs/dbraw/zinc/27/60/54/1064276054.db2.gz GICJMMOOKFNTRT-UHFFFAOYSA-N 1 1 451.537 3.442 20 0 JGADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cnn(-c4ccccc4)c3I)C2)C1 ZINC001298518210 1064287550 /nfs/dbraw/zinc/28/75/50/1064287550.db2.gz FZIIGDIQCIZCDH-LJQANCHMSA-N 1 1 450.324 3.035 20 0 JGADMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c(c3)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N4)C2)C1 ZINC001298519448 1064288475 /nfs/dbraw/zinc/28/84/75/1064288475.db2.gz SRFDONLCCRIISC-NLFFAJNJSA-N 1 1 456.587 3.023 20 0 JGADMO CN(C[C@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298538446 1064300549 /nfs/dbraw/zinc/30/05/49/1064300549.db2.gz ZPUUOPAPXODSLQ-RTBURBONSA-N 1 1 455.607 3.051 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC(F)(F)F ZINC001298565269 1064334638 /nfs/dbraw/zinc/33/46/38/1064334638.db2.gz BINDLXMCQQTOET-PMACEKPBSA-N 1 1 494.562 3.157 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)Br ZINC001298568690 1064342416 /nfs/dbraw/zinc/34/24/16/1064342416.db2.gz XVJGCXBZIVFKMM-SJORKVTESA-N 1 1 497.388 3.175 20 0 JGADMO CN(CC1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001298579831 1064354130 /nfs/dbraw/zinc/35/41/30/1064354130.db2.gz JUGOSMOIYCDYGV-QHCPKHFHSA-N 1 1 455.647 3.344 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(C(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001298583078 1064356152 /nfs/dbraw/zinc/35/61/52/1064356152.db2.gz IDMNLDAJWPIZMO-UHFFFAOYSA-N 1 1 485.677 3.018 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298591391 1064364805 /nfs/dbraw/zinc/36/48/05/1064364805.db2.gz FLIATMDPCCMKKV-OAHLLOKOSA-N 1 1 453.513 3.434 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@H]2CCCOC2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298595512 1064371083 /nfs/dbraw/zinc/37/10/83/1064371083.db2.gz HACNDIBQLCVSTE-NRFANRHFSA-N 1 1 480.579 3.379 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+](C)C1CCCC1 ZINC001298611714 1064382157 /nfs/dbraw/zinc/38/21/57/1064382157.db2.gz YABMXBTZDZHJGK-UHFFFAOYSA-N 1 1 469.606 3.204 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(Cc2ccccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298648568 1064422679 /nfs/dbraw/zinc/42/26/79/1064422679.db2.gz GQIQCNIKDGEMTF-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(Cc2ccccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298648568 1064422689 /nfs/dbraw/zinc/42/26/89/1064422689.db2.gz GQIQCNIKDGEMTF-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298648568 1064422697 /nfs/dbraw/zinc/42/26/97/1064422697.db2.gz GQIQCNIKDGEMTF-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO C[N@@H+](CCCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CCCCC1 ZINC001298669514 1064450843 /nfs/dbraw/zinc/45/08/43/1064450843.db2.gz GKKUXJIZHCDCLM-IBGZPJMESA-N 1 1 493.578 3.500 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001298673731 1064458020 /nfs/dbraw/zinc/45/80/20/1064458020.db2.gz BCSBGXKHKSGJDU-SFHVURJKSA-N 1 1 473.565 3.091 20 0 JGADMO C[N@@H+](CCCn1c(CC2CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298675830 1064464431 /nfs/dbraw/zinc/46/44/31/1064464431.db2.gz NQCSOBFNYWNFOL-OAQYLSRUSA-N 1 1 451.681 3.289 20 0 JGADMO CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001298678851 1064468146 /nfs/dbraw/zinc/46/81/46/1064468146.db2.gz HOHZIACZUBLZNA-YPAWHYETSA-N 1 1 495.734 3.475 20 0 JGADMO CN(CCCOc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298682139 1064474475 /nfs/dbraw/zinc/47/44/75/1064474475.db2.gz AUTBEOSMUVWDIO-UHFFFAOYSA-N 1 1 470.593 3.439 20 0 JGADMO CN(CCCOc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001298682139 1064474482 /nfs/dbraw/zinc/47/44/82/1064474482.db2.gz AUTBEOSMUVWDIO-UHFFFAOYSA-N 1 1 470.593 3.439 20 0 JGADMO Cn1cccc1-c1nnc(N2CCc3oncc3C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001298683562 1064477838 /nfs/dbraw/zinc/47/78/38/1064477838.db2.gz PUZXNZFSGWHBSM-UHFFFAOYSA-N 1 1 498.632 3.071 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001298689324 1064485220 /nfs/dbraw/zinc/48/52/20/1064485220.db2.gz AEMHMFGIMCDLGI-SFHVURJKSA-N 1 1 477.034 3.167 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CCCCC1 ZINC001298697312 1064498862 /nfs/dbraw/zinc/49/88/62/1064498862.db2.gz KSNDPOLXIBRVMS-UHFFFAOYSA-N 1 1 481.066 3.271 20 0 JGADMO C[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298697389 1064499185 /nfs/dbraw/zinc/49/91/85/1064499185.db2.gz FMVQQMHRFOBPSF-FQEVSTJZSA-N 1 1 466.051 3.486 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CCCC1 ZINC001298699042 1064502424 /nfs/dbraw/zinc/50/24/24/1064502424.db2.gz YQAGZOFZOILTBS-UHFFFAOYSA-N 1 1 466.051 3.486 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)cn1 ZINC001298704165 1064506312 /nfs/dbraw/zinc/50/63/12/1064506312.db2.gz JMQOHPPUAZGZPS-LJQANCHMSA-N 1 1 486.665 3.294 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1)Cc1ccc(F)cc1 ZINC001298704623 1064507519 /nfs/dbraw/zinc/50/75/19/1064507519.db2.gz MCVKYAIELNNTDP-LJQANCHMSA-N 1 1 464.467 3.379 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)C1CCCCC1 ZINC001298704551 1064507577 /nfs/dbraw/zinc/50/75/77/1064507577.db2.gz IULABQWUWXTLNM-UHFFFAOYSA-N 1 1 468.650 3.235 20 0 JGADMO C[N@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298708734 1064514495 /nfs/dbraw/zinc/51/44/95/1064514495.db2.gz NTCQVBKWARYJRC-VXKWHMMOSA-N 1 1 475.659 3.055 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298708734 1064514510 /nfs/dbraw/zinc/51/45/10/1064514510.db2.gz NTCQVBKWARYJRC-VXKWHMMOSA-N 1 1 475.659 3.055 20 0 JGADMO CN(CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1)C(=O)OC(C)(C)C ZINC001298714330 1064523807 /nfs/dbraw/zinc/52/38/07/1064523807.db2.gz MQKQNIYWCYWJRG-IBGZPJMESA-N 1 1 490.674 3.423 20 0 JGADMO C[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)C1CCCC1 ZINC001298717775 1064528042 /nfs/dbraw/zinc/52/80/42/1064528042.db2.gz RKMHFROXWZFHEL-UHFFFAOYSA-N 1 1 461.010 3.087 20 0 JGADMO C[N@@H+](CCn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C)C1CCCC1 ZINC001298719601 1064530116 /nfs/dbraw/zinc/53/01/16/1064530116.db2.gz MJBXAZNNSISPRU-OAQYLSRUSA-N 1 1 480.723 3.281 20 0 JGADMO C[N@@H+](CCn1c(N2CCN(Cc3cscn3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298720456 1064531640 /nfs/dbraw/zinc/53/16/40/1064531640.db2.gz YBPWPEICNCOXFG-UHFFFAOYSA-N 1 1 453.660 3.486 20 0 JGADMO CN(CCn1cccn1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298721162 1064532324 /nfs/dbraw/zinc/53/23/24/1064532324.db2.gz WQRBSMYIGXHMEZ-OAQYLSRUSA-N 1 1 499.063 3.315 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001298727131 1064535505 /nfs/dbraw/zinc/53/55/05/1064535505.db2.gz BMURQITVKYFMMR-UHFFFAOYSA-N 1 1 464.614 3.163 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001298727131 1064535519 /nfs/dbraw/zinc/53/55/19/1064535519.db2.gz BMURQITVKYFMMR-UHFFFAOYSA-N 1 1 464.614 3.163 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@H](CO)O1 ZINC001298727214 1064535894 /nfs/dbraw/zinc/53/58/94/1064535894.db2.gz CZVYJXCQHWHZLQ-ZWKOTPCHSA-N 1 1 498.455 3.339 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@H](CO)O1 ZINC001298727214 1064535908 /nfs/dbraw/zinc/53/59/08/1064535908.db2.gz CZVYJXCQHWHZLQ-ZWKOTPCHSA-N 1 1 498.455 3.339 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1Cc1nnc(C(C)(C)C)s1 ZINC001298727481 1064536396 /nfs/dbraw/zinc/53/63/96/1064536396.db2.gz FDLGHYMMFOJFST-UHFFFAOYSA-N 1 1 458.636 3.018 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1Cc1nnc(C(C)(C)C)s1 ZINC001298727481 1064536410 /nfs/dbraw/zinc/53/64/10/1064536410.db2.gz FDLGHYMMFOJFST-UHFFFAOYSA-N 1 1 458.636 3.018 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001298727618 1064537123 /nfs/dbraw/zinc/53/71/23/1064537123.db2.gz HWZUXVZPLPODHX-UHFFFAOYSA-N 1 1 473.572 3.386 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001298727618 1064537138 /nfs/dbraw/zinc/53/71/38/1064537138.db2.gz HWZUXVZPLPODHX-UHFFFAOYSA-N 1 1 473.572 3.386 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1Cc1cc(COC(C)(C)C)on1 ZINC001298727863 1064537859 /nfs/dbraw/zinc/53/78/59/1064537859.db2.gz JXLJUQZRFNUBBC-UHFFFAOYSA-N 1 1 485.633 3.182 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1Cc1cc(COC(C)(C)C)on1 ZINC001298727863 1064537871 /nfs/dbraw/zinc/53/78/71/1064537871.db2.gz JXLJUQZRFNUBBC-UHFFFAOYSA-N 1 1 485.633 3.182 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2F)n1CCCOC1CCOCC1 ZINC001298728579 1064541741 /nfs/dbraw/zinc/54/17/41/1064541741.db2.gz XECSOUUIVGECKE-UHFFFAOYSA-N 1 1 475.609 3.217 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2F)n1CCCOC1CCOCC1 ZINC001298728579 1064541759 /nfs/dbraw/zinc/54/17/59/1064541759.db2.gz XECSOUUIVGECKE-UHFFFAOYSA-N 1 1 475.609 3.217 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2)n1CCOCC(F)F ZINC001298728683 1064542093 /nfs/dbraw/zinc/54/20/93/1064542093.db2.gz ZKPWOZXIHHJLRT-UHFFFAOYSA-N 1 1 457.953 3.427 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2)n1CCOCC(F)F ZINC001298728683 1064542107 /nfs/dbraw/zinc/54/21/07/1064542107.db2.gz ZKPWOZXIHHJLRT-UHFFFAOYSA-N 1 1 457.953 3.427 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1CCn1cnc2ccccc21 ZINC001298729170 1064542644 /nfs/dbraw/zinc/54/26/44/1064542644.db2.gz GTXXJAINBSOUSE-UHFFFAOYSA-N 1 1 453.635 3.464 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1CCn1cnc2ccccc21 ZINC001298729170 1064542656 /nfs/dbraw/zinc/54/26/56/1064542656.db2.gz GTXXJAINBSOUSE-UHFFFAOYSA-N 1 1 453.635 3.464 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1Cc1ccc2nsnc2c1 ZINC001298729098 1064542963 /nfs/dbraw/zinc/54/29/63/1064542963.db2.gz FYHAUXNBKNFTKB-UHFFFAOYSA-N 1 1 457.648 3.467 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1Cc1ccc2nsnc2c1 ZINC001298729098 1064542977 /nfs/dbraw/zinc/54/29/77/1064542977.db2.gz FYHAUXNBKNFTKB-UHFFFAOYSA-N 1 1 457.648 3.467 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1Cc1cscc1C(F)(F)F ZINC001298729733 1064544432 /nfs/dbraw/zinc/54/44/32/1064544432.db2.gz NLQUDIVSVCQBHQ-OAHLLOKOSA-N 1 1 473.565 3.458 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1Cc1cscc1C(F)(F)F ZINC001298729733 1064544441 /nfs/dbraw/zinc/54/44/41/1064544441.db2.gz NLQUDIVSVCQBHQ-OAHLLOKOSA-N 1 1 473.565 3.458 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001298730121 1064544978 /nfs/dbraw/zinc/54/49/78/1064544978.db2.gz RXLKGLLUBGZJMI-PXDATVDWSA-N 1 1 475.609 3.114 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001298730121 1064544993 /nfs/dbraw/zinc/54/49/93/1064544993.db2.gz RXLKGLLUBGZJMI-PXDATVDWSA-N 1 1 475.609 3.114 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001298730395 1064546220 /nfs/dbraw/zinc/54/62/20/1064546220.db2.gz YPXZDLLVCPWNNF-NBGIEHNGSA-N 1 1 463.667 3.050 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001298730395 1064546237 /nfs/dbraw/zinc/54/62/37/1064546237.db2.gz YPXZDLLVCPWNNF-NBGIEHNGSA-N 1 1 463.667 3.050 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001298730440 1064546268 /nfs/dbraw/zinc/54/62/68/1064546268.db2.gz ZRBHGWYMHRJLSP-LJQANCHMSA-N 1 1 463.573 3.489 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001298730440 1064546282 /nfs/dbraw/zinc/54/62/82/1064546282.db2.gz ZRBHGWYMHRJLSP-LJQANCHMSA-N 1 1 463.573 3.489 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1 ZINC001298730396 1064546324 /nfs/dbraw/zinc/54/63/24/1064546324.db2.gz YPXZDLLVCPWNNF-NLFFAJNJSA-N 1 1 463.667 3.050 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1 ZINC001298730396 1064546338 /nfs/dbraw/zinc/54/63/38/1064546338.db2.gz YPXZDLLVCPWNNF-NLFFAJNJSA-N 1 1 463.667 3.050 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298748379 1064560156 /nfs/dbraw/zinc/56/01/56/1064560156.db2.gz PLLBZKFEWZKMOB-UHFFFAOYSA-N 1 1 496.498 3.313 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298748379 1064560170 /nfs/dbraw/zinc/56/01/70/1064560170.db2.gz PLLBZKFEWZKMOB-UHFFFAOYSA-N 1 1 496.498 3.313 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298748379 1064560183 /nfs/dbraw/zinc/56/01/83/1064560183.db2.gz PLLBZKFEWZKMOB-UHFFFAOYSA-N 1 1 496.498 3.313 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298749620 1064560545 /nfs/dbraw/zinc/56/05/45/1064560545.db2.gz DMOKISQTKNUREC-QFIPXVFZSA-N 1 1 465.646 3.495 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298750016 1064561227 /nfs/dbraw/zinc/56/12/27/1064561227.db2.gz MEBCSTNBDSPMHZ-UHFFFAOYSA-N 1 1 481.645 3.493 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298750016 1064561236 /nfs/dbraw/zinc/56/12/36/1064561236.db2.gz MEBCSTNBDSPMHZ-UHFFFAOYSA-N 1 1 481.645 3.493 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001298753732 1064563498 /nfs/dbraw/zinc/56/34/98/1064563498.db2.gz UOINGHMQIPALFL-GOTSBHOMSA-N 1 1 471.646 3.038 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001298753987 1064563845 /nfs/dbraw/zinc/56/38/45/1064563845.db2.gz ZHFLDDVRBMLYHG-RTBURBONSA-N 1 1 495.715 3.330 20 0 JGADMO CN(CCOc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298760178 1064568462 /nfs/dbraw/zinc/56/84/62/1064568462.db2.gz KYNQNKQRISGCCM-UHFFFAOYSA-N 1 1 468.577 3.029 20 0 JGADMO CN(CCOc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298760178 1064568473 /nfs/dbraw/zinc/56/84/73/1064568473.db2.gz KYNQNKQRISGCCM-UHFFFAOYSA-N 1 1 468.577 3.029 20 0 JGADMO CN(CCOc1ccccc1Cl)c1nnc([C@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298767077 1064575061 /nfs/dbraw/zinc/57/50/61/1064575061.db2.gz ZEYLFTAEFRIOMM-OAQYLSRUSA-N 1 1 477.053 3.324 20 0 JGADMO CN(CCOCc1ccccc1)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298771114 1064577906 /nfs/dbraw/zinc/57/79/06/1064577906.db2.gz XJGGCQTZDMPUBK-UHFFFAOYSA-N 1 1 452.603 3.047 20 0 JGADMO CN(CCOCc1ccccc1)c1nnc(-c2cccn2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298771114 1064577918 /nfs/dbraw/zinc/57/79/18/1064577918.db2.gz XJGGCQTZDMPUBK-UHFFFAOYSA-N 1 1 452.603 3.047 20 0 JGADMO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298775479 1064580342 /nfs/dbraw/zinc/58/03/42/1064580342.db2.gz JDJIEVVWFKQMNK-GOSISDBHSA-N 1 1 472.030 3.339 20 0 JGADMO CN(CCS(C)(=O)=O)c1nnc(-c2ccccc2F)n1CCC[N@@H+](C)C1CCCCC1 ZINC001298776398 1064582343 /nfs/dbraw/zinc/58/23/43/1064582343.db2.gz MYHUXDJLTOVOPF-UHFFFAOYSA-N 1 1 451.612 3.220 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccccn2)n1CCCOC(F)F ZINC001298781682 1064585277 /nfs/dbraw/zinc/58/52/77/1064585277.db2.gz GDQGCZZNSRNEFR-FXAWDEMLSA-N 1 1 474.560 3.222 20 0 JGADMO C[NH+]1CCN([C@H](C(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c2ccccc2)CC1 ZINC001298815673 1064617658 /nfs/dbraw/zinc/61/76/58/1064617658.db2.gz HYGCFAHBIFGVQY-NVQXNPDNSA-N 1 1 456.631 3.225 20 0 JGADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)C2 ZINC001298815998 1064617666 /nfs/dbraw/zinc/61/76/66/1064617666.db2.gz JUYCHZLXPQLCKF-BKMJKUGQSA-N 1 1 457.615 3.434 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)CC2)cn1 ZINC001298828786 1064633832 /nfs/dbraw/zinc/63/38/32/1064633832.db2.gz WTCYDGXZEIXAMW-UHFFFAOYSA-N 1 1 473.025 3.254 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3ccc(F)cc3)CC2)cn1 ZINC001298828823 1064633859 /nfs/dbraw/zinc/63/38/59/1064633859.db2.gz XKOMMZLPCBIGRV-SANMLTNESA-N 1 1 483.636 3.359 20 0 JGADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001298846872 1064650570 /nfs/dbraw/zinc/65/05/70/1064650570.db2.gz QFZCILFBLYWYMN-JYFHCDHNSA-N 1 1 450.583 3.411 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc(-c2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298879274 1064684005 /nfs/dbraw/zinc/68/40/05/1064684005.db2.gz OKCCYLIRDVHLDZ-FQEVSTJZSA-N 1 1 462.417 3.472 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298879756 1064684928 /nfs/dbraw/zinc/68/49/28/1064684928.db2.gz QRRLIICQWCFSKC-HSZRJFAPSA-N 1 1 485.430 3.238 20 0 JGADMO CN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@H](CF)c1ccc(Br)cc1 ZINC001298881057 1064686741 /nfs/dbraw/zinc/68/67/41/1064686741.db2.gz ZOCIQAKTWLVZDV-DENIHFKCSA-N 1 1 489.393 3.316 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298880939 1064686887 /nfs/dbraw/zinc/68/68/87/1064686887.db2.gz YEAFKVDPAMCNBD-YADARESESA-N 1 1 491.036 3.159 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001298881773 1064688593 /nfs/dbraw/zinc/68/85/93/1064688593.db2.gz KHQQFADAKNUJJO-GJZUVCINSA-N 1 1 455.647 3.304 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001298881895 1064688667 /nfs/dbraw/zinc/68/86/67/1064688667.db2.gz MSTDTAYLYNPSHI-GBXCKJPGSA-N 1 1 462.038 3.373 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001298885092 1064691147 /nfs/dbraw/zinc/69/11/47/1064691147.db2.gz GHMOFPDQFLMRNX-SFHVURJKSA-N 1 1 481.066 3.127 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001298886724 1064694870 /nfs/dbraw/zinc/69/48/70/1064694870.db2.gz RQCABTLSAMNVBD-BZLDKRAPSA-N 1 1 459.557 3.042 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001298886725 1064695032 /nfs/dbraw/zinc/69/50/32/1064695032.db2.gz RQCABTLSAMNVBD-LHUKNYEISA-N 1 1 459.557 3.042 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001298886749 1064695070 /nfs/dbraw/zinc/69/50/70/1064695070.db2.gz SFJIBIFMMNMQJN-AVRDEDQJSA-N 1 1 451.974 3.013 20 0 JGADMO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001298886915 1064695899 /nfs/dbraw/zinc/69/58/99/1064695899.db2.gz ISMQRWDWJQZKJB-QZTJIDSGSA-N 1 1 491.624 3.469 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001298886915 1064695904 /nfs/dbraw/zinc/69/59/04/1064695904.db2.gz ISMQRWDWJQZKJB-QZTJIDSGSA-N 1 1 491.624 3.469 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001298886750 1064696001 /nfs/dbraw/zinc/69/60/01/1064696001.db2.gz SFJIBIFMMNMQJN-GCJKJVERSA-N 1 1 451.974 3.013 20 0 JGADMO C[N@H+]1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298895704 1064702760 /nfs/dbraw/zinc/70/27/60/1064702760.db2.gz CRWHQKBCGOVHQH-IBGZPJMESA-N 1 1 476.069 3.271 20 0 JGADMO CN1CC[N@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298895704 1064702770 /nfs/dbraw/zinc/70/27/70/1064702770.db2.gz CRWHQKBCGOVHQH-IBGZPJMESA-N 1 1 476.069 3.271 20 0 JGADMO CN1CC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298895704 1064702780 /nfs/dbraw/zinc/70/27/80/1064702780.db2.gz CRWHQKBCGOVHQH-IBGZPJMESA-N 1 1 476.069 3.271 20 0 JGADMO Cn1nncc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001298912612 1064713531 /nfs/dbraw/zinc/71/35/31/1064713531.db2.gz ZOZMQOJEZCYTFE-UHFFFAOYSA-N 1 1 473.423 3.195 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001298921367 1064722245 /nfs/dbraw/zinc/72/22/45/1064722245.db2.gz KKKOYTVSFANGJB-KRWDZBQOSA-N 1 1 461.010 3.054 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001298965174 1064752973 /nfs/dbraw/zinc/75/29/73/1064752973.db2.gz DMDVKFHIEYHWIE-OAHLLOKOSA-N 1 1 496.978 3.493 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001298967013 1064756846 /nfs/dbraw/zinc/75/68/46/1064756846.db2.gz OYKAFAXNIOUASX-MSOLQXFVSA-N 1 1 462.042 3.180 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298968769 1064759387 /nfs/dbraw/zinc/75/93/87/1064759387.db2.gz CPUYWLGGFZZZOS-LJQANCHMSA-N 1 1 463.630 3.434 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001298972533 1064763088 /nfs/dbraw/zinc/76/30/88/1064763088.db2.gz OYESGGOGBCNECB-NHCUHLMSSA-N 1 1 492.672 3.460 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001298979714 1064766056 /nfs/dbraw/zinc/76/60/56/1064766056.db2.gz XDOZKHGGFBCVFD-MOPGFXCFSA-N 1 1 465.602 3.150 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001298985739 1064770404 /nfs/dbraw/zinc/77/04/04/1064770404.db2.gz OFYMOYFVJFVOQA-QTEQDKRBSA-N 1 1 484.645 3.264 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001298988006 1064771257 /nfs/dbraw/zinc/77/12/57/1064771257.db2.gz CJQVLLHMOWXIAS-UWJYYQICSA-N 1 1 470.021 3.039 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001299002155 1064781164 /nfs/dbraw/zinc/78/11/64/1064781164.db2.gz MUELPLMJOCWCQD-VXKWHMMOSA-N 1 1 470.662 3.413 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+](C)C(C)C)C1 ZINC001299007296 1064789847 /nfs/dbraw/zinc/78/98/47/1064789847.db2.gz RKGPYDAIDPDRFF-OAQYLSRUSA-N 1 1 481.414 3.149 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001299008461 1064793053 /nfs/dbraw/zinc/79/30/53/1064793053.db2.gz ZZPRQSTZHDIMBD-CPJSRVTESA-N 1 1 454.619 3.037 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299028089 1064811522 /nfs/dbraw/zinc/81/15/22/1064811522.db2.gz LGHBBTBXZOJVQA-YZIHRLCOSA-N 1 1 452.647 3.146 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299029844 1064815211 /nfs/dbraw/zinc/81/52/11/1064815211.db2.gz QPKHHXMHLXZXCH-AFMDSPMNSA-N 1 1 488.627 3.478 20 0 JGADMO CNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001299058581 1064849764 /nfs/dbraw/zinc/84/97/64/1064849764.db2.gz VWIMJHBKWTWKJF-UHFFFAOYSA-N 1 1 496.681 3.133 20 0 JGADMO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+](C)C3CCCCC3)C2)n1 ZINC001299060299 1064853451 /nfs/dbraw/zinc/85/34/51/1064853451.db2.gz AVCHYYIKVNOSFO-OAQYLSRUSA-N 1 1 470.666 3.139 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001299068734 1064863409 /nfs/dbraw/zinc/86/34/09/1064863409.db2.gz QTGHZXRHROPXMB-IPMKNSEASA-N 1 1 458.582 3.004 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+](C)CCCOC)C1 ZINC001299071117 1064869777 /nfs/dbraw/zinc/86/97/77/1064869777.db2.gz BSWTZNFPXVVSAE-INIZCTEOSA-N 1 1 483.444 3.183 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001299072768 1064873912 /nfs/dbraw/zinc/87/39/12/1064873912.db2.gz KAFZKOKGLZMIIL-KGLIPLIRSA-N 1 1 481.464 3.214 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299075195 1064879590 /nfs/dbraw/zinc/87/95/90/1064879590.db2.gz SOJOHLUHHQKLNO-RXVVDRJESA-N 1 1 482.032 3.476 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC001299087321 1064893783 /nfs/dbraw/zinc/89/37/83/1064893783.db2.gz RSVHAEKFKMGICP-FHWLQOOXSA-N 1 1 462.639 3.113 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC001299087321 1064893795 /nfs/dbraw/zinc/89/37/95/1064893795.db2.gz RSVHAEKFKMGICP-FHWLQOOXSA-N 1 1 462.639 3.113 20 0 JGADMO CNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001299102448 1064911961 /nfs/dbraw/zinc/91/19/61/1064911961.db2.gz IZQDFWMZEHHFSU-GOSISDBHSA-N 1 1 473.021 3.296 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001299108910 1064916741 /nfs/dbraw/zinc/91/67/41/1064916741.db2.gz ASFAYQOUEBEDRJ-SFHVURJKSA-N 1 1 450.587 3.329 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001299109224 1064916934 /nfs/dbraw/zinc/91/69/34/1064916934.db2.gz IDDLYMZLQTZUDZ-UHFFFAOYSA-N 1 1 475.037 3.444 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001299119108 1064927628 /nfs/dbraw/zinc/92/76/28/1064927628.db2.gz VSXXGZXRCIOOLV-IBGZPJMESA-N 1 1 456.610 3.091 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001299121696 1064930969 /nfs/dbraw/zinc/93/09/69/1064930969.db2.gz FARYHZHWIJDVQD-SZPZYZBQSA-N 1 1 482.673 3.496 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001299123575 1064932187 /nfs/dbraw/zinc/93/21/87/1064932187.db2.gz MGTIARMNOFJJPB-OAQYLSRUSA-N 1 1 468.646 3.392 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001299125041 1064932871 /nfs/dbraw/zinc/93/28/71/1064932871.db2.gz UVPBLSNUGXKQBG-OAQYLSRUSA-N 1 1 498.672 3.196 20 0 JGADMO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC001299130396 1064938665 /nfs/dbraw/zinc/93/86/65/1064938665.db2.gz JCNTWJHVHYOPQC-QZTJIDSGSA-N 1 1 450.421 3.458 20 0 JGADMO CCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)c1 ZINC001299136266 1064944651 /nfs/dbraw/zinc/94/46/51/1064944651.db2.gz SAMMHDRYLLCEFA-ISKFKSNPSA-N 1 1 457.640 3.395 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001299749740 1064949585 /nfs/dbraw/zinc/94/95/85/1064949585.db2.gz ULYNSDPLMNKSPK-JWQCQUIFSA-N 1 1 463.667 3.446 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001299752622 1064952981 /nfs/dbraw/zinc/95/29/81/1064952981.db2.gz WCEGVIFHGLDPFE-AUSIDOKSSA-N 1 1 463.026 3.236 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299765967 1064962394 /nfs/dbraw/zinc/96/23/94/1064962394.db2.gz GOCDXUHOOHIBDQ-IXFSTUDKSA-N 1 1 462.664 3.138 20 0 JGADMO COC1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001299774523 1064975604 /nfs/dbraw/zinc/97/56/04/1064975604.db2.gz FCTYUDRGDXXUEV-FGZHOGPDSA-N 1 1 498.672 3.203 20 0 JGADMO COC1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001299785441 1064983120 /nfs/dbraw/zinc/98/31/20/1064983120.db2.gz IBONWJVVGDZQLU-NRFANRHFSA-N 1 1 457.619 3.200 20 0 JGADMO COc1cc(C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001299833457 1065025016 /nfs/dbraw/zinc/02/50/16/1065025016.db2.gz AQWOPAKYVQYXSM-JOCHJYFZSA-N 1 1 489.686 3.102 20 0 JGADMO COc1cc(C)nc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC001299834023 1065025416 /nfs/dbraw/zinc/02/54/16/1065025416.db2.gz ILJNVEYPFWIXAF-IBGZPJMESA-N 1 1 470.666 3.130 20 0 JGADMO COc1cc(-c2nnc(N(C)[C@H]3CCOC3)n2CC(C)(C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299837873 1065032136 /nfs/dbraw/zinc/03/21/36/1065032136.db2.gz WACCGZZAPCTPEQ-FQEVSTJZSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(-c2nnc(N(C)Cc3cnccn3)n2CC[N@@H+]2CC=CCC2)ccc1OC(C)C ZINC001299840326 1065033869 /nfs/dbraw/zinc/03/38/69/1065033869.db2.gz LBMUFXRFINZLKX-UHFFFAOYSA-N 1 1 463.586 3.429 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CC(F)(F)F)ccc1OC(C)C ZINC001299843583 1065041344 /nfs/dbraw/zinc/04/13/44/1065041344.db2.gz DZTSELBADUJWJC-WMZOPIPTSA-N 1 1 483.535 3.460 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC001299844052 1065042398 /nfs/dbraw/zinc/04/23/98/1065042398.db2.gz ISGJJTBAOHDFCX-KDURUIRLSA-N 1 1 486.661 3.089 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299844052 1065042413 /nfs/dbraw/zinc/04/24/13/1065042413.db2.gz ISGJJTBAOHDFCX-KDURUIRLSA-N 1 1 486.661 3.089 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299844052 1065042424 /nfs/dbraw/zinc/04/24/24/1065042424.db2.gz ISGJJTBAOHDFCX-KDURUIRLSA-N 1 1 486.661 3.089 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCC[NH+]2CCOCC2)ccc1OC(C)C ZINC001299844460 1065042856 /nfs/dbraw/zinc/04/28/56/1065042856.db2.gz SBQCWBZLRIKTMZ-HSZRJFAPSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2nccs2)cc(OC)c1OC ZINC001299854854 1065063031 /nfs/dbraw/zinc/06/30/31/1065063031.db2.gz OHSLDQBKTMHCKV-UHFFFAOYSA-N 1 1 472.615 3.396 20 0 JGADMO COc1cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2cc(C)no2)cc(OC)c1OC ZINC001299855762 1065064417 /nfs/dbraw/zinc/06/44/17/1065064417.db2.gz XKBQVYNXWXYREU-UHFFFAOYSA-N 1 1 470.574 3.236 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299856901 1065065505 /nfs/dbraw/zinc/06/55/05/1065065505.db2.gz HPMOBMRVFUVZMR-SFHVURJKSA-N 1 1 487.523 3.079 20 0 JGADMO COc1cc(-c2nnc(N3CCOC[C@H]3C)n2CCC[N@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC001299859626 1065073135 /nfs/dbraw/zinc/07/31/35/1065073135.db2.gz GTPSHGKZOVOBLU-RBUKOAKNSA-N 1 1 473.618 3.461 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H]4OCO[C@H]4C3)n2CCC[N@@H+](C)C(C)C)ccc1OC(C)C ZINC001299862990 1065080276 /nfs/dbraw/zinc/08/02/76/1065080276.db2.gz GHIANTNNKLDAFE-SZPZYZBQSA-N 1 1 459.591 3.033 20 0 JGADMO COc1cc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)C)CC2)ccc1Cl ZINC001299866097 1065083947 /nfs/dbraw/zinc/08/39/47/1065083947.db2.gz NJZATBKKWIFHRU-LJQANCHMSA-N 1 1 461.010 3.054 20 0 JGADMO COc1cc(CN(C)c2nnc(C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1OC(F)F ZINC001299871483 1065090223 /nfs/dbraw/zinc/09/02/23/1065090223.db2.gz KIGQWCPDZNDVPC-SFHVURJKSA-N 1 1 453.534 3.190 20 0 JGADMO COc1cc(Cn2c(N(C)CC[N@@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)cc(OC)c1OC ZINC001299889971 1065117914 /nfs/dbraw/zinc/11/79/14/1065117914.db2.gz XUDSSABYIXGYHA-UHFFFAOYSA-N 1 1 475.634 3.197 20 0 JGADMO COc1cc(Cn2c(N(C)CC[N@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)cc(OC)c1OC ZINC001299889971 1065117919 /nfs/dbraw/zinc/11/79/19/1065117919.db2.gz XUDSSABYIXGYHA-UHFFFAOYSA-N 1 1 475.634 3.197 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3NC(=O)CC3(C)C)CC2)cc(OC)c1 ZINC001299892986 1065121867 /nfs/dbraw/zinc/12/18/67/1065121867.db2.gz OUJBMMWVBXGRLP-QFIPXVFZSA-N 1 1 498.672 3.121 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)Cc2cnn(C)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001299894615 1065125262 /nfs/dbraw/zinc/12/52/62/1065125262.db2.gz OSQDYAQEIWYCSN-GOSISDBHSA-N 1 1 488.036 3.478 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001299895733 1065128526 /nfs/dbraw/zinc/12/85/26/1065128526.db2.gz LEHIQJBXKVKAHU-ZWKOTPCHSA-N 1 1 464.010 3.191 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCCC(=O)N(C)C ZINC001299898449 1065133202 /nfs/dbraw/zinc/13/32/02/1065133202.db2.gz OHNXKOULQASWKV-UHFFFAOYSA-N 1 1 493.052 3.023 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCCC(=O)N(C)C ZINC001299898449 1065133206 /nfs/dbraw/zinc/13/32/06/1065133206.db2.gz OHNXKOULQASWKV-UHFFFAOYSA-N 1 1 493.052 3.023 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCCNC(=O)C(C)C ZINC001299899509 1065134573 /nfs/dbraw/zinc/13/45/73/1065134573.db2.gz ACUHTZBDXNAMKJ-PKOBYXMFSA-N 1 1 475.037 3.442 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCCNC(=O)C(C)C ZINC001299899506 1065134681 /nfs/dbraw/zinc/13/46/81/1065134681.db2.gz ACUHTZBDXNAMKJ-HKUYNNGSSA-N 1 1 475.037 3.442 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001299907865 1065150575 /nfs/dbraw/zinc/15/05/75/1065150575.db2.gz NBUHMWIWBPRMCH-UHFFFAOYSA-N 1 1 484.004 3.070 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001299908681 1065152695 /nfs/dbraw/zinc/15/26/95/1065152695.db2.gz ZBMPQXZFTPTXCM-IBGZPJMESA-N 1 1 491.080 3.496 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001299909043 1065155029 /nfs/dbraw/zinc/15/50/29/1065155029.db2.gz LRMOYAMXWROVTO-SFHVURJKSA-N 1 1 475.037 3.396 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001299909231 1065156270 /nfs/dbraw/zinc/15/62/70/1065156270.db2.gz REHYSTZFFRGEFD-CVEARBPZSA-N 1 1 461.010 3.147 20 0 JGADMO COc1cc(N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CC=CCC2)cc(OC)c1OC ZINC001299922965 1065177418 /nfs/dbraw/zinc/17/74/18/1065177418.db2.gz SQQMRBOLLLCGJG-UHFFFAOYSA-N 1 1 481.601 3.195 20 0 JGADMO COc1cc(OC)c(CCn2c(CC(C)C)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(OC)c1 ZINC001299925642 1065184692 /nfs/dbraw/zinc/18/46/92/1065184692.db2.gz UGFDECGISJVASU-MOPGFXCFSA-N 1 1 457.619 3.418 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299929583 1065192348 /nfs/dbraw/zinc/19/23/48/1065192348.db2.gz FHNHPZLZVSVNJV-KDURUIRLSA-N 1 1 497.644 3.220 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCn3cccn3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299931856 1065196439 /nfs/dbraw/zinc/19/64/39/1065196439.db2.gz HLYDYSQSVQWGSP-VQTJNVASSA-N 1 1 467.618 3.416 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2OCCC2(C)C)c1 ZINC001299932863 1065198530 /nfs/dbraw/zinc/19/85/30/1065198530.db2.gz YRUBFDUNWCBZBQ-SELNLUPBSA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2OCCC2(C)C)c1 ZINC001299932863 1065198536 /nfs/dbraw/zinc/19/85/36/1065198536.db2.gz YRUBFDUNWCBZBQ-SELNLUPBSA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@]2(C)CCCO2)c1 ZINC001299932889 1065199250 /nfs/dbraw/zinc/19/92/50/1065199250.db2.gz ZNPLVNHENWIIJM-RUZDIDTESA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@]2(C)CCCO2)c1 ZINC001299932889 1065199260 /nfs/dbraw/zinc/19/92/60/1065199260.db2.gz ZNPLVNHENWIIJM-RUZDIDTESA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001299939380 1065209386 /nfs/dbraw/zinc/20/93/86/1065209386.db2.gz ZXIINBNCLLGADX-UXHICEINSA-N 1 1 470.662 3.471 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(N(C)C(C)=O)CC3)n2CCCCn2cc[nH+]c2C)c1 ZINC001299942110 1065211462 /nfs/dbraw/zinc/21/14/62/1065211462.db2.gz NBLTZAVIADBCTR-UHFFFAOYSA-N 1 1 495.628 3.395 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001299942501 1065212500 /nfs/dbraw/zinc/21/25/00/1065212500.db2.gz CVYTYCQLNKGRPL-HXUWFJFHSA-N 1 1 457.619 3.436 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CCC[NH+]2CCOCC2)c1 ZINC001299946189 1065220210 /nfs/dbraw/zinc/22/02/10/1065220210.db2.gz XVBXQDKJGKHILZ-RUZDIDTESA-N 1 1 473.618 3.080 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001299946285 1065220661 /nfs/dbraw/zinc/22/06/61/1065220661.db2.gz ZHACZFACYHFZRX-KBMIEXCESA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001299946285 1065220670 /nfs/dbraw/zinc/22/06/70/1065220670.db2.gz ZHACZFACYHFZRX-KBMIEXCESA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299946956 1065222492 /nfs/dbraw/zinc/22/24/92/1065222492.db2.gz UOBNIUOPDBIXEB-MOPGFXCFSA-N 1 1 484.645 3.175 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCS[C@H](C)C3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001299950146 1065225068 /nfs/dbraw/zinc/22/50/68/1065225068.db2.gz HOVJDNUTJGVCKY-LJQANCHMSA-N 1 1 488.702 3.178 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001299952149 1065231084 /nfs/dbraw/zinc/23/10/84/1065231084.db2.gz MFDDPULSGRBAOY-UXHICEINSA-N 1 1 484.645 3.140 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)c4ccsc4)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299952344 1065231639 /nfs/dbraw/zinc/23/16/39/1065231639.db2.gz ZDCBSCXGMBQXTJ-UHFFFAOYSA-N 1 1 498.653 3.326 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CCc4cccs4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299953194 1065233266 /nfs/dbraw/zinc/23/32/66/1065233266.db2.gz WLQIKUMRCANJJP-LJQANCHMSA-N 1 1 484.670 3.339 20 0 JGADMO COc1cc(OC)cc(N2CCCN(c3nnc(CC4CC4)n3CC[N@@H+](C)C(C)C)CC2)c1 ZINC001299959872 1065241120 /nfs/dbraw/zinc/24/11/20/1065241120.db2.gz FSUHHEMVJJRKSQ-UHFFFAOYSA-N 1 1 456.635 3.305 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)C[C@@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001299968319 1065252094 /nfs/dbraw/zinc/25/20/94/1065252094.db2.gz DWYCRFDQUHLDHP-KRWDZBQOSA-N 1 1 476.419 3.451 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001299968695 1065252997 /nfs/dbraw/zinc/25/29/97/1065252997.db2.gz KCPKZPCTCFKRCX-GOSISDBHSA-N 1 1 492.340 3.171 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC=CCC3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001299969315 1065255729 /nfs/dbraw/zinc/25/57/29/1065255729.db2.gz QGEPSDPRILCDRS-QGZVFWFLSA-N 1 1 476.419 3.329 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCC(CO)CC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001299970843 1065259133 /nfs/dbraw/zinc/25/91/33/1065259133.db2.gz WDECAOXSFLAFHX-UHFFFAOYSA-N 1 1 476.419 3.187 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCOC[C@@H]3C)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299973286 1065261255 /nfs/dbraw/zinc/26/12/55/1065261255.db2.gz IVLAVAMMBPLUCO-INIZCTEOSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCOC[C@@H]3C)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299973286 1065261271 /nfs/dbraw/zinc/26/12/71/1065261271.db2.gz IVLAVAMMBPLUCO-INIZCTEOSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CCS(=O)CC3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001299974655 1065266162 /nfs/dbraw/zinc/26/61/62/1065266162.db2.gz YPUKCMSFHWQDHE-UHFFFAOYSA-N 1 1 496.475 3.159 20 0 JGADMO COc1ccc([C@H](C)N(C)c2nnc(-c3cnccn3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001299984459 1065285525 /nfs/dbraw/zinc/28/55/25/1065285525.db2.gz PIOBSPXRPOLVNB-FQEVSTJZSA-N 1 1 478.645 3.215 20 0 JGADMO COc1ccc([C@H](C)CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001299985296 1065287077 /nfs/dbraw/zinc/28/70/77/1065287077.db2.gz VHXDZHDUPCSAEN-IFMALSPDSA-N 1 1 489.686 3.303 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001299990783 1065294427 /nfs/dbraw/zinc/29/44/27/1065294427.db2.gz ODGKAOCBWXGMLT-UHFFFAOYSA-N 1 1 494.587 3.386 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001299991437 1065296575 /nfs/dbraw/zinc/29/65/75/1065296575.db2.gz VSXVBFOVKANBTR-FPOVZHCZSA-N 1 1 472.609 3.194 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001299991414 1065296599 /nfs/dbraw/zinc/29/65/99/1065296599.db2.gz VSXVBFOVKANBTR-CTNGQTDRSA-N 1 1 472.609 3.194 20 0 JGADMO COc1ccc(C)cc1CN1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299991453 1065296754 /nfs/dbraw/zinc/29/67/54/1065296754.db2.gz VZTUDOQZECVRIF-UHFFFAOYSA-N 1 1 477.657 3.243 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001299996838 1065306150 /nfs/dbraw/zinc/30/61/50/1065306150.db2.gz QGCYUBYEBPYTPU-OAQYLSRUSA-N 1 1 458.676 3.169 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2C[C@H]2C)c(OC)c1 ZINC001299997459 1065308378 /nfs/dbraw/zinc/30/83/78/1065308378.db2.gz JPRCLUYPFLZOPR-MOPGFXCFSA-N 1 1 457.619 3.413 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c(F)c1 ZINC001492199110 1065311858 /nfs/dbraw/zinc/31/18/58/1065311858.db2.gz LFVPQBGTXJIIJN-UHFFFAOYSA-N 1 1 452.578 3.307 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c(F)c1 ZINC001492199110 1065311866 /nfs/dbraw/zinc/31/18/66/1065311866.db2.gz LFVPQBGTXJIIJN-UHFFFAOYSA-N 1 1 452.578 3.307 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001492199337 1065312387 /nfs/dbraw/zinc/31/23/87/1065312387.db2.gz PUAXZSAZSWDCRK-BGYRXZFFSA-N 1 1 452.578 3.305 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001492199337 1065312400 /nfs/dbraw/zinc/31/24/00/1065312400.db2.gz PUAXZSAZSWDCRK-BGYRXZFFSA-N 1 1 452.578 3.305 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001492207932 1065322303 /nfs/dbraw/zinc/32/23/03/1065322303.db2.gz DBMFFZQBDIDIRC-QRVBRYPASA-N 1 1 480.654 3.093 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492211434 1065324460 /nfs/dbraw/zinc/32/44/60/1065324460.db2.gz NQYUDSJYWRCGCV-NZQKXSOJSA-N 1 1 486.636 3.199 20 0 JGADMO Cc1ccc(N(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492217499 1065327856 /nfs/dbraw/zinc/32/78/56/1065327856.db2.gz OVUBLQPPBGNSCV-BGYRXZFFSA-N 1 1 454.619 3.478 20 0 JGADMO Cc1ccc(N(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492217499 1065327866 /nfs/dbraw/zinc/32/78/66/1065327866.db2.gz OVUBLQPPBGNSCV-BGYRXZFFSA-N 1 1 454.619 3.478 20 0 JGADMO Cc1ccc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001492221882 1065328527 /nfs/dbraw/zinc/32/85/27/1065328527.db2.gz WDJKTHJVLDSNPW-RDGATRHJSA-N 1 1 457.619 3.242 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001492241388 1065340739 /nfs/dbraw/zinc/34/07/39/1065340739.db2.gz WMXNZXSZNFKZBX-HSZRJFAPSA-N 1 1 497.688 3.180 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2C[C@H]2C)cc1C ZINC001492241537 1065340989 /nfs/dbraw/zinc/34/09/89/1065340989.db2.gz YBFIFMDJUZTKTQ-UXHICEINSA-N 1 1 454.619 3.350 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2C[C@H]2C)cc1C ZINC001492241537 1065341007 /nfs/dbraw/zinc/34/10/07/1065341007.db2.gz YBFIFMDJUZTKTQ-UXHICEINSA-N 1 1 454.619 3.350 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCCOCC(F)F)cc1C ZINC001492246197 1065345387 /nfs/dbraw/zinc/34/53/87/1065345387.db2.gz CKSLVGRKHGWVFB-UYAOXDASSA-N 1 1 476.572 3.492 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001492250716 1065350472 /nfs/dbraw/zinc/35/04/72/1065350472.db2.gz QAFPJQKRZMSDAS-RCZSKKKRSA-N 1 1 454.619 3.229 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)CC3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001492251316 1065352431 /nfs/dbraw/zinc/35/24/31/1065352431.db2.gz ZKBYGFJWYTWYDG-UHFFFAOYSA-N 1 1 476.572 3.495 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC(F)(F)F)cc1C ZINC001492268825 1065364243 /nfs/dbraw/zinc/36/42/43/1065364243.db2.gz YRCBTBTVIGYXJH-SFHVURJKSA-N 1 1 480.535 3.258 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492273900 1065367235 /nfs/dbraw/zinc/36/72/35/1065367235.db2.gz OYNTZVXVYJNULT-QFIPXVFZSA-N 1 1 484.645 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001492276439 1065371386 /nfs/dbraw/zinc/37/13/86/1065371386.db2.gz PLRJECOAKYKYIA-SJBKTWHCSA-N 1 1 472.609 3.442 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001492280552 1065373250 /nfs/dbraw/zinc/37/32/50/1065373250.db2.gz HPXYVVBEEVLXBX-HXUWFJFHSA-N 1 1 450.591 3.240 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492238530 1065383980 /nfs/dbraw/zinc/38/39/80/1065383980.db2.gz SFGFMZHQFWWZPD-NRFANRHFSA-N 1 1 492.628 3.075 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001492310041 1065389479 /nfs/dbraw/zinc/38/94/79/1065389479.db2.gz BYOPMTPJHAWLHY-RTWAWAEBSA-N 1 1 477.675 3.155 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001492319539 1065394681 /nfs/dbraw/zinc/39/46/81/1065394681.db2.gz COUXJLGBJHASFO-FYYLOGMGSA-N 1 1 471.646 3.385 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492331684 1065402698 /nfs/dbraw/zinc/40/26/98/1065402698.db2.gz UFDFAHDQKWUCFV-OAQYLSRUSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492331684 1065402702 /nfs/dbraw/zinc/40/27/02/1065402702.db2.gz UFDFAHDQKWUCFV-OAQYLSRUSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC001492297721 1065412226 /nfs/dbraw/zinc/41/22/26/1065412226.db2.gz YAXLNUQSCHZARI-UKILVPOCSA-N 1 1 484.689 3.409 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCOC(C)(C)C)cc1C ZINC001492353859 1065417261 /nfs/dbraw/zinc/41/72/61/1065417261.db2.gz NXALFYNAMHPSAB-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001492354147 1065418908 /nfs/dbraw/zinc/41/89/08/1065418908.db2.gz YPTXWMGYCQGKNZ-JOCHJYFZSA-N 1 1 498.672 3.067 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC(=O)NC(C)C)cc1 ZINC001492385656 1065453735 /nfs/dbraw/zinc/45/37/35/1065453735.db2.gz UCQWJQYUKMLSJE-FQEVSTJZSA-N 1 1 454.619 3.001 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001492390976 1065458949 /nfs/dbraw/zinc/45/89/49/1065458949.db2.gz IOCOJZQDTLPBLP-KRWDZBQOSA-N 1 1 471.549 3.248 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001492390976 1065458956 /nfs/dbraw/zinc/45/89/56/1065458956.db2.gz IOCOJZQDTLPBLP-KRWDZBQOSA-N 1 1 471.549 3.248 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001492344991 1065459567 /nfs/dbraw/zinc/45/95/67/1065459567.db2.gz SVEMAAAYIGXCPA-SFTDATJTSA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492399800 1065468398 /nfs/dbraw/zinc/46/83/98/1065468398.db2.gz CUEIXPRRYRLMPQ-FYYLOGMGSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)C)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001492431944 1065489009 /nfs/dbraw/zinc/48/90/09/1065489009.db2.gz UKOZGYBRLUASGS-UHFFFAOYSA-N 1 1 476.691 3.247 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492460057 1065507980 /nfs/dbraw/zinc/50/79/80/1065507980.db2.gz NQJSEKQQJCXYOU-PXDATVDWSA-N 1 1 473.687 3.444 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001492462236 1065510620 /nfs/dbraw/zinc/51/06/20/1065510620.db2.gz NHYPGLDPJRAZHG-AVRDEDQJSA-N 1 1 499.603 3.493 20 0 JGADMO Cc1ccc2c(CCn3c(C(=O)NC(C)C)nnc3N(C)CC(C)(C)C[NH+]3CCOCC3)c[nH]c2c1 ZINC001492471651 1065522678 /nfs/dbraw/zinc/52/26/78/1065522678.db2.gz QWQJRBRJGYRBRQ-UHFFFAOYSA-N 1 1 495.672 3.243 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC001300795352 1065525288 /nfs/dbraw/zinc/52/52/88/1065525288.db2.gz NWUSBZCPYISJQM-MIALQEHNSA-N 1 1 495.466 3.396 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC[C@@H]1C ZINC001300800648 1065532684 /nfs/dbraw/zinc/53/26/84/1065532684.db2.gz UHJGZJBILJSKJS-CNNODRBYSA-N 1 1 489.064 3.455 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC001300809606 1065540607 /nfs/dbraw/zinc/54/06/07/1065540607.db2.gz KKMVHTBYHWBUIZ-PNYFIKQUSA-N 1 1 463.026 3.354 20 0 JGADMO CO[C@H]1CN(c2nnc(-c3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)CC1(C)C ZINC001300813204 1065543647 /nfs/dbraw/zinc/54/36/47/1065543647.db2.gz NHGFUBYBJIWJNZ-QFIPXVFZSA-N 1 1 458.626 3.219 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1(C)C ZINC001300818046 1065546391 /nfs/dbraw/zinc/54/63/91/1065546391.db2.gz DCPWCVOXHYWNCO-GBESFXJTSA-N 1 1 461.010 3.047 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCOCC2)CC1(C)C ZINC001300844146 1065584195 /nfs/dbraw/zinc/58/41/95/1065584195.db2.gz RGUNUTXBLCCDDU-JOCHJYFZSA-N 1 1 457.619 3.057 20 0 JGADMO CO[C@H]1COCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300871417 1065643831 /nfs/dbraw/zinc/64/38/31/1065643831.db2.gz LSDXEZOZSLUVNL-UPVQGACJSA-N 1 1 471.646 3.446 20 0 JGADMO COCC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001300881761 1065667684 /nfs/dbraw/zinc/66/76/84/1065667684.db2.gz ZNAVUBHZVGAUPV-UHFFFAOYSA-N 1 1 480.613 3.030 20 0 JGADMO COCC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001300883236 1065670556 /nfs/dbraw/zinc/67/05/56/1065670556.db2.gz VWEBRWBHBHLQTK-HXUWFJFHSA-N 1 1 489.064 3.406 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001300903735 1065701718 /nfs/dbraw/zinc/70/17/18/1065701718.db2.gz RHYXZHIHRAQDPJ-QFIPXVFZSA-N 1 1 468.646 3.105 20 0 JGADMO COCC(C)(C)CCCn1c(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001300926384 1065724390 /nfs/dbraw/zinc/72/43/90/1065724390.db2.gz CJFMRCYNUMKADW-RBBKRZOGSA-N 1 1 476.710 3.407 20 0 JGADMO COCC(C)(C)CCCn1c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001300927026 1065725601 /nfs/dbraw/zinc/72/56/01/1065725601.db2.gz NGYSGEMQLLIXFM-UHFFFAOYSA-N 1 1 462.683 3.163 20 0 JGADMO COCC(C)(C)CCCn1c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001300927026 1065725607 /nfs/dbraw/zinc/72/56/07/1065725607.db2.gz NGYSGEMQLLIXFM-UHFFFAOYSA-N 1 1 462.683 3.163 20 0 JGADMO COCC(C)(C)CCCn1c(Cc2csc(C)n2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001300927282 1065726317 /nfs/dbraw/zinc/72/63/17/1065726317.db2.gz VEKAEPCJNWKKHE-RXVVDRJESA-N 1 1 476.691 3.244 20 0 JGADMO COCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001300928458 1065727348 /nfs/dbraw/zinc/72/73/48/1065727348.db2.gz DCLXBFGQLJHDBB-GCJKJVERSA-N 1 1 489.064 3.260 20 0 JGADMO COCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300933397 1065733771 /nfs/dbraw/zinc/73/37/71/1065733771.db2.gz ZSZFHILHRLTVKK-OYRHEFFESA-N 1 1 486.661 3.365 20 0 JGADMO COCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300933397 1065733782 /nfs/dbraw/zinc/73/37/82/1065733782.db2.gz ZSZFHILHRLTVKK-OYRHEFFESA-N 1 1 486.661 3.365 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001300934153 1065734661 /nfs/dbraw/zinc/73/46/61/1065734661.db2.gz JHKSLZLRVJCLJW-UHFFFAOYSA-N 1 1 487.052 3.339 20 0 JGADMO COCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001300941571 1065743670 /nfs/dbraw/zinc/74/36/70/1065743670.db2.gz CUZPOTXOOOMMFI-JOCHJYFZSA-N 1 1 457.619 3.393 20 0 JGADMO COCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001300943154 1065745598 /nfs/dbraw/zinc/74/55/98/1065745598.db2.gz SLTUFKFAYQAPBO-UNMCSNQZSA-N 1 1 495.734 3.334 20 0 JGADMO COC[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300957291 1065762607 /nfs/dbraw/zinc/76/26/07/1065762607.db2.gz DYLARUDZSMJCNH-IBGZPJMESA-N 1 1 477.675 3.188 20 0 JGADMO COC[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001300958467 1065765720 /nfs/dbraw/zinc/76/57/20/1065765720.db2.gz WHLZXOYTPXLCTF-UWVAXJGDSA-N 1 1 478.435 3.147 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300963865 1065772588 /nfs/dbraw/zinc/77/25/88/1065772588.db2.gz CCOPLHKSSMJQRJ-JXXFODFXSA-N 1 1 451.974 3.177 20 0 JGADMO COC[C@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001300988076 1065801614 /nfs/dbraw/zinc/80/16/14/1065801614.db2.gz RMWXVHZYUJUEMC-NTKDMRAZSA-N 1 1 475.659 3.163 20 0 JGADMO COC[C@@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001300988077 1065801679 /nfs/dbraw/zinc/80/16/79/1065801679.db2.gz RMWXVHZYUJUEMC-YADARESESA-N 1 1 475.659 3.163 20 0 JGADMO COC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cccs2)CC1)OC ZINC001301001405 1065826208 /nfs/dbraw/zinc/82/62/08/1065826208.db2.gz ZQVGULZSSMMEHB-MRXNPFEDSA-N 1 1 495.447 3.081 20 0 JGADMO COC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)OC ZINC001301022320 1065857627 /nfs/dbraw/zinc/85/76/27/1065857627.db2.gz OHDZLVDHCYUAGI-VJBMBRPKSA-N 1 1 473.618 3.073 20 0 JGADMO COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC001301022700 1065857727 /nfs/dbraw/zinc/85/77/27/1065857727.db2.gz FIXACNPTXUAMNX-PUHATCMVSA-N 1 1 456.635 3.016 20 0 JGADMO COC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)OC ZINC001301023390 1065859711 /nfs/dbraw/zinc/85/97/11/1065859711.db2.gz JTBUGRKVMQNXFO-JOCHJYFZSA-N 1 1 488.633 3.147 20 0 JGADMO COC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)OC ZINC001301023393 1065859747 /nfs/dbraw/zinc/85/97/47/1065859747.db2.gz JTBUGRKVMQNXFO-QFIPXVFZSA-N 1 1 488.633 3.147 20 0 JGADMO COC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001301028007 1065866148 /nfs/dbraw/zinc/86/61/48/1065866148.db2.gz WRAHOJHXSLMOBW-LJQANCHMSA-N 1 1 463.573 3.263 20 0 JGADMO COC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001301028006 1065866258 /nfs/dbraw/zinc/86/62/58/1065866258.db2.gz WRAHOJHXSLMOBW-IBGZPJMESA-N 1 1 463.573 3.263 20 0 JGADMO COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001301028317 1065866745 /nfs/dbraw/zinc/86/67/45/1065866745.db2.gz YJEZHVNVGGPRHN-URXFXBBRSA-N 1 1 464.614 3.026 20 0 JGADMO O=C(CCN1C(=O)COc2cc(Br)ccc21)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001301036033 1065878192 /nfs/dbraw/zinc/87/81/92/1065878192.db2.gz VYYJJCNLGKQOKN-MRXNPFEDSA-N 1 1 450.377 3.088 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301043794 1065888642 /nfs/dbraw/zinc/88/86/42/1065888642.db2.gz YVOAEVONOLSHDL-INIZCTEOSA-N 1 1 483.411 3.404 20 0 JGADMO COCC1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301078770 1065929280 /nfs/dbraw/zinc/92/92/80/1065929280.db2.gz YIMMVGWGLFSGSM-UXHICEINSA-N 1 1 469.634 3.299 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301088111 1065937851 /nfs/dbraw/zinc/93/78/51/1065937851.db2.gz DVKPXBQOYNDYJO-UHFFFAOYSA-N 1 1 495.466 3.399 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301088111 1065937862 /nfs/dbraw/zinc/93/78/62/1065937862.db2.gz DVKPXBQOYNDYJO-UHFFFAOYSA-N 1 1 495.466 3.399 20 0 JGADMO COCC1=CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301188554 1066017943 /nfs/dbraw/zinc/01/79/43/1066017943.db2.gz QPKXLSGZRNNIIH-LJQANCHMSA-N 1 1 455.603 3.477 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001301227228 1066046428 /nfs/dbraw/zinc/04/64/28/1066046428.db2.gz GMPHOERWQKCCHB-VXKWHMMOSA-N 1 1 460.667 3.422 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301237921 1066055547 /nfs/dbraw/zinc/05/55/47/1066055547.db2.gz DPZOUAWQSOLQSO-FQEVSTJZSA-N 1 1 457.619 3.317 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301237921 1066055550 /nfs/dbraw/zinc/05/55/50/1066055550.db2.gz DPZOUAWQSOLQSO-FQEVSTJZSA-N 1 1 457.619 3.317 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301239270 1066057146 /nfs/dbraw/zinc/05/71/46/1066057146.db2.gz UMDPGEFRYFTOMD-SJORKVTESA-N 1 1 481.439 3.009 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001301240060 1066057840 /nfs/dbraw/zinc/05/78/40/1066057840.db2.gz ORWWYQORKDXWPY-RBBKRZOGSA-N 1 1 457.619 3.053 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301249170 1066066366 /nfs/dbraw/zinc/06/63/66/1066066366.db2.gz UGYOTVICMNGFKK-XJUOHMSHSA-N 1 1 470.662 3.405 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001301265051 1066080637 /nfs/dbraw/zinc/08/06/37/1066080637.db2.gz VEDWUXREWVDUEF-MOPGFXCFSA-N 1 1 492.462 3.417 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001301278338 1066088441 /nfs/dbraw/zinc/08/84/41/1066088441.db2.gz PVYDBCBCTOLAJA-JOCHJYFZSA-N 1 1 460.692 3.067 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001301297818 1066103951 /nfs/dbraw/zinc/10/39/51/1066103951.db2.gz GCNWVDNPGIUMEE-NHCUHLMSSA-N 1 1 489.686 3.476 20 0 JGADMO COC[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001301318415 1066116601 /nfs/dbraw/zinc/11/66/01/1066116601.db2.gz DJZXQXCDBUTBJA-VQTJNVASSA-N 1 1 464.655 3.206 20 0 JGADMO COCC1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001301328366 1066121557 /nfs/dbraw/zinc/12/15/57/1066121557.db2.gz FMFMMDSQJFATJI-UHFFFAOYSA-N 1 1 452.578 3.398 20 0 JGADMO COCC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001301336136 1066126437 /nfs/dbraw/zinc/12/64/37/1066126437.db2.gz USDLUCLZOMLYHL-DEOSSOPVSA-N 1 1 455.647 3.283 20 0 JGADMO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301345098 1066135974 /nfs/dbraw/zinc/13/59/74/1066135974.db2.gz FIUDSTJJSOCYJK-FCHUYYIVSA-N 1 1 484.645 3.119 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301356766 1066146215 /nfs/dbraw/zinc/14/62/15/1066146215.db2.gz HNOQCATXEKIYNO-MJGOQNOKSA-N 1 1 495.466 3.399 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001301359753 1066151095 /nfs/dbraw/zinc/15/10/95/1066151095.db2.gz QGIUZSWYVDPFAH-WMZOPIPTSA-N 1 1 481.439 3.008 20 0 JGADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C3=CCCN(C(=O)OC(C)(C)C)CC3)C2)ccn1 ZINC001301364532 1066159870 /nfs/dbraw/zinc/15/98/70/1066159870.db2.gz PHAXKEWMHBGDRV-QFIPXVFZSA-N 1 1 458.603 3.470 20 0 JGADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cccn4ncc(Br)c34)C2)ccn1 ZINC001301364845 1066159959 /nfs/dbraw/zinc/15/99/59/1066159959.db2.gz ZBMXFLIAJKWDOS-QGZVFWFLSA-N 1 1 458.360 3.237 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC001301368949 1066163517 /nfs/dbraw/zinc/16/35/17/1066163517.db2.gz MYRBSIBYNOBKTR-HOJAQTOUSA-N 1 1 496.027 3.335 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2cc[nH+]c2C)CCO1 ZINC001301373116 1066167228 /nfs/dbraw/zinc/16/72/28/1066167228.db2.gz HPRQISTYBSHTCR-QGZVFWFLSA-N 1 1 493.381 3.294 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H](C)O1 ZINC001301377293 1066170905 /nfs/dbraw/zinc/17/09/05/1066170905.db2.gz XMILQRGERUGWGF-JTAQYXEDSA-N 1 1 457.619 3.314 20 0 JGADMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(OCC)cc3)ccc2C)C1 ZINC001301380005 1066172118 /nfs/dbraw/zinc/17/21/18/1066172118.db2.gz VITIDBSNQNMGSW-IBGZPJMESA-N 1 1 459.612 3.433 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001301398496 1066179616 /nfs/dbraw/zinc/17/96/16/1066179616.db2.gz FUDLUBBVIDXUJR-SIKLNZKXSA-N 1 1 455.628 3.303 20 0 JGADMO COC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H](C)O1 ZINC001301400691 1066181242 /nfs/dbraw/zinc/18/12/42/1066181242.db2.gz CKQVSWCHPWFAIJ-YCSHWKNNSA-N 1 1 471.646 3.260 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC001301406772 1066189185 /nfs/dbraw/zinc/18/91/85/1066189185.db2.gz MTGCUTSKAJMMAH-GGAORHGYSA-N 1 1 473.666 3.034 20 0 JGADMO COCCC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301430226 1066228454 /nfs/dbraw/zinc/22/84/54/1066228454.db2.gz MMYZLSIUOJFJIM-REWPJTCUSA-N 1 1 474.694 3.062 20 0 JGADMO COCCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001301431548 1066229832 /nfs/dbraw/zinc/22/98/32/1066229832.db2.gz IHMRPZGIQAHMLO-KNQAVFIVSA-N 1 1 475.609 3.216 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301945049 1066230296 /nfs/dbraw/zinc/23/02/96/1066230296.db2.gz VKIOAXOCSLAEPL-GZGNHOFSSA-N 1 1 496.700 3.277 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301437242 1066238832 /nfs/dbraw/zinc/23/88/32/1066238832.db2.gz FZPWBWMMULMWMZ-YHEJKZAPSA-N 1 1 496.425 3.307 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001301948363 1066241748 /nfs/dbraw/zinc/24/17/48/1066241748.db2.gz QKAAOIIGMAIMSW-IFMALSPDSA-N 1 1 474.675 3.454 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301951219 1066250582 /nfs/dbraw/zinc/25/05/82/1066250582.db2.gz YCHCIWLJSKPBEW-FQEVSTJZSA-N 1 1 460.667 3.179 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001301954787 1066258461 /nfs/dbraw/zinc/25/84/61/1066258461.db2.gz RCLKKGSFLLLTNP-HSZRJFAPSA-N 1 1 474.694 3.253 20 0 JGADMO COCC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301450019 1066264084 /nfs/dbraw/zinc/26/40/84/1066264084.db2.gz KUTDNNDBIAWRCZ-XMMPIXPASA-N 1 1 491.608 3.318 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001301450886 1066265299 /nfs/dbraw/zinc/26/52/99/1066265299.db2.gz NWXYDQGBPSEBFN-OZXSUGGESA-N 1 1 487.645 3.135 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001301450884 1066265362 /nfs/dbraw/zinc/26/53/62/1066265362.db2.gz NWXYDQGBPSEBFN-BVAGGSTKSA-N 1 1 487.645 3.135 20 0 JGADMO COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001301460547 1066281352 /nfs/dbraw/zinc/28/13/52/1066281352.db2.gz VKQNISNIJHNEQJ-JJTGBXKASA-N 1 1 487.693 3.018 20 0 JGADMO COCC[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301460773 1066282101 /nfs/dbraw/zinc/28/21/01/1066282101.db2.gz XSUPZEOUTLBRLX-SANMLTNESA-N 1 1 471.646 3.408 20 0 JGADMO COCCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301468793 1066291979 /nfs/dbraw/zinc/29/19/79/1066291979.db2.gz SAPCZPMQJGHPMC-UHFFFAOYSA-N 1 1 495.466 3.399 20 0 JGADMO COCCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301468793 1066291990 /nfs/dbraw/zinc/29/19/90/1066291990.db2.gz SAPCZPMQJGHPMC-UHFFFAOYSA-N 1 1 495.466 3.399 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001301985558 1066296423 /nfs/dbraw/zinc/29/64/23/1066296423.db2.gz YKFJYAGEMOXZOQ-XHSDSOJGSA-N 1 1 454.040 3.339 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001301985188 1066296619 /nfs/dbraw/zinc/29/66/19/1066296619.db2.gz YKFJYAGEMOXZOQ-BZUAXINKSA-N 1 1 454.040 3.339 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CC=CCC1 ZINC001301985786 1066297653 /nfs/dbraw/zinc/29/76/53/1066297653.db2.gz BYNFAOIPCZVMEH-MOPGFXCFSA-N 1 1 468.627 3.013 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+]1CC=CCC1 ZINC001301985786 1066297665 /nfs/dbraw/zinc/29/76/65/1066297665.db2.gz BYNFAOIPCZVMEH-MOPGFXCFSA-N 1 1 468.627 3.013 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001301986242 1066298947 /nfs/dbraw/zinc/29/89/47/1066298947.db2.gz DCSPBOQDNDUDPZ-MBOZVWFJSA-N 1 1 465.639 3.462 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCc1ccc(Cl)cc1 ZINC001301986430 1066299721 /nfs/dbraw/zinc/29/97/21/1066299721.db2.gz XBWDFXDBSNYHDY-JQVVWYNYSA-N 1 1 478.037 3.055 20 0 JGADMO COCCC1(Cn2c(CC(C)C)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CCCC1 ZINC001301480140 1066301092 /nfs/dbraw/zinc/30/10/92/1066301092.db2.gz KMMKBRJCBIWHEV-LADGPHEKSA-N 1 1 488.721 3.452 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001301988498 1066304486 /nfs/dbraw/zinc/30/44/86/1066304486.db2.gz LZFTUNXHYKSNEX-OAGGEKHMSA-N 1 1 454.040 3.339 20 0 JGADMO COCCc1noc(CN(C)c2nnc(-c3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001301496795 1066323118 /nfs/dbraw/zinc/32/31/18/1066323118.db2.gz WOKPOEUUOWAUSH-OALUTQOASA-N 1 1 453.591 3.274 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001301999351 1066330777 /nfs/dbraw/zinc/33/07/77/1066330777.db2.gz BRUAKBTXRXFZRV-GGPKGHCWSA-N 1 1 493.649 3.271 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001301999351 1066330787 /nfs/dbraw/zinc/33/07/87/1066330787.db2.gz BRUAKBTXRXFZRV-GGPKGHCWSA-N 1 1 493.649 3.271 20 0 JGADMO COCC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301506800 1066335135 /nfs/dbraw/zinc/33/51/35/1066335135.db2.gz WLVAXARZUOIVHR-KXEAFHOWSA-N 1 1 463.667 3.302 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301512806 1066340545 /nfs/dbraw/zinc/34/05/45/1066340545.db2.gz VRQJOQPGKDRHKJ-LJQANCHMSA-N 1 1 461.054 3.487 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301512806 1066340562 /nfs/dbraw/zinc/34/05/62/1066340562.db2.gz VRQJOQPGKDRHKJ-LJQANCHMSA-N 1 1 461.054 3.487 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301512806 1066340578 /nfs/dbraw/zinc/34/05/78/1066340578.db2.gz VRQJOQPGKDRHKJ-LJQANCHMSA-N 1 1 461.054 3.487 20 0 JGADMO CC(C)(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302005475 1066344232 /nfs/dbraw/zinc/34/42/32/1066344232.db2.gz IQHWVEVEPUDOLE-UHFFFAOYSA-N 1 1 464.658 3.410 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302011108 1066354722 /nfs/dbraw/zinc/35/47/22/1066354722.db2.gz IIADPSJKUFZHPD-VAMGGRTRSA-N 1 1 489.665 3.372 20 0 JGADMO COCC[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301528121 1066355722 /nfs/dbraw/zinc/35/57/22/1066355722.db2.gz CYZZFZFQXWTNHC-SFTDATJTSA-N 1 1 474.650 3.475 20 0 JGADMO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001302013965 1066359803 /nfs/dbraw/zinc/35/98/03/1066359803.db2.gz GLULEZNLPLEKOT-XZOQPEGZSA-N 1 1 488.721 3.236 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302016407 1066364222 /nfs/dbraw/zinc/36/42/22/1066364222.db2.gz WHGNUJPJONKAEQ-DLBZAZTESA-N 1 1 479.423 3.340 20 0 JGADMO COCCCCCn1c(C2CCCC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301539161 1066366904 /nfs/dbraw/zinc/36/69/04/1066366904.db2.gz GAUFNWIOHZHDJD-REWPJTCUSA-N 1 1 460.667 3.131 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302017238 1066366957 /nfs/dbraw/zinc/36/69/57/1066366957.db2.gz SCNYDQJNRWBCKQ-GOTSBHOMSA-N 1 1 484.689 3.330 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302017242 1066367179 /nfs/dbraw/zinc/36/71/79/1066367179.db2.gz SCNYDQJNRWBCKQ-PKTZIBPZSA-N 1 1 484.689 3.330 20 0 JGADMO CN(CC[N@@H+](C)CCO)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001301547712 1066377033 /nfs/dbraw/zinc/37/70/33/1066377033.db2.gz PEKCKWADJAMBJI-UHFFFAOYSA-N 1 1 454.827 3.175 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001302022881 1066377371 /nfs/dbraw/zinc/37/73/71/1066377371.db2.gz GJXCYIMHSGIUCR-QGAVKGNSSA-N 1 1 481.657 3.466 20 0 JGADMO CC(C)c1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c(O)c1 ZINC001301552277 1066380251 /nfs/dbraw/zinc/38/02/51/1066380251.db2.gz XTLAFXZDOKLJHI-UHFFFAOYSA-N 1 1 450.583 3.211 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302025689 1066384617 /nfs/dbraw/zinc/38/46/17/1066384617.db2.gz FDUDMVUPQOQCHB-KCVHQNEMSA-N 1 1 489.636 3.360 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302027146 1066387240 /nfs/dbraw/zinc/38/72/40/1066387240.db2.gz HXUXZDXLWCBYQW-HUUCEWRRSA-N 1 1 455.390 3.361 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001302027343 1066389113 /nfs/dbraw/zinc/38/91/13/1066389113.db2.gz IVYNJCLEZWCQPB-GBXCKJPGSA-N 1 1 490.693 3.246 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302042885 1066420688 /nfs/dbraw/zinc/42/06/88/1066420688.db2.gz RQGSWRXDLYOXHN-VAMGGRTRSA-N 1 1 475.609 3.233 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302042884 1066420729 /nfs/dbraw/zinc/42/07/29/1066420729.db2.gz RQGSWRXDLYOXHN-SLFFLAALSA-N 1 1 475.609 3.233 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cc(C)ccc32)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302043034 1066421488 /nfs/dbraw/zinc/42/14/88/1066421488.db2.gz LYMZWBUSHMZNLP-HXUWFJFHSA-N 1 1 456.635 3.031 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302043530 1066422433 /nfs/dbraw/zinc/42/24/33/1066422433.db2.gz PMHLSPUIZKBIIE-MOPGFXCFSA-N 1 1 478.037 3.187 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3ccccc3[C@H]2C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302043641 1066423446 /nfs/dbraw/zinc/42/34/46/1066423446.db2.gz WTASTPRKWRUUDZ-MQSCRBSSSA-N 1 1 471.646 3.483 20 0 JGADMO COCCCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301590647 1066428830 /nfs/dbraw/zinc/42/88/30/1066428830.db2.gz HSDZZXQDDLGKOP-UHFFFAOYSA-N 1 1 496.450 3.300 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001302051247 1066437308 /nfs/dbraw/zinc/43/73/08/1066437308.db2.gz XNIVFXPMJDQBTR-WBVHZDCISA-N 1 1 456.557 3.097 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302055576 1066449917 /nfs/dbraw/zinc/44/99/17/1066449917.db2.gz QIWIUHGXDNAFDX-RTWAWAEBSA-N 1 1 492.665 3.100 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302055645 1066450412 /nfs/dbraw/zinc/45/04/12/1066450412.db2.gz QWVDCTLIXZBLAY-UEVCKROQSA-N 1 1 488.681 3.172 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001301607234 1066453709 /nfs/dbraw/zinc/45/37/09/1066453709.db2.gz KEXQNMAQAUFGEN-HXUWFJFHSA-N 1 1 478.519 3.229 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302056829 1066453731 /nfs/dbraw/zinc/45/37/31/1066453731.db2.gz VUNRAABQUPADKZ-KHCICDEESA-N 1 1 492.690 3.033 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCOCC2(CC2)C1 ZINC001301607290 1066453776 /nfs/dbraw/zinc/45/37/76/1066453776.db2.gz JURUFNBYAMEUTM-UHFFFAOYSA-N 1 1 478.435 3.293 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 ZINC001301610778 1066458150 /nfs/dbraw/zinc/45/81/50/1066458150.db2.gz VYMHTBHWLNQHNW-HXUWFJFHSA-N 1 1 455.632 3.457 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001301610503 1066458205 /nfs/dbraw/zinc/45/82/05/1066458205.db2.gz QCNRCRXRMSSBMN-KRWDZBQOSA-N 1 1 494.434 3.065 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001301610937 1066458901 /nfs/dbraw/zinc/45/89/01/1066458901.db2.gz ZLRYJTGYPCJFPM-UHFFFAOYSA-N 1 1 451.619 3.339 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001301612409 1066459823 /nfs/dbraw/zinc/45/98/23/1066459823.db2.gz CEMCVNFDRBWUIR-XMSQKQJNSA-N 1 1 463.573 3.121 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001301612558 1066460577 /nfs/dbraw/zinc/46/05/77/1066460577.db2.gz DSGIFZGTZAQLNQ-WIOPSUGQSA-N 1 1 473.618 3.154 20 0 JGADMO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](O)C1 ZINC001301613930 1066463864 /nfs/dbraw/zinc/46/38/64/1066463864.db2.gz DSIGPJKKGHLYAW-ZLNRFVROSA-N 1 1 471.573 3.123 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001301614341 1066464351 /nfs/dbraw/zinc/46/43/51/1066464351.db2.gz YJENKMXEMZKYFP-UHFFFAOYSA-N 1 1 489.970 3.384 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(O)CCCCCC1 ZINC001302066545 1066467477 /nfs/dbraw/zinc/46/74/77/1066467477.db2.gz DQEWKKWAEUVABH-FQEVSTJZSA-N 1 1 451.656 3.398 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001302066542 1066467551 /nfs/dbraw/zinc/46/75/51/1066467551.db2.gz DOHVYQAORXYPLH-QHAWAJNXSA-N 1 1 451.656 3.374 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)c1ncc(C)s1 ZINC001302067389 1066470198 /nfs/dbraw/zinc/47/01/98/1066470198.db2.gz IIXPPYQBSCNNSP-PKOBYXMFSA-N 1 1 450.653 3.491 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCN(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001302068298 1066471350 /nfs/dbraw/zinc/47/13/50/1066471350.db2.gz OFLRYQAVDBTTCJ-XZOQPEGZSA-N 1 1 470.662 3.451 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CC=CCO1 ZINC001302071389 1066479194 /nfs/dbraw/zinc/47/91/94/1066479194.db2.gz IOFZBIPWUDXEJY-NFBKMPQASA-N 1 1 473.593 3.199 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302075154 1066487068 /nfs/dbraw/zinc/48/70/68/1066487068.db2.gz ILAUOIZVVKPQRI-WOJBJXKFSA-N 1 1 474.625 3.394 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001302078697 1066492766 /nfs/dbraw/zinc/49/27/66/1066492766.db2.gz AWKYRTWRVDYWDZ-UHFFFAOYSA-N 1 1 474.600 3.231 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001302078697 1066492771 /nfs/dbraw/zinc/49/27/71/1066492771.db2.gz AWKYRTWRVDYWDZ-UHFFFAOYSA-N 1 1 474.600 3.231 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302079063 1066493292 /nfs/dbraw/zinc/49/32/92/1066493292.db2.gz WGYSLEFLNNXUMZ-ROUUACIJSA-N 1 1 483.583 3.479 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001301634176 1066496056 /nfs/dbraw/zinc/49/60/56/1066496056.db2.gz DZAHFSQMZCBARI-UHFFFAOYSA-N 1 1 488.080 3.072 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301634176 1066496061 /nfs/dbraw/zinc/49/60/61/1066496061.db2.gz DZAHFSQMZCBARI-UHFFFAOYSA-N 1 1 488.080 3.072 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301634176 1066496067 /nfs/dbraw/zinc/49/60/67/1066496067.db2.gz DZAHFSQMZCBARI-UHFFFAOYSA-N 1 1 488.080 3.072 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001301635145 1066497715 /nfs/dbraw/zinc/49/77/15/1066497715.db2.gz OZRUCECRBKLOCJ-UHFFFAOYSA-N 1 1 494.482 3.224 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001302080777 1066498361 /nfs/dbraw/zinc/49/83/61/1066498361.db2.gz YLZRSFFWLARQLG-UHFFFAOYSA-N 1 1 459.660 3.113 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001302080777 1066498365 /nfs/dbraw/zinc/49/83/65/1066498365.db2.gz YLZRSFFWLARQLG-UHFFFAOYSA-N 1 1 459.660 3.113 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001301643640 1066508006 /nfs/dbraw/zinc/50/80/06/1066508006.db2.gz FSNJDGLMQWLBJM-UHFFFAOYSA-N 1 1 468.646 3.487 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H]1CSCCS1 ZINC001302088759 1066515110 /nfs/dbraw/zinc/51/51/10/1066515110.db2.gz GZTHQISSAPFTNH-WIYYLYMNSA-N 1 1 495.690 3.312 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301650688 1066517349 /nfs/dbraw/zinc/51/73/49/1066517349.db2.gz PTFIMNKMTDRUEO-CTNGQTDRSA-N 1 1 489.064 3.404 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001302090438 1066517797 /nfs/dbraw/zinc/51/77/97/1066517797.db2.gz VGIPMDPSCLWBME-GHTZIAJQSA-N 1 1 497.562 3.370 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1c(C)noc1C ZINC001302090721 1066518047 /nfs/dbraw/zinc/51/80/47/1066518047.db2.gz XHWWSFLJQPNRHW-WIYYLYMNSA-N 1 1 468.602 3.366 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302093891 1066521785 /nfs/dbraw/zinc/52/17/85/1066521785.db2.gz XRGIEVMEKLHTEK-XPWALMASSA-N 1 1 462.683 3.045 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302093891 1066521791 /nfs/dbraw/zinc/52/17/91/1066521791.db2.gz XRGIEVMEKLHTEK-XPWALMASSA-N 1 1 462.683 3.045 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302095188 1066524678 /nfs/dbraw/zinc/52/46/78/1066524678.db2.gz SUBMQUFAICUPEW-OAQYLSRUSA-N 1 1 490.693 3.105 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001301656373 1066525586 /nfs/dbraw/zinc/52/55/86/1066525586.db2.gz ZISYLXITRYNRTP-SFHVURJKSA-N 1 1 495.455 3.279 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@H]1CC=CCC1 ZINC001302096851 1066528153 /nfs/dbraw/zinc/52/81/53/1066528153.db2.gz WEXRVHCXUFUGGI-FCHUYYIVSA-N 1 1 453.631 3.494 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301660242 1066530194 /nfs/dbraw/zinc/53/01/94/1066530194.db2.gz IZHHSDUYPQSNNV-IBGZPJMESA-N 1 1 489.064 3.452 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301661572 1066532946 /nfs/dbraw/zinc/53/29/46/1066532946.db2.gz SUSJSUDDGPMMPZ-FGZHOGPDSA-N 1 1 482.673 3.435 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302100243 1066533388 /nfs/dbraw/zinc/53/33/88/1066533388.db2.gz XKOTVOMLQVDSGD-HBMCJLEFSA-N 1 1 451.656 3.374 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302100244 1066533405 /nfs/dbraw/zinc/53/34/05/1066533405.db2.gz XKOTVOMLQVDSGD-NJDAHSKKSA-N 1 1 451.656 3.374 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301662478 1066534727 /nfs/dbraw/zinc/53/47/27/1066534727.db2.gz QDBMVQVHZGECCH-HSZRJFAPSA-N 1 1 466.630 3.040 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301663141 1066535566 /nfs/dbraw/zinc/53/55/66/1066535566.db2.gz ICMBPIMXGMBPKK-UYAOXDASSA-N 1 1 474.600 3.184 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301663366 1066536673 /nfs/dbraw/zinc/53/66/73/1066536673.db2.gz WBCOGEADJMRNAX-SFTDATJTSA-N 1 1 458.676 3.355 20 0 JGADMO O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001301667862 1066545170 /nfs/dbraw/zinc/54/51/70/1066545170.db2.gz LOIRUDGKSKDYEQ-QHCPKHFHSA-N 1 1 452.551 3.456 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302110607 1066549796 /nfs/dbraw/zinc/54/97/96/1066549796.db2.gz FOZAICBHCJWVJC-FGZHOGPDSA-N 1 1 495.734 3.473 20 0 JGADMO COCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001301683437 1066566571 /nfs/dbraw/zinc/56/65/71/1066566571.db2.gz RLKOMMZZBSLDLO-PMACEKPBSA-N 1 1 472.634 3.118 20 0 JGADMO COCCOC1(Cn2c(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)CCOCC1 ZINC001302129515 1066572546 /nfs/dbraw/zinc/57/25/46/1066572546.db2.gz CWZJTCWNJYHMMQ-HSZRJFAPSA-N 1 1 485.673 3.499 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001301691969 1066579588 /nfs/dbraw/zinc/57/95/88/1066579588.db2.gz MVBSOESPUZNQNI-UHFFFAOYSA-N 1 1 466.424 3.209 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001301691969 1066579591 /nfs/dbraw/zinc/57/95/91/1066579591.db2.gz MVBSOESPUZNQNI-UHFFFAOYSA-N 1 1 466.424 3.209 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302134336 1066579785 /nfs/dbraw/zinc/57/97/85/1066579785.db2.gz MBMNPBWZSXPXGW-UHFFFAOYSA-N 1 1 474.694 3.206 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302134336 1066579798 /nfs/dbraw/zinc/57/97/98/1066579798.db2.gz MBMNPBWZSXPXGW-UHFFFAOYSA-N 1 1 474.694 3.206 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001302135260 1066580719 /nfs/dbraw/zinc/58/07/19/1066580719.db2.gz FTQYOBPUCITIML-RLWLMLJZSA-N 1 1 455.647 3.323 20 0 JGADMO CC(=O)N1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001301693091 1066581403 /nfs/dbraw/zinc/58/14/03/1066581403.db2.gz RARVZRJRLNCUGI-SFHVURJKSA-N 1 1 469.565 3.211 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302135511 1066581458 /nfs/dbraw/zinc/58/14/58/1066581458.db2.gz JDGQKKPPQIRSPS-UHFFFAOYSA-N 1 1 456.557 3.024 20 0 JGADMO CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301693323 1066582118 /nfs/dbraw/zinc/58/21/18/1066582118.db2.gz XREXSHBDAFSIRC-NVQXNPDNSA-N 1 1 490.693 3.032 20 0 JGADMO COCCN(C)c1nnc(-c2ccccc2Cl)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001301695078 1066583053 /nfs/dbraw/zinc/58/30/53/1066583053.db2.gz XYMQRJXMSNDNKO-UHFFFAOYSA-N 1 1 470.021 3.288 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301696354 1066585008 /nfs/dbraw/zinc/58/50/08/1066585008.db2.gz NHNPPKAIYPHPQS-HXUWFJFHSA-N 1 1 493.027 3.153 20 0 JGADMO COCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001301698198 1066586859 /nfs/dbraw/zinc/58/68/59/1066586859.db2.gz KRFZAAQUGFKCQR-VQTJNVASSA-N 1 1 481.645 3.439 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302140970 1066588979 /nfs/dbraw/zinc/58/89/79/1066588979.db2.gz UMZXFDOODWOYQO-VWLOTQADSA-N 1 1 459.610 3.215 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302140970 1066588989 /nfs/dbraw/zinc/58/89/89/1066588989.db2.gz UMZXFDOODWOYQO-VWLOTQADSA-N 1 1 459.610 3.215 20 0 JGADMO CC(=O)N1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301699944 1066589276 /nfs/dbraw/zinc/58/92/76/1066589276.db2.gz GCTXZRCBGLDIRZ-VWPQPMDRSA-N 1 1 460.667 3.335 20 0 JGADMO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001301700365 1066589656 /nfs/dbraw/zinc/58/96/56/1066589656.db2.gz XHAGBVJNCZBEGG-DEOSSOPVSA-N 1 1 466.674 3.490 20 0 JGADMO COCCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301703834 1066592463 /nfs/dbraw/zinc/59/24/63/1066592463.db2.gz SXEYCNXBEYEWTD-JOCHJYFZSA-N 1 1 470.643 3.008 20 0 JGADMO CC(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCn2cc[nH+]c2C)CC1 ZINC001301704250 1066593224 /nfs/dbraw/zinc/59/32/24/1066593224.db2.gz MZJOYJSEQBBZNO-FGZHOGPDSA-N 1 1 471.650 3.241 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302144468 1066593524 /nfs/dbraw/zinc/59/35/24/1066593524.db2.gz JCHPVEJKCCOYEM-QFIPXVFZSA-N 1 1 463.667 3.144 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccccc3F)C[C@@H]2C)CC1 ZINC001301707022 1066597088 /nfs/dbraw/zinc/59/70/88/1066597088.db2.gz ANSGDTMJJQSOSK-AVRDEDQJSA-N 1 1 456.610 3.142 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)Oc3ccccc3)C[C@@H]2C)CC1 ZINC001301707662 1066598436 /nfs/dbraw/zinc/59/84/36/1066598436.db2.gz DZDPSWSYWCDFDB-WRALFONMSA-N 1 1 482.673 3.323 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(COc4ccc(F)cc4)n3CC(C)C)C[C@H]2C)CC1 ZINC001301707697 1066598571 /nfs/dbraw/zinc/59/85/71/1066598571.db2.gz FBQBARLTTHFZAK-AUSIDOKSSA-N 1 1 472.609 3.031 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3Cc3ccnc(C(F)(F)F)c3)C[C@@H]2C)CC1 ZINC001301708173 1066599519 /nfs/dbraw/zinc/59/95/19/1066599519.db2.gz IXURAHHALFKDAG-PXNSSMCTSA-N 1 1 493.578 3.243 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCc3sc(C)nc3C)C[C@H]2C)CC1 ZINC001301710316 1066604069 /nfs/dbraw/zinc/60/40/69/1066604069.db2.gz YLLWATXYWQTZRB-DYESRHJHSA-N 1 1 473.691 3.096 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001301710151 1066604187 /nfs/dbraw/zinc/60/41/87/1066604187.db2.gz DFVJRSXYHZEBBH-FYYLOGMGSA-N 1 1 484.645 3.121 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CSCCS3)C[C@H]2C)CC1 ZINC001301710563 1066604890 /nfs/dbraw/zinc/60/48/90/1066604890.db2.gz ZGXLSKYVUFIHRL-HMXCVIKNSA-N 1 1 494.775 3.094 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCc3sc(C)nc3C)C[C@@H]2C)CC1 ZINC001301710319 1066604914 /nfs/dbraw/zinc/60/49/14/1066604914.db2.gz YLLWATXYWQTZRB-UWJYYQICSA-N 1 1 473.691 3.096 20 0 JGADMO COCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001301711436 1066606712 /nfs/dbraw/zinc/60/67/12/1066606712.db2.gz ZSGCHFJMCFADDU-SLFFLAALSA-N 1 1 464.655 3.396 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001301712245 1066607863 /nfs/dbraw/zinc/60/78/63/1066607863.db2.gz BUAFZXSEVCTUJF-UHFFFAOYSA-N 1 1 493.656 3.156 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301712980 1066609858 /nfs/dbraw/zinc/60/98/58/1066609858.db2.gz LBPADMOUTLMREH-CTNGQTDRSA-N 1 1 454.619 3.188 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001301712997 1066610384 /nfs/dbraw/zinc/61/03/84/1066610384.db2.gz HZUVDAFHSIMEKH-BGYRXZFFSA-N 1 1 488.633 3.118 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001301713330 1066611623 /nfs/dbraw/zinc/61/16/23/1066611623.db2.gz KRAYURUWNUFHJS-IBGZPJMESA-N 1 1 458.010 3.294 20 0 JGADMO COCCO[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001302157415 1066612991 /nfs/dbraw/zinc/61/29/91/1066612991.db2.gz QGNAJZMGUMXBFH-JTHBVZDNSA-N 1 1 470.662 3.406 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001301713729 1066613602 /nfs/dbraw/zinc/61/36/02/1066613602.db2.gz NOHIXCXUHDMARG-JKSUJKDBSA-N 1 1 485.496 3.345 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001301714028 1066614982 /nfs/dbraw/zinc/61/49/82/1066614982.db2.gz QSNVRFJNXBJSMT-LJQANCHMSA-N 1 1 492.068 3.093 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001301717158 1066618595 /nfs/dbraw/zinc/61/85/95/1066618595.db2.gz NUKIYZHFTGMQNG-DEOSSOPVSA-N 1 1 488.036 3.052 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302160926 1066619196 /nfs/dbraw/zinc/61/91/96/1066619196.db2.gz OZPBFQREXSXOSQ-IBGZPJMESA-N 1 1 453.697 3.392 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001301717159 1066619314 /nfs/dbraw/zinc/61/93/14/1066619314.db2.gz NUKIYZHFTGMQNG-XMMPIXPASA-N 1 1 488.036 3.052 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C ZINC001301718115 1066619879 /nfs/dbraw/zinc/61/98/79/1066619879.db2.gz BOEYGENMWCSSIQ-RTWAWAEBSA-N 1 1 494.681 3.180 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C ZINC001301718113 1066620038 /nfs/dbraw/zinc/62/00/38/1066620038.db2.gz BOEYGENMWCSSIQ-LEWJYISDSA-N 1 1 494.681 3.180 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001301718006 1066620080 /nfs/dbraw/zinc/62/00/80/1066620080.db2.gz YVZSGWLFBYKVBA-INIZCTEOSA-N 1 1 457.529 3.105 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(OC)c(C)cc2C1 ZINC001301718008 1066620091 /nfs/dbraw/zinc/62/00/91/1066620091.db2.gz YWGPCPRGQFRVDP-UHFFFAOYSA-N 1 1 464.614 3.497 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001301718098 1066620110 /nfs/dbraw/zinc/62/01/10/1066620110.db2.gz AZEDCMCGTWVNCO-UHFFFAOYSA-N 1 1 493.027 3.269 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001301718525 1066620902 /nfs/dbraw/zinc/62/09/02/1066620902.db2.gz GYZGZYMTBJGARI-SFHVURJKSA-N 1 1 467.618 3.435 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001301719496 1066621277 /nfs/dbraw/zinc/62/12/77/1066621277.db2.gz RJODJXZVQGVYIV-GOSISDBHSA-N 1 1 467.618 3.435 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001301719308 1066621476 /nfs/dbraw/zinc/62/14/76/1066621476.db2.gz QENGPRSVZDQHHK-HSZRJFAPSA-N 1 1 450.587 3.195 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001301719993 1066621754 /nfs/dbraw/zinc/62/17/54/1066621754.db2.gz YHTQTDMTFLNVER-QFIPXVFZSA-N 1 1 459.610 3.108 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001301720203 1066622516 /nfs/dbraw/zinc/62/25/16/1066622516.db2.gz BKUMYVBBULCQHS-DNVJHFABSA-N 1 1 477.694 3.418 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001301720569 1066623731 /nfs/dbraw/zinc/62/37/31/1066623731.db2.gz HQZYTRPQYZYPIG-CIAFKFPVSA-N 1 1 463.667 3.313 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(=O)OC)CC1 ZINC001301720671 1066624262 /nfs/dbraw/zinc/62/42/62/1066624262.db2.gz AWIHYPGZGAJQMW-UHFFFAOYSA-N 1 1 493.033 3.280 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001302163791 1066624359 /nfs/dbraw/zinc/62/43/59/1066624359.db2.gz RBCCTQYJBAWCJM-YADHBBJMSA-N 1 1 452.647 3.133 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC001301721259 1066626384 /nfs/dbraw/zinc/62/63/84/1066626384.db2.gz JZPSXJWGNCHZHQ-INIZCTEOSA-N 1 1 492.466 3.215 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001301721646 1066627736 /nfs/dbraw/zinc/62/77/36/1066627736.db2.gz JRJIXRIQAGNILQ-JXQFQVJHSA-N 1 1 494.036 3.034 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC=C(Br)C1 ZINC001301722682 1066631741 /nfs/dbraw/zinc/63/17/41/1066631741.db2.gz SDILZJXCPINTRD-UHFFFAOYSA-N 1 1 480.407 3.029 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)C1 ZINC001301726951 1066636014 /nfs/dbraw/zinc/63/60/14/1066636014.db2.gz XSEDXXYBEIQNJA-ZDUSSCGKSA-N 1 1 460.467 3.289 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302169735 1066638935 /nfs/dbraw/zinc/63/89/35/1066638935.db2.gz VIADNCFMIRZZAD-OALUTQOASA-N 1 1 463.026 3.356 20 0 JGADMO COCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC001301725326 1066639583 /nfs/dbraw/zinc/63/95/83/1066639583.db2.gz CZEAZLMMSGGVOZ-HXUWFJFHSA-N 1 1 452.603 3.135 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC001301725326 1066639593 /nfs/dbraw/zinc/63/95/93/1066639593.db2.gz CZEAZLMMSGGVOZ-HXUWFJFHSA-N 1 1 452.603 3.135 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(C)C)C1 ZINC001301726003 1066641524 /nfs/dbraw/zinc/64/15/24/1066641524.db2.gz MLFFEPXUVUTFPZ-FQEVSTJZSA-N 1 1 451.999 3.047 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001302171637 1066641616 /nfs/dbraw/zinc/64/16/16/1066641616.db2.gz AKEYQJGUKYQYPC-QFIPXVFZSA-N 1 1 457.619 3.317 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001301726079 1066642314 /nfs/dbraw/zinc/64/23/14/1066642314.db2.gz OGCBAKPFIDXXAK-XLIONFOSSA-N 1 1 464.010 3.191 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1Cc1ccc(F)cn1 ZINC001302171819 1066642303 /nfs/dbraw/zinc/64/23/03/1066642303.db2.gz CQTXNWOJYPXQCW-QFIPXVFZSA-N 1 1 482.604 3.011 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1CCSC1 ZINC001301726059 1066642430 /nfs/dbraw/zinc/64/24/30/1066642430.db2.gz NXTPKLYPHJFZMU-OAHLLOKOSA-N 1 1 484.464 3.236 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001301726078 1066642449 /nfs/dbraw/zinc/64/24/49/1066642449.db2.gz OGCBAKPFIDXXAK-PXNSSMCTSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001301726450 1066643017 /nfs/dbraw/zinc/64/30/17/1066643017.db2.gz SKHNYRNQLKOYKH-JXFKEZNVSA-N 1 1 451.999 3.047 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)C1 ZINC001301727005 1066644398 /nfs/dbraw/zinc/64/43/98/1066644398.db2.gz YSBMERQUFKJXKB-HNNXBMFYSA-N 1 1 452.397 3.141 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001301727362 1066644867 /nfs/dbraw/zinc/64/48/67/1066644867.db2.gz CFBWGKKWDPOVRG-WMZOPIPTSA-N 1 1 464.408 3.283 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N(C)CC(F)(F)F ZINC001301727372 1066644944 /nfs/dbraw/zinc/64/49/44/1066644944.db2.gz CJPIWGSWUVAEPH-UHFFFAOYSA-N 1 1 450.303 3.284 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302174167 1066645698 /nfs/dbraw/zinc/64/56/98/1066645698.db2.gz NFAAPIYFMUMIQN-ZWKOTPCHSA-N 1 1 478.435 3.434 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS[C@@H](C)C1 ZINC001301727681 1066645960 /nfs/dbraw/zinc/64/59/60/1066645960.db2.gz JPPRHIATJNFJPT-HNNXBMFYSA-N 1 1 484.464 3.236 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001301727975 1066646332 /nfs/dbraw/zinc/64/63/32/1066646332.db2.gz QDWXVWIKNNXOBG-VWLOTQADSA-N 1 1 475.634 3.182 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C)c2ccccc2C1 ZINC001301728026 1066646350 /nfs/dbraw/zinc/64/63/50/1066646350.db2.gz SDBWTBKPPOWWQG-UHFFFAOYSA-N 1 1 455.994 3.028 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001301728044 1066646452 /nfs/dbraw/zinc/64/64/52/1066646452.db2.gz SPMFBTNILDKFFW-UHFFFAOYSA-N 1 1 479.025 3.234 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301728082 1066647237 /nfs/dbraw/zinc/64/72/37/1066647237.db2.gz UPBBTRRMPALXMX-XLIONFOSSA-N 1 1 476.597 3.012 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001301730292 1066649221 /nfs/dbraw/zinc/64/92/21/1066649221.db2.gz RYASBNUSUBXUJT-UHFFFAOYSA-N 1 1 459.392 3.317 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCN1CCOC(C)(C)C1 ZINC001302175770 1066649726 /nfs/dbraw/zinc/64/97/26/1066649726.db2.gz HXGNMQOPYOOJCO-UHFFFAOYSA-N 1 1 484.689 3.179 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001301730665 1066649942 /nfs/dbraw/zinc/64/99/42/1066649942.db2.gz YURCSRAEHKHFTP-NRFANRHFSA-N 1 1 456.978 3.150 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001301730832 1066650104 /nfs/dbraw/zinc/65/01/04/1066650104.db2.gz MOUOWRKKIADNES-RTWAWAEBSA-N 1 1 461.614 3.308 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001301734518 1066655960 /nfs/dbraw/zinc/65/59/60/1066655960.db2.gz PEHJZWAAZACXGI-UHFFFAOYSA-N 1 1 459.463 3.424 20 0 JGADMO COCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001301735806 1066658015 /nfs/dbraw/zinc/65/80/15/1066658015.db2.gz DXAWJQFKLJPZEW-UHFFFAOYSA-N 1 1 496.628 3.254 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001301736158 1066658174 /nfs/dbraw/zinc/65/81/74/1066658174.db2.gz IUXNSYSSCRCZAM-HXUWFJFHSA-N 1 1 467.536 3.406 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301736293 1066658850 /nfs/dbraw/zinc/65/88/50/1066658850.db2.gz JVDRBQLLHYRRLN-NRFANRHFSA-N 1 1 478.682 3.425 20 0 JGADMO COCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001301736964 1066659641 /nfs/dbraw/zinc/65/96/41/1066659641.db2.gz QUPZJOBAEZOCBU-XMMPIXPASA-N 1 1 472.659 3.175 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC001301738506 1066660080 /nfs/dbraw/zinc/66/00/80/1066660080.db2.gz SRFPCVRNZKIBPC-PIXQIBFHSA-N 1 1 457.615 3.477 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC001301738503 1066660149 /nfs/dbraw/zinc/66/01/49/1066660149.db2.gz SRFPCVRNZKIBPC-BILGYAHESA-N 1 1 457.615 3.477 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001301741157 1066662579 /nfs/dbraw/zinc/66/25/79/1066662579.db2.gz NRWOKQKNZXZDTJ-DHIUTWEWSA-N 1 1 487.693 3.196 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301742757 1066665736 /nfs/dbraw/zinc/66/57/36/1066665736.db2.gz CBNNITUDFYQTEY-GOSISDBHSA-N 1 1 460.573 3.080 20 0 JGADMO CC(C)(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302188752 1066667227 /nfs/dbraw/zinc/66/72/27/1066667227.db2.gz LIHDSYLGJJHMAV-IBGZPJMESA-N 1 1 474.675 3.254 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC001301744221 1066668693 /nfs/dbraw/zinc/66/86/93/1066668693.db2.gz JUCHZFMBDMTSDR-FCHUYYIVSA-N 1 1 452.647 3.499 20 0 JGADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC001301747149 1066674527 /nfs/dbraw/zinc/67/45/27/1066674527.db2.gz SYLUIHJKPBAVAY-UHFFFAOYSA-N 1 1 451.958 3.039 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)CC1 ZINC001302192471 1066676889 /nfs/dbraw/zinc/67/68/89/1066676889.db2.gz IKPBPYOVWNDNIE-IBGZPJMESA-N 1 1 465.689 3.043 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CC1 ZINC001302192477 1066676972 /nfs/dbraw/zinc/67/69/72/1066676972.db2.gz IKZKBRHTHRYKIK-HXUWFJFHSA-N 1 1 481.707 3.088 20 0 JGADMO COCCOC[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001302192582 1066677420 /nfs/dbraw/zinc/67/74/20/1066677420.db2.gz DESXMYUXEGVZRK-HXUWFJFHSA-N 1 1 453.591 3.002 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001302194083 1066681152 /nfs/dbraw/zinc/68/11/52/1066681152.db2.gz AQCWDQKPSTYJEH-MRXNPFEDSA-N 1 1 484.041 3.483 20 0 JGADMO CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301750628 1066681180 /nfs/dbraw/zinc/68/11/80/1066681180.db2.gz SXJPEVJSPJVYHN-JOCHJYFZSA-N 1 1 468.646 3.223 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001302194924 1066682955 /nfs/dbraw/zinc/68/29/55/1066682955.db2.gz KYIGXOYTBAKMAN-UHFFFAOYSA-N 1 1 468.627 3.125 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001302200076 1066693337 /nfs/dbraw/zinc/69/33/37/1066693337.db2.gz KCSMSYKTHTZHLQ-UHFFFAOYSA-N 1 1 499.607 3.429 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001302200580 1066694810 /nfs/dbraw/zinc/69/48/10/1066694810.db2.gz OYQDTIDVOAVEOW-UHFFFAOYSA-N 1 1 489.064 3.115 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001302200905 1066695376 /nfs/dbraw/zinc/69/53/76/1066695376.db2.gz UCQVMJFCSFMOHU-UHFFFAOYSA-N 1 1 460.692 3.352 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001301763148 1066702390 /nfs/dbraw/zinc/70/23/90/1066702390.db2.gz DEFOKFFBDXUKEY-SJORKVTESA-N 1 1 475.435 3.106 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H](C)Oc4ccccc4F)n3CC(C)C)C[C@@H]2C)CC1 ZINC001301763670 1066703734 /nfs/dbraw/zinc/70/37/34/1066703734.db2.gz GVWIIIKDCWQIJY-CNNODRBYSA-N 1 1 472.609 3.202 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3cccc(F)c3)C[C@@H]2C)CC1 ZINC001301764681 1066705336 /nfs/dbraw/zinc/70/53/36/1066705336.db2.gz JUZYGVRAWCLBKH-SFYKDHMMSA-N 1 1 486.636 3.171 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001301767352 1066709301 /nfs/dbraw/zinc/70/93/01/1066709301.db2.gz RHGCDFWUXRAKKR-IBGZPJMESA-N 1 1 482.032 3.398 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3c(F)cccc3OC(F)F)C[C@H]2C)CC1 ZINC001301767542 1066709838 /nfs/dbraw/zinc/70/98/38/1066709838.db2.gz QPUXFWGGLFYPGE-UZLBHIALSA-N 1 1 494.562 3.179 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001301767380 1066709911 /nfs/dbraw/zinc/70/99/11/1066709911.db2.gz RUQMCHYESRICQR-UHFFFAOYSA-N 1 1 475.519 3.093 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(Cl)c3)C[C@@H]2C)CC1 ZINC001301768583 1066711533 /nfs/dbraw/zinc/71/15/33/1066711533.db2.gz XMTAACXUXMWNEQ-LAUBAEHRSA-N 1 1 459.038 3.266 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccc4Cl)n3CC(F)(F)F)C[C@H]2C)CC1 ZINC001301768622 1066712449 /nfs/dbraw/zinc/71/24/49/1066712449.db2.gz YAGZCDAKPIUBBY-KDOFPFPSSA-N 1 1 470.927 3.150 20 0 JGADMO CC(C)(C)OC(=O)N(CCn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)C1CC1 ZINC001302219724 1066722370 /nfs/dbraw/zinc/72/23/70/1066722370.db2.gz QZOKSHKPDLXWHZ-RUZDIDTESA-N 1 1 476.666 3.276 20 0 JGADMO CC(=O)Nc1ccc(CCn2c(C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001301776877 1066723297 /nfs/dbraw/zinc/72/32/97/1066723297.db2.gz JWWOQAXWMRZJIX-KDURUIRLSA-N 1 1 454.619 3.113 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(-c2cnccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001301779279 1066727683 /nfs/dbraw/zinc/72/76/83/1066727683.db2.gz CNISNMSHHAWTSS-UHFFFAOYSA-N 1 1 453.591 3.412 20 0 JGADMO COCCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301783267 1066732089 /nfs/dbraw/zinc/73/20/89/1066732089.db2.gz VSKDKSFRYCIWQN-OAQYLSRUSA-N 1 1 450.587 3.022 20 0 JGADMO CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N3CC[NH2+][C@H](c4ccc(O)cc4)C3)o2)CC1 ZINC001301800976 1066752654 /nfs/dbraw/zinc/75/26/54/1066752654.db2.gz BEMKGZQDSRENFJ-IBGZPJMESA-N 1 1 456.543 3.281 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001301802517 1066753552 /nfs/dbraw/zinc/75/35/52/1066753552.db2.gz HVPBYCADQANCFU-DZIBYMRMSA-N 1 1 493.027 3.342 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001301802517 1066753557 /nfs/dbraw/zinc/75/35/57/1066753557.db2.gz HVPBYCADQANCFU-DZIBYMRMSA-N 1 1 493.027 3.342 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301802964 1066754195 /nfs/dbraw/zinc/75/41/95/1066754195.db2.gz KBQKYDRYZUHUSO-RBKXMNCYSA-N 1 1 453.635 3.344 20 0 JGADMO CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)CC1 ZINC001301805559 1066757588 /nfs/dbraw/zinc/75/75/88/1066757588.db2.gz ZYPOFGCVZIYJII-IBGZPJMESA-N 1 1 456.543 3.281 20 0 JGADMO CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)CC1 ZINC001301805560 1066757621 /nfs/dbraw/zinc/75/76/21/1066757621.db2.gz ZYPOFGCVZIYJII-LJQANCHMSA-N 1 1 456.543 3.281 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301807374 1066760804 /nfs/dbraw/zinc/76/08/04/1066760804.db2.gz LCWBETUYBYKDLG-UHFFFAOYSA-N 1 1 450.631 3.209 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301807483 1066760968 /nfs/dbraw/zinc/76/09/68/1066760968.db2.gz HNRRNOGDGAFKKV-UHFFFAOYSA-N 1 1 467.662 3.269 20 0 JGADMO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001302241001 1066764962 /nfs/dbraw/zinc/76/49/62/1066764962.db2.gz KUQQYIOBNBMTPM-WOJBJXKFSA-N 1 1 492.665 3.076 20 0 JGADMO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCO1 ZINC001302240997 1066765068 /nfs/dbraw/zinc/76/50/68/1066765068.db2.gz KUQQYIOBNBMTPM-VQTJNVASSA-N 1 1 492.665 3.076 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301813609 1066768574 /nfs/dbraw/zinc/76/85/74/1066768574.db2.gz MPRXYNYNEPGNNS-GOTSBHOMSA-N 1 1 495.672 3.373 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001301817386 1066775746 /nfs/dbraw/zinc/77/57/46/1066775746.db2.gz CGAKQCLNLKMVTM-MAUKXSAKSA-N 1 1 493.425 3.436 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302247889 1066779077 /nfs/dbraw/zinc/77/90/77/1066779077.db2.gz HUHYGEGJLQIPIC-GPFNJZLUSA-N 1 1 473.666 3.109 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC[N@@H+]1CC=CCC1 ZINC001302248397 1066781042 /nfs/dbraw/zinc/78/10/42/1066781042.db2.gz LRMJETLEZGUSSS-UWJYYQICSA-N 1 1 465.520 3.318 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001301824888 1066787719 /nfs/dbraw/zinc/78/77/19/1066787719.db2.gz PBYMSOJUZGBZFX-YADHBBJMSA-N 1 1 453.635 3.121 20 0 JGADMO COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001301825820 1066788108 /nfs/dbraw/zinc/78/81/08/1066788108.db2.gz VLNUVBBGZWAEDR-UHFFFAOYSA-N 1 1 491.478 3.349 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301829334 1066794918 /nfs/dbraw/zinc/79/49/18/1066794918.db2.gz OMNSOFBKPMKYBN-PQNGQFLHSA-N 1 1 452.647 3.289 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301830358 1066796471 /nfs/dbraw/zinc/79/64/71/1066796471.db2.gz ZSMCFUUHMKFUKV-NZQKXSOJSA-N 1 1 482.032 3.325 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cccn3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301840325 1066811574 /nfs/dbraw/zinc/81/15/74/1066811574.db2.gz CVJNLCKNTPCISO-HXUWFJFHSA-N 1 1 463.630 3.299 20 0 JGADMO COCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001301841101 1066812596 /nfs/dbraw/zinc/81/25/96/1066812596.db2.gz CPDFYMCGVLXRCM-PZJWPPBQSA-N 1 1 482.654 3.405 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301844504 1066818019 /nfs/dbraw/zinc/81/80/19/1066818019.db2.gz KEFKUIPXPWWYOD-LJQANCHMSA-N 1 1 456.610 3.377 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001301850557 1066825412 /nfs/dbraw/zinc/82/54/12/1066825412.db2.gz AVNBDTZWXRKNPZ-UHFFFAOYSA-N 1 1 472.609 3.366 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001301852435 1066829825 /nfs/dbraw/zinc/82/98/25/1066829825.db2.gz DHHYBBJOVYNHTN-QFIPXVFZSA-N 1 1 482.673 3.317 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302272456 1066831240 /nfs/dbraw/zinc/83/12/40/1066831240.db2.gz HFEQLEWCHBIMKV-TWGBQZSLSA-N 1 1 463.667 3.374 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301854348 1066833377 /nfs/dbraw/zinc/83/33/77/1066833377.db2.gz VQCCEUYLMPVKBT-LJQANCHMSA-N 1 1 487.446 3.322 20 0 JGADMO CC(C)(C)OC(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001302274697 1066837450 /nfs/dbraw/zinc/83/74/50/1066837450.db2.gz CZJGHDBERNNTIE-UHFFFAOYSA-N 1 1 483.642 3.172 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(I)cc1O ZINC001302280434 1066848741 /nfs/dbraw/zinc/84/87/41/1066848741.db2.gz DNNOKXUOMTYEQX-ZBFHGGJFSA-N 1 1 450.320 3.495 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302286649 1066858719 /nfs/dbraw/zinc/85/87/19/1066858719.db2.gz JSZDQPDOUMDJEB-LJQANCHMSA-N 1 1 458.632 3.296 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001301867804 1066859124 /nfs/dbraw/zinc/85/91/24/1066859124.db2.gz NFJMJDJZWYYNSH-JWQCQUIFSA-N 1 1 482.673 3.120 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001301874779 1066875813 /nfs/dbraw/zinc/87/58/13/1066875813.db2.gz OGTALGSQHRUQEJ-LJQANCHMSA-N 1 1 459.635 3.240 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1C ZINC001301875320 1066876385 /nfs/dbraw/zinc/87/63/85/1066876385.db2.gz SZSOWWTVVKKDBZ-FUPPJEDESA-N 1 1 484.645 3.119 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1C ZINC001301875320 1066876390 /nfs/dbraw/zinc/87/63/90/1066876390.db2.gz SZSOWWTVVKKDBZ-FUPPJEDESA-N 1 1 484.645 3.119 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1C ZINC001301875321 1066876542 /nfs/dbraw/zinc/87/65/42/1066876542.db2.gz SZSOWWTVVKKDBZ-GIWBLDEGSA-N 1 1 484.645 3.119 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1C ZINC001301875321 1066876553 /nfs/dbraw/zinc/87/65/53/1066876553.db2.gz SZSOWWTVVKKDBZ-GIWBLDEGSA-N 1 1 484.645 3.119 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(OC)CCC2)C[C@H]1C ZINC001301875246 1066876584 /nfs/dbraw/zinc/87/65/84/1066876584.db2.gz SOSVGJWJCWVOHG-OAQYLSRUSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(OC)CCC2)C[C@H]1C ZINC001301875246 1066876598 /nfs/dbraw/zinc/87/65/98/1066876598.db2.gz SOSVGJWJCWVOHG-OAQYLSRUSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1C ZINC001301875319 1066876612 /nfs/dbraw/zinc/87/66/12/1066876612.db2.gz SZSOWWTVVKKDBZ-FUDKSRODSA-N 1 1 484.645 3.119 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1C ZINC001301875319 1066876620 /nfs/dbraw/zinc/87/66/20/1066876620.db2.gz SZSOWWTVVKKDBZ-FUDKSRODSA-N 1 1 484.645 3.119 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2CC(C)(C)c2ccc3c(c2)OCCO3)C[C@H]1C ZINC001301874896 1066876767 /nfs/dbraw/zinc/87/67/67/1066876767.db2.gz MJIZPSSBCRZDSB-LJQANCHMSA-N 1 1 457.619 3.307 20 0 JGADMO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301876326 1066877226 /nfs/dbraw/zinc/87/72/26/1066877226.db2.gz ZXWBPRNWKOTNGN-HSZRJFAPSA-N 1 1 497.688 3.036 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2Cc2ccc(I)cc2)C[C@H]1C ZINC001301875961 1066877456 /nfs/dbraw/zinc/87/74/56/1066877456.db2.gz SPBBXYRFSYNOOY-MRXNPFEDSA-N 1 1 483.398 3.211 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001301877440 1066879485 /nfs/dbraw/zinc/87/94/85/1066879485.db2.gz NCYXSTOVDRNZGK-PUHATCMVSA-N 1 1 471.646 3.476 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccccn2)C[C@@H]1C ZINC001301877718 1066879586 /nfs/dbraw/zinc/87/95/86/1066879586.db2.gz QWVCIMHEMDNWHW-VQTJNVASSA-N 1 1 468.577 3.352 20 0 JGADMO COCCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001301877740 1066880316 /nfs/dbraw/zinc/88/03/16/1066880316.db2.gz RDALBZQYWLHCOC-VQTJNVASSA-N 1 1 474.625 3.198 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2cn[nH]c2)C[C@@H]1C ZINC001301877751 1066880379 /nfs/dbraw/zinc/88/03/79/1066880379.db2.gz RGYPSNCHLLAHPR-ROUUACIJSA-N 1 1 474.009 3.194 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCCCC2)C[C@H]1C ZINC001301878196 1066881267 /nfs/dbraw/zinc/88/12/67/1066881267.db2.gz UFNUGQSUVDWUIA-WOJBJXKFSA-N 1 1 475.609 3.409 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001302298196 1066881742 /nfs/dbraw/zinc/88/17/42/1066881742.db2.gz DMPCOGQUUHTFBT-UHFFFAOYSA-N 1 1 456.635 3.159 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001302298196 1066881744 /nfs/dbraw/zinc/88/17/44/1066881744.db2.gz DMPCOGQUUHTFBT-UHFFFAOYSA-N 1 1 456.635 3.159 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cnccc2OC)CC1 ZINC001301878664 1066882808 /nfs/dbraw/zinc/88/28/08/1066882808.db2.gz YZBMHMCDHQZVFI-OAQYLSRUSA-N 1 1 480.613 3.255 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001302300761 1066885341 /nfs/dbraw/zinc/88/53/41/1066885341.db2.gz UCRJBHJNBWRCEQ-UHFFFAOYSA-N 1 1 456.635 3.159 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(F)ccc2F)CC1 ZINC001301880986 1066887082 /nfs/dbraw/zinc/88/70/82/1066887082.db2.gz ARWNYSPUWUHQLT-UHFFFAOYSA-N 1 1 495.372 3.141 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)COC)C[C@H]1C ZINC001301881685 1066888373 /nfs/dbraw/zinc/88/83/73/1066888373.db2.gz HGBLMLBHJPEWHP-IAGOWNOFSA-N 1 1 466.424 3.147 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001301881779 1066889106 /nfs/dbraw/zinc/88/91/06/1066889106.db2.gz ISPPVGUOTUXWDT-WGLOFEKDSA-N 1 1 497.612 3.005 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001301881779 1066889115 /nfs/dbraw/zinc/88/91/15/1066889115.db2.gz ISPPVGUOTUXWDT-WGLOFEKDSA-N 1 1 497.612 3.005 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)Oc1cccc(OC)c1 ZINC001302303166 1066889769 /nfs/dbraw/zinc/88/97/69/1066889769.db2.gz AGWYGESIVJZNQF-DPLHUUCSSA-N 1 1 487.645 3.399 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCO[C@@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302303767 1066890986 /nfs/dbraw/zinc/89/09/86/1066890986.db2.gz LLAWYNFITTWDOF-WIYBCGNWSA-N 1 1 463.667 3.374 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001301883398 1066891523 /nfs/dbraw/zinc/89/15/23/1066891523.db2.gz WEKSNWOMUILVPD-CQSZACIVSA-N 1 1 473.366 3.240 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H]2C[C@H](F)C2)C[C@H]1C ZINC001301883466 1066892175 /nfs/dbraw/zinc/89/21/75/1066892175.db2.gz YJSAKAGMUARMRB-JFIYKMOQSA-N 1 1 483.430 3.341 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ncccc2F)C[C@H]1C ZINC001301883697 1066892415 /nfs/dbraw/zinc/89/24/15/1066892415.db2.gz ZXQVAXCIJUPUNE-QGZVFWFLSA-N 1 1 474.968 3.369 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(C)(C)C)C[C@@H]1C ZINC001301885543 1066894023 /nfs/dbraw/zinc/89/40/23/1066894023.db2.gz JEPDPMMJHZVSMN-IBGZPJMESA-N 1 1 477.675 3.332 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2cccn2)C[C@@H]1C ZINC001301885595 1066894103 /nfs/dbraw/zinc/89/41/03/1066894103.db2.gz KJTNODJDFTWHBY-INIZCTEOSA-N 1 1 494.463 3.213 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(SC)c2)C[C@@H]1C ZINC001301885649 1066894698 /nfs/dbraw/zinc/89/46/98/1066894698.db2.gz LCDJNLOXVVEONT-SFHVURJKSA-N 1 1 468.627 3.276 20 0 JGADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CC(O)(c4cccc(Br)c4)C3)cc2)C[C@H](C)O1 ZINC001302305861 1066895206 /nfs/dbraw/zinc/89/52/06/1066895206.db2.gz AWENYPBWAJQDFC-IRXDYDNUSA-N 1 1 459.384 3.402 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001301886542 1066897883 /nfs/dbraw/zinc/89/78/83/1066897883.db2.gz ARGZCJXHLFGQRQ-HNNXBMFYSA-N 1 1 464.401 3.191 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001301886512 1066897993 /nfs/dbraw/zinc/89/79/93/1066897993.db2.gz AHFBKRUTBJLXMV-UHFFFAOYSA-N 1 1 488.011 3.033 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCSC)CC1 ZINC001301886729 1066898536 /nfs/dbraw/zinc/89/85/36/1066898536.db2.gz ZUOKJFAUCXMVPY-UHFFFAOYSA-N 1 1 460.467 3.291 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(C)CCOCC2)CC1 ZINC001301886975 1066899049 /nfs/dbraw/zinc/89/90/49/1066899049.db2.gz FKALCQYUALQRPC-UHFFFAOYSA-N 1 1 487.645 3.326 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001301887287 1066900225 /nfs/dbraw/zinc/90/02/25/1066900225.db2.gz ICIDJHWMLRLXMV-AOMKIAJQSA-N 1 1 486.444 3.196 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001301887306 1066900834 /nfs/dbraw/zinc/90/08/34/1066900834.db2.gz IMXIVSVBPWCGOX-FPOVZHCZSA-N 1 1 463.026 3.213 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(OC)CCOC2)C[C@H]1C ZINC001301887777 1066901290 /nfs/dbraw/zinc/90/12/90/1066901290.db2.gz KZKPVOIHZFGRMA-OPAMFIHVSA-N 1 1 484.428 3.214 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C(C)(C)C)no2)C[C@H]1C ZINC001301887814 1066901407 /nfs/dbraw/zinc/90/14/07/1066901407.db2.gz LMMRQEGXBXTFAB-MRXNPFEDSA-N 1 1 474.009 3.484 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001301888195 1066902990 /nfs/dbraw/zinc/90/29/90/1066902990.db2.gz OATNGHAVIIIQLU-OXJNMPFZSA-N 1 1 496.425 3.430 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001301888189 1066903142 /nfs/dbraw/zinc/90/31/42/1066903142.db2.gz NVAFHORCHJJNPV-QGZVFWFLSA-N 1 1 451.040 3.294 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(F)c(COC)c2)C[C@@H]1C ZINC001301888345 1066903624 /nfs/dbraw/zinc/90/36/24/1066903624.db2.gz MQIYHJWPDDRZPG-KRWDZBQOSA-N 1 1 457.550 3.337 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001301888526 1066904287 /nfs/dbraw/zinc/90/42/87/1066904287.db2.gz RIWVKIUNYJJCLV-GOSISDBHSA-N 1 1 465.017 3.380 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCn2ccnc2C)C[C@@H]1C ZINC001301888543 1066904482 /nfs/dbraw/zinc/90/44/82/1066904482.db2.gz RPQJXVPIANTVSK-SFHVURJKSA-N 1 1 473.025 3.136 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001301889083 1066905482 /nfs/dbraw/zinc/90/54/82/1066905482.db2.gz STLWKTOQTAULHG-FQEVSTJZSA-N 1 1 470.662 3.314 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCCC1(C)C ZINC001302311776 1066905757 /nfs/dbraw/zinc/90/57/57/1066905757.db2.gz QCSCAKPJZJTHFT-BDTNDASRSA-N 1 1 463.667 3.375 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H](OC)C(C)(C)C ZINC001302311849 1066906083 /nfs/dbraw/zinc/90/60/83/1066906083.db2.gz MJRJWUOZUXGETO-KIZRIRGWSA-N 1 1 463.667 3.374 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@H](OC)C(C)(C)C ZINC001302311850 1066906301 /nfs/dbraw/zinc/90/63/01/1066906301.db2.gz MJRJWUOZUXGETO-LGGPRVQUSA-N 1 1 463.667 3.374 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CC=CCO2)C[C@@H]1C ZINC001301889228 1066906590 /nfs/dbraw/zinc/90/65/90/1066906590.db2.gz XSJATPZAJCTYAS-RBBKRZOGSA-N 1 1 485.629 3.243 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+](C)C2CCCC2)CC1=O ZINC001301889234 1066906702 /nfs/dbraw/zinc/90/67/02/1066906702.db2.gz YARTXHPRWLPIIJ-UHFFFAOYSA-N 1 1 495.455 3.421 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001301889446 1066907460 /nfs/dbraw/zinc/90/74/60/1066907460.db2.gz YURJIHHDQVTYIH-IBGZPJMESA-N 1 1 475.037 3.158 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)c2ccccn2)C[C@H]1C ZINC001301889557 1066908003 /nfs/dbraw/zinc/90/80/03/1066908003.db2.gz BEIKPPPGOPLXDF-HXUWFJFHSA-N 1 1 464.614 3.483 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCSCC(C)C ZINC001302312709 1066908437 /nfs/dbraw/zinc/90/84/37/1066908437.db2.gz ZGIJSYAILOIUDR-ONTIZHBOSA-N 1 1 481.707 3.081 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001301890920 1066910741 /nfs/dbraw/zinc/91/07/41/1066910741.db2.gz MGPOTSMWZXQNTL-WOJBJXKFSA-N 1 1 472.634 3.263 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC[C@@H]2C)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302314985 1066911477 /nfs/dbraw/zinc/91/14/77/1066911477.db2.gz OBEDGAHYRNGHEH-VJBMBRPKSA-N 1 1 457.619 3.116 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001301892747 1066913445 /nfs/dbraw/zinc/91/34/45/1066913445.db2.gz XAIMZBTWURFPQK-MSOLQXFVSA-N 1 1 478.435 3.149 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CCCCC2)CC1 ZINC001301892710 1066913471 /nfs/dbraw/zinc/91/34/71/1066913471.db2.gz WHFQFOPMOMGBSC-UHFFFAOYSA-N 1 1 478.435 3.171 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001301892976 1066914245 /nfs/dbraw/zinc/91/42/45/1066914245.db2.gz XZOTWXIHWZKCQA-XZOQPEGZSA-N 1 1 454.663 3.470 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001301892976 1066914252 /nfs/dbraw/zinc/91/42/52/1066914252.db2.gz XZOTWXIHWZKCQA-XZOQPEGZSA-N 1 1 454.663 3.470 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301895847 1066916440 /nfs/dbraw/zinc/91/64/40/1066916440.db2.gz ATIHOPQOSUDXGT-SZPZYZBQSA-N 1 1 454.663 3.390 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001301895836 1066916886 /nfs/dbraw/zinc/91/68/86/1066916886.db2.gz APUHISMVAUVOMJ-FGZHOGPDSA-N 1 1 470.662 3.375 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001301895836 1066916895 /nfs/dbraw/zinc/91/68/95/1066916895.db2.gz APUHISMVAUVOMJ-FGZHOGPDSA-N 1 1 470.662 3.375 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301896045 1066918097 /nfs/dbraw/zinc/91/80/97/1066918097.db2.gz DFWCKIYJULLVOZ-NHCUHLMSSA-N 1 1 491.080 3.112 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301896045 1066918101 /nfs/dbraw/zinc/91/81/01/1066918101.db2.gz DFWCKIYJULLVOZ-NHCUHLMSSA-N 1 1 491.080 3.112 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001301896079 1066918238 /nfs/dbraw/zinc/91/82/38/1066918238.db2.gz FCYHSCJQYUWKMB-UHFFFAOYSA-N 1 1 488.633 3.025 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001301896075 1066918256 /nfs/dbraw/zinc/91/82/56/1066918256.db2.gz FADZFBHPEUAHNU-MSOLQXFVSA-N 1 1 484.542 3.125 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001301896435 1066919501 /nfs/dbraw/zinc/91/95/01/1066919501.db2.gz JVFGKMCPIOFSOB-IFMALSPDSA-N 1 1 452.603 3.306 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001301896711 1066920162 /nfs/dbraw/zinc/92/01/62/1066920162.db2.gz WTSPJFRUBLRVAE-FQEVSTJZSA-N 1 1 494.644 3.019 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001301898763 1066923060 /nfs/dbraw/zinc/92/30/60/1066923060.db2.gz OVHGDEUXLLEYCS-INIZCTEOSA-N 1 1 464.492 3.377 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001301898971 1066923599 /nfs/dbraw/zinc/92/35/99/1066923599.db2.gz AJLLINUBSZWGIM-HNNXBMFYSA-N 1 1 478.494 3.410 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001301903290 1066928868 /nfs/dbraw/zinc/92/88/68/1066928868.db2.gz WPGBJLNIBODJKF-RDTXWAMCSA-N 1 1 481.428 3.076 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC001301906809 1066931328 /nfs/dbraw/zinc/93/13/28/1066931328.db2.gz GLLXCAUCICDZJO-IBGZPJMESA-N 1 1 474.650 3.270 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302334500 1066933489 /nfs/dbraw/zinc/93/34/89/1066933489.db2.gz GLVAVKYXHOGETB-KZNAEPCWSA-N 1 1 489.583 3.075 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302334500 1066933500 /nfs/dbraw/zinc/93/35/00/1066933500.db2.gz GLVAVKYXHOGETB-KZNAEPCWSA-N 1 1 489.583 3.075 20 0 JGADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCCOC(F)(F)F ZINC001302335021 1066934211 /nfs/dbraw/zinc/93/42/11/1066934211.db2.gz OVLFSYYZLCVELL-GUDVDZBRSA-N 1 1 489.583 3.424 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(C)ccc2OC)C[C@H]1C ZINC001301911616 1066937540 /nfs/dbraw/zinc/93/75/40/1066937540.db2.gz IEDQHIVKSYMEQJ-NFBKMPQASA-N 1 1 457.619 3.236 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001301911878 1066938289 /nfs/dbraw/zinc/93/82/89/1066938289.db2.gz NMWJLZMRSBZFRO-WOJBJXKFSA-N 1 1 478.682 3.423 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001301912660 1066939870 /nfs/dbraw/zinc/93/98/70/1066939870.db2.gz LWUOMWLZSZUISV-YLJYHZDGSA-N 1 1 482.551 3.333 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCOc2ccccc2C)C[C@H]1C ZINC001301912654 1066939924 /nfs/dbraw/zinc/93/99/24/1066939924.db2.gz LVDZEFPFDBZCSB-YADHBBJMSA-N 1 1 457.619 3.107 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001301913944 1066943187 /nfs/dbraw/zinc/94/31/87/1066943187.db2.gz NSSGMOBLIZUPSR-LUKWVAJMSA-N 1 1 476.710 3.433 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001301914468 1066943817 /nfs/dbraw/zinc/94/38/17/1066943817.db2.gz PZRZOSHJAAAXSH-LJQANCHMSA-N 1 1 454.619 3.294 20 0 JGADMO CC(=O)NCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001301916034 1066945737 /nfs/dbraw/zinc/94/57/37/1066945737.db2.gz HPTJHFCBXGPEGX-INIZCTEOSA-N 1 1 495.455 3.468 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2ccccc2Cl)C[C@H]1C ZINC001301916149 1066946430 /nfs/dbraw/zinc/94/64/30/1066946430.db2.gz VVCOKKBYXGGBIP-ZHRMCQFGSA-N 1 1 478.037 3.238 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001301917795 1066947690 /nfs/dbraw/zinc/94/76/90/1066947690.db2.gz AYNYMWIWOSVTIC-UHFFFAOYSA-N 1 1 460.504 3.099 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001301918022 1066947728 /nfs/dbraw/zinc/94/77/28/1066947728.db2.gz FBRUVYVSJFKRGY-UHFFFAOYSA-N 1 1 479.025 3.437 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001301918359 1066948272 /nfs/dbraw/zinc/94/82/72/1066948272.db2.gz ACNFQJBZSSSMKX-HXUWFJFHSA-N 1 1 458.626 3.039 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301918339 1066948509 /nfs/dbraw/zinc/94/85/09/1066948509.db2.gz IIXCOIFOOUYEAG-GBXCKJPGSA-N 1 1 498.075 3.377 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301918436 1066949156 /nfs/dbraw/zinc/94/91/56/1066949156.db2.gz BUGRBHJKKCYERM-SFTDATJTSA-N 1 1 475.081 3.411 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301918436 1066949165 /nfs/dbraw/zinc/94/91/65/1066949165.db2.gz BUGRBHJKKCYERM-SFTDATJTSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001301918423 1066949197 /nfs/dbraw/zinc/94/91/97/1066949197.db2.gz BPMZVOFVUOSKHX-GOSISDBHSA-N 1 1 493.052 3.204 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2c(F)cccc2Cl)C[C@H]1C ZINC001301918757 1066949844 /nfs/dbraw/zinc/94/98/44/1066949844.db2.gz LVWQCQYOEJUDIV-QGZVFWFLSA-N 1 1 458.969 3.262 20 0 JGADMO CON(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302358898 1066949973 /nfs/dbraw/zinc/94/99/73/1066949973.db2.gz VMGZPXCHDIRPTD-HSZRJFAPSA-N 1 1 469.678 3.008 20 0 JGADMO CON(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302358898 1066949977 /nfs/dbraw/zinc/94/99/77/1066949977.db2.gz VMGZPXCHDIRPTD-HSZRJFAPSA-N 1 1 469.678 3.008 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001301918921 1066950116 /nfs/dbraw/zinc/95/01/16/1066950116.db2.gz FECSOLBJYWHTFC-UHFFFAOYSA-N 1 1 493.052 3.158 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCc2cccc(C)n2)C[C@@H]1C ZINC001301918940 1066950404 /nfs/dbraw/zinc/95/04/04/1066950404.db2.gz FKGJDUHYKQPAMC-FQEVSTJZSA-N 1 1 452.578 3.111 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301919565 1066950740 /nfs/dbraw/zinc/95/07/40/1066950740.db2.gz IHPZYJVNZOYLKL-OAQYLSRUSA-N 1 1 458.626 3.041 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCOc2cccc(Cl)c2)C[C@@H]1C ZINC001301919042 1066950784 /nfs/dbraw/zinc/95/07/84/1066950784.db2.gz OMWDRUUYBPBNQS-IBGZPJMESA-N 1 1 471.005 3.153 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001301919313 1066951510 /nfs/dbraw/zinc/95/15/10/1066951510.db2.gz QFQPURHXUFUIAG-MOPGFXCFSA-N 1 1 452.525 3.326 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCc2c(C)cccc2C)CC1 ZINC001301919721 1066951930 /nfs/dbraw/zinc/95/19/30/1066951930.db2.gz UEEBAUFTUBWCIO-UHFFFAOYSA-N 1 1 454.644 3.262 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(F)F)c2)C[C@H]1C ZINC001301919653 1066952456 /nfs/dbraw/zinc/95/24/56/1066952456.db2.gz SHVGXSXJUBPSOD-GOSISDBHSA-N 1 1 456.541 3.407 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(Cl)cc2F)C[C@H]1C ZINC001301920475 1066953387 /nfs/dbraw/zinc/95/33/87/1066953387.db2.gz YFDJOZRISSUDFL-QGZVFWFLSA-N 1 1 458.969 3.262 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(OC)CCC(C)CC2)CC1 ZINC001301920484 1066953449 /nfs/dbraw/zinc/95/34/49/1066953449.db2.gz NUCGNWOPNZPWSV-UHFFFAOYSA-N 1 1 459.610 3.372 20 0 JGADMO CO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302364687 1066954973 /nfs/dbraw/zinc/95/49/73/1066954973.db2.gz AEBAXAWCBDQEFI-PIPMEXSNSA-N 1 1 454.619 3.493 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001301921542 1066955323 /nfs/dbraw/zinc/95/53/23/1066955323.db2.gz SSUPHKABHFWOQW-JOCHJYFZSA-N 1 1 482.673 3.125 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001302366643 1066955925 /nfs/dbraw/zinc/95/59/25/1066955925.db2.gz FQLMRCRVDNNJRZ-CVEARBPZSA-N 1 1 484.464 3.351 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301922727 1066956363 /nfs/dbraw/zinc/95/63/63/1066956363.db2.gz YNSQDERUFIUWAT-QTJGBDASSA-N 1 1 468.690 3.455 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301922727 1066956367 /nfs/dbraw/zinc/95/63/67/1066956367.db2.gz YNSQDERUFIUWAT-QTJGBDASSA-N 1 1 468.690 3.455 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301924251 1066958023 /nfs/dbraw/zinc/95/80/23/1066958023.db2.gz TUPJEEINKLYFJL-ACRUOGEOSA-N 1 1 460.692 3.208 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301924251 1066958033 /nfs/dbraw/zinc/95/80/33/1066958033.db2.gz TUPJEEINKLYFJL-ACRUOGEOSA-N 1 1 460.692 3.208 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302369575 1066958100 /nfs/dbraw/zinc/95/81/00/1066958100.db2.gz VLSOCQRVJKPEDY-QZTJIDSGSA-N 1 1 496.425 3.309 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCOC[C@H]2C)C[C@@H]1C ZINC001301926840 1066960034 /nfs/dbraw/zinc/96/00/34/1066960034.db2.gz NKJTTWMUQOREDR-GPXNEJASSA-N 1 1 455.647 3.283 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C)s2)C[C@H]1C ZINC001301926427 1066960161 /nfs/dbraw/zinc/96/01/61/1066960161.db2.gz FKUGRYMCXKDPSL-LJQANCHMSA-N 1 1 455.628 3.475 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2c(C)coc2C)C[C@@H]1C ZINC001301927208 1066960604 /nfs/dbraw/zinc/96/06/04/1066960604.db2.gz YXHJNDHXBZAFLM-FQEVSTJZSA-N 1 1 453.587 3.315 20 0 JGADMO CC(C)=CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001302373988 1066960676 /nfs/dbraw/zinc/96/06/76/1066960676.db2.gz QLDRWBFCGGXWBD-DENIHFKCSA-N 1 1 487.048 3.375 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2OCCC2(C)C)C[C@H]1C ZINC001301927300 1066961460 /nfs/dbraw/zinc/96/14/60/1066961460.db2.gz BHJQAUOVXOIBPA-IRLDBZIGSA-N 1 1 457.619 3.138 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001301927309 1066961587 /nfs/dbraw/zinc/96/15/87/1066961587.db2.gz BKJKBKVEVSBXEK-NRFANRHFSA-N 1 1 481.645 3.228 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2OCCC2(C)C)C[C@H]1C ZINC001301927390 1066961996 /nfs/dbraw/zinc/96/19/96/1066961996.db2.gz DVTMNLBBBKNARQ-FYYLOGMGSA-N 1 1 471.646 3.446 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H]2CCOC2)C[C@H]1C ZINC001301927597 1066963433 /nfs/dbraw/zinc/96/34/33/1066963433.db2.gz KDYOASACKIHPHN-YADHBBJMSA-N 1 1 457.619 3.057 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001301928009 1066965156 /nfs/dbraw/zinc/96/51/56/1066965156.db2.gz RHFRZPCGOQCHIQ-FGZHOGPDSA-N 1 1 457.619 3.057 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001301928864 1066965767 /nfs/dbraw/zinc/96/57/67/1066965767.db2.gz DKSKBYSTEUWEEI-RTBURBONSA-N 1 1 482.398 3.371 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1C ZINC001301929010 1066966171 /nfs/dbraw/zinc/96/61/71/1066966171.db2.gz YXPNRDADBKYQHM-GIWBLDEGSA-N 1 1 457.619 3.138 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1C ZINC001301929006 1066966257 /nfs/dbraw/zinc/96/62/57/1066966257.db2.gz YXPNRDADBKYQHM-FUDKSRODSA-N 1 1 457.619 3.138 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[C@H]2OC)C[C@@H]1C ZINC001301929013 1066966415 /nfs/dbraw/zinc/96/64/15/1066966415.db2.gz YXPNRDADBKYQHM-QNWVGRARSA-N 1 1 457.619 3.138 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCCCC2)C[C@@H]1C ZINC001301931153 1066968497 /nfs/dbraw/zinc/96/84/97/1066968497.db2.gz BPIIVXVCNVNGBV-FQEVSTJZSA-N 1 1 489.686 3.431 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2nccs2)C[C@H]1C ZINC001301931548 1066969102 /nfs/dbraw/zinc/96/91/02/1066969102.db2.gz DFJCUBKXRQOLPC-QZTJIDSGSA-N 1 1 474.606 3.413 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001301931606 1066969591 /nfs/dbraw/zinc/96/95/91/1066969591.db2.gz GRYCRVZHMNYTAU-QGZVFWFLSA-N 1 1 488.004 3.416 20 0 JGADMO CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001302388777 1066969810 /nfs/dbraw/zinc/96/98/10/1066969810.db2.gz APCTZBCHUNOZPS-NQIIRXRSSA-N 1 1 477.053 3.323 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](OC)C(C)(C)C)C[C@@H]1C ZINC001301931608 1066969864 /nfs/dbraw/zinc/96/98/64/1066969864.db2.gz GZTYGFWWHCKFSZ-DOIPELPJSA-N 1 1 465.683 3.415 20 0 JGADMO CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001302390646 1066970994 /nfs/dbraw/zinc/97/09/94/1066970994.db2.gz ZTHJCYSNHSBFJX-UHFFFAOYSA-N 1 1 484.620 3.487 20 0 JGADMO CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001302390646 1066971005 /nfs/dbraw/zinc/97/10/05/1066971005.db2.gz ZTHJCYSNHSBFJX-UHFFFAOYSA-N 1 1 484.620 3.487 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC(F)(F)C2)C[C@@H]1C ZINC001301933530 1066973173 /nfs/dbraw/zinc/97/31/73/1066973173.db2.gz OXAXQDNHWCLRHG-RBUKOAKNSA-N 1 1 479.572 3.458 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2c(C)coc2C)C[C@H]1C ZINC001301933604 1066973206 /nfs/dbraw/zinc/97/32/06/1066973206.db2.gz PYKXCBXKJXAHKS-GOSISDBHSA-N 1 1 457.550 3.411 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2c(C)coc2C)C[C@@H]1C ZINC001301933606 1066973282 /nfs/dbraw/zinc/97/32/82/1066973282.db2.gz PYKXCBXKJXAHKS-SFHVURJKSA-N 1 1 457.550 3.411 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001301933522 1066973307 /nfs/dbraw/zinc/97/33/07/1066973307.db2.gz OSVJNUPHGZMUIP-HYBUGGRVSA-N 1 1 459.660 3.198 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cccs2)CC1 ZINC001301933516 1066973464 /nfs/dbraw/zinc/97/34/64/1066973464.db2.gz ONGOYPMZASVTLC-UHFFFAOYSA-N 1 1 459.641 3.457 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nnc(C)s2)C[C@@H]1C ZINC001301934088 1066974318 /nfs/dbraw/zinc/97/43/18/1066974318.db2.gz UNXVAGRGEGUVPQ-KRWDZBQOSA-N 1 1 473.672 3.244 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001301934479 1066974988 /nfs/dbraw/zinc/97/49/88/1066974988.db2.gz ZIFKZPNBFYDOMI-UCNVEGJOSA-N 1 1 474.650 3.374 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001301934422 1066975150 /nfs/dbraw/zinc/97/51/50/1066975150.db2.gz YDPJDUXVPPTIGL-UUOWRZLLSA-N 1 1 489.617 3.122 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001302398901 1066978792 /nfs/dbraw/zinc/97/87/92/1066978792.db2.gz WXYKYRNELQUWDB-JOCHJYFZSA-N 1 1 467.662 3.079 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001301937252 1066980361 /nfs/dbraw/zinc/98/03/61/1066980361.db2.gz KJFHKPJYWURXCS-QTJGBDASSA-N 1 1 482.673 3.434 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(CC(C)C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001301939286 1066984571 /nfs/dbraw/zinc/98/45/71/1066984571.db2.gz AXTONKDSSNXSFE-HXUWFJFHSA-N 1 1 469.659 3.448 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301943746 1066994751 /nfs/dbraw/zinc/99/47/51/1066994751.db2.gz GQKNHDDKMSJEQH-VLCRHTCISA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302417962 1067001773 /nfs/dbraw/zinc/00/17/73/1067001773.db2.gz CJQYRNWNBYEZOS-FNAHDJPLSA-N 1 1 474.694 3.422 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001302418862 1067003089 /nfs/dbraw/zinc/00/30/89/1067003089.db2.gz LLERHCHYNRUWOZ-QHAWAJNXSA-N 1 1 478.037 3.481 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001302421891 1067007998 /nfs/dbraw/zinc/00/79/98/1067007998.db2.gz PUNHQWXVKNRAQX-UHFFFAOYSA-N 1 1 455.651 3.289 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001302422211 1067008683 /nfs/dbraw/zinc/00/86/83/1067008683.db2.gz VFKOCKLQNQNUEV-SFHVURJKSA-N 1 1 475.037 3.060 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001302422211 1067008693 /nfs/dbraw/zinc/00/86/93/1067008693.db2.gz VFKOCKLQNQNUEV-SFHVURJKSA-N 1 1 475.037 3.060 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302431313 1067019057 /nfs/dbraw/zinc/01/90/57/1067019057.db2.gz ITCPVXOSKSNEBU-RBUKOAKNSA-N 1 1 474.053 3.466 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001302432850 1067023039 /nfs/dbraw/zinc/02/30/39/1067023039.db2.gz FQRPQSYMLMKDDL-RPWUZVMVSA-N 1 1 481.689 3.373 20 0 JGADMO C[C@@]1([NH+]2CCOCC2)CCN(c2nnc(CCc3ccccc3)n2CC(F)(F)Br)C1 ZINC001303997669 1067039629 /nfs/dbraw/zinc/03/96/29/1067039629.db2.gz LFBSTKQCUYOLND-HXUWFJFHSA-N 1 1 484.389 3.352 20 0 JGADMO CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001304003180 1067045859 /nfs/dbraw/zinc/04/58/59/1067045859.db2.gz FRSMJOAWSQXZGY-OAQYLSRUSA-N 1 1 489.462 3.500 20 0 JGADMO CC1=C(Br)CN(c2nnc(CC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001304003358 1067046016 /nfs/dbraw/zinc/04/60/16/1067046016.db2.gz IAJXCCZAYVMIPD-UHFFFAOYSA-N 1 1 453.473 3.382 20 0 JGADMO CC1=C(Br)CN(c2nnc(CC(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001304003358 1067046032 /nfs/dbraw/zinc/04/60/32/1067046032.db2.gz IAJXCCZAYVMIPD-UHFFFAOYSA-N 1 1 453.473 3.382 20 0 JGADMO CC1=C(Br)CN(c2nnc(CC(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001304003358 1067046047 /nfs/dbraw/zinc/04/60/47/1067046047.db2.gz IAJXCCZAYVMIPD-UHFFFAOYSA-N 1 1 453.473 3.382 20 0 JGADMO CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001304004114 1067046455 /nfs/dbraw/zinc/04/64/55/1067046455.db2.gz OWZZHMLZDSJUBZ-IBGZPJMESA-N 1 1 481.483 3.425 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001304010246 1067052608 /nfs/dbraw/zinc/05/26/08/1067052608.db2.gz HTUVCNHUDPDIHW-JTHBVZDNSA-N 1 1 495.672 3.289 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1C ZINC001304011479 1067054346 /nfs/dbraw/zinc/05/43/46/1067054346.db2.gz SSBRDYAIDMZUPU-TZIWHRDSSA-N 1 1 495.672 3.326 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001304012127 1067055373 /nfs/dbraw/zinc/05/53/73/1067055373.db2.gz BKTNQZBMYSDRIZ-MJGOQNOKSA-N 1 1 474.631 3.109 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001304012524 1067056050 /nfs/dbraw/zinc/05/60/50/1067056050.db2.gz FRXSDRKJHAWYMH-TZIWHRDSSA-N 1 1 454.619 3.348 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001302458850 1067061933 /nfs/dbraw/zinc/06/19/33/1067061933.db2.gz IXJJUEURGRMHFE-QHCPKHFHSA-N 1 1 467.662 3.269 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@]2(C)CN(C)C2=O)c1C ZINC001304018446 1067062390 /nfs/dbraw/zinc/06/23/90/1067062390.db2.gz KBUOUWUNJCPKNZ-KDYSTLNUSA-N 1 1 498.672 3.060 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@]2(C)CN(C)C2=O)c1C ZINC001304018446 1067062402 /nfs/dbraw/zinc/06/24/02/1067062402.db2.gz KBUOUWUNJCPKNZ-KDYSTLNUSA-N 1 1 498.672 3.060 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304021832 1067065963 /nfs/dbraw/zinc/06/59/63/1067065963.db2.gz UHKMKGSEXMBXJD-UMTXDNHDSA-N 1 1 498.672 3.093 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1C ZINC001304022494 1067066286 /nfs/dbraw/zinc/06/62/86/1067066286.db2.gz WCRHSTITRBEHCS-RTWAWAEBSA-N 1 1 468.646 3.469 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC001304023321 1067068116 /nfs/dbraw/zinc/06/81/16/1067068116.db2.gz LOBRFVUFUCAHFN-MZYLBHOOSA-N 1 1 498.672 3.238 20 0 JGADMO CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302467837 1067071529 /nfs/dbraw/zinc/07/15/29/1067071529.db2.gz CDXHGFMKCVLNAH-QFIPXVFZSA-N 1 1 475.641 3.137 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCn2cc(CO)nn2)c1C ZINC001304026420 1067073691 /nfs/dbraw/zinc/07/36/91/1067073691.db2.gz SDURNJODTWVOBB-JOCHJYFZSA-N 1 1 496.660 3.130 20 0 JGADMO CC(C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001302470008 1067073827 /nfs/dbraw/zinc/07/38/27/1067073827.db2.gz FIDMUBXFEZTNJT-HSZRJFAPSA-N 1 1 452.647 3.494 20 0 JGADMO CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001302471180 1067075167 /nfs/dbraw/zinc/07/51/67/1067075167.db2.gz VPNHGKUOPOBLSV-ICSRJNTNSA-N 1 1 460.648 3.237 20 0 JGADMO CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001304031335 1067079754 /nfs/dbraw/zinc/07/97/54/1067079754.db2.gz FNAMRHDEOPURNT-LJQANCHMSA-N 1 1 452.422 3.382 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCOCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304031987 1067080765 /nfs/dbraw/zinc/08/07/65/1067080765.db2.gz YTXXMFQXDREFJT-FCHUYYIVSA-N 1 1 457.619 3.228 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1C ZINC001304032145 1067081231 /nfs/dbraw/zinc/08/12/31/1067081231.db2.gz ZZIHMNUEJVDJSZ-SIKLNZKXSA-N 1 1 468.646 3.483 20 0 JGADMO CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041951 1067085917 /nfs/dbraw/zinc/08/59/17/1067085917.db2.gz AHZPXPPEXDXUCG-ROUUACIJSA-N 1 1 454.384 3.429 20 0 JGADMO Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCC[C@@H]3C)C2)sc1C ZINC001304045431 1067087967 /nfs/dbraw/zinc/08/79/67/1067087967.db2.gz PQVKQYSPPUZADG-LPHOPBHVSA-N 1 1 459.664 3.358 20 0 JGADMO Cc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)sc1C ZINC001304046236 1067089308 /nfs/dbraw/zinc/08/93/08/1067089308.db2.gz PCSDQUCJGBEKSX-IBGZPJMESA-N 1 1 459.664 3.102 20 0 JGADMO CC(C)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001302489559 1067090457 /nfs/dbraw/zinc/09/04/57/1067090457.db2.gz ZZCYRTZHGGXMDS-JTHBVZDNSA-N 1 1 471.646 3.374 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001302494990 1067093870 /nfs/dbraw/zinc/09/38/70/1067093870.db2.gz CAQGKIFNJZFCSP-BWKNWUBXSA-N 1 1 459.610 3.431 20 0 JGADMO CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001302494999 1067094187 /nfs/dbraw/zinc/09/41/87/1067094187.db2.gz CAQGKIFNJZFCSP-PXDATVDWSA-N 1 1 459.610 3.431 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302498478 1067096900 /nfs/dbraw/zinc/09/69/00/1067096900.db2.gz SSWGWNAEGASZOV-GBXCKJPGSA-N 1 1 462.038 3.088 20 0 JGADMO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001304057278 1067097819 /nfs/dbraw/zinc/09/78/19/1067097819.db2.gz MAEQCFAGOBZYRB-QGZVFWFLSA-N 1 1 467.643 3.384 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302510588 1067118806 /nfs/dbraw/zinc/11/88/06/1067118806.db2.gz MJYJGBCHCPQWNR-XJUOHMSHSA-N 1 1 474.694 3.280 20 0 JGADMO C[S@@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001302511426 1067121788 /nfs/dbraw/zinc/12/17/88/1067121788.db2.gz SJMCTXHHWRMIDK-ULKXQASOSA-N 1 1 473.687 3.095 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302511498 1067122422 /nfs/dbraw/zinc/12/24/22/1067122422.db2.gz UBOCQNBOFZKAFN-NRFANRHFSA-N 1 1 474.694 3.110 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304077652 1067123145 /nfs/dbraw/zinc/12/31/45/1067123145.db2.gz GZMCCMBMESBYRV-AWEZNQCLSA-N 1 1 494.463 3.168 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304077652 1067123148 /nfs/dbraw/zinc/12/31/48/1067123148.db2.gz GZMCCMBMESBYRV-AWEZNQCLSA-N 1 1 494.463 3.168 20 0 JGADMO CSC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302511826 1067123618 /nfs/dbraw/zinc/12/36/18/1067123618.db2.gz AVRWXQSLIAUWMK-QGZVFWFLSA-N 1 1 466.449 3.370 20 0 JGADMO CSC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302511826 1067123620 /nfs/dbraw/zinc/12/36/20/1067123620.db2.gz AVRWXQSLIAUWMK-QGZVFWFLSA-N 1 1 466.449 3.370 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCCC(C)(C)C2)cnn1C ZINC001304078872 1067123782 /nfs/dbraw/zinc/12/37/82/1067123782.db2.gz RWUZHNPDAIWVCD-UHFFFAOYSA-N 1 1 499.685 3.149 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C(C)C)[NH+]1CCOCC1 ZINC001302514682 1067131305 /nfs/dbraw/zinc/13/13/05/1067131305.db2.gz FIDPXOJUPRQSAS-VXKWHMMOSA-N 1 1 472.609 3.140 20 0 JGADMO CC(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C(C)C)[NH+]1CCOCC1 ZINC001302514678 1067131366 /nfs/dbraw/zinc/13/13/66/1067131366.db2.gz FIDPXOJUPRQSAS-FCHUYYIVSA-N 1 1 472.609 3.140 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001302514639 1067131399 /nfs/dbraw/zinc/13/13/99/1067131399.db2.gz REFRPESPYZYMPM-INIZCTEOSA-N 1 1 484.464 3.353 20 0 JGADMO CC(C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302515666 1067134484 /nfs/dbraw/zinc/13/44/84/1067134484.db2.gz LXMPYGIHLDGDJV-NHCUHLMSSA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001302517701 1067136994 /nfs/dbraw/zinc/13/69/94/1067136994.db2.gz AYSJXUCJIRROPD-HFZDXXHNSA-N 1 1 499.660 3.190 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)cnn1C ZINC001304098685 1067141754 /nfs/dbraw/zinc/14/17/54/1067141754.db2.gz SAIRFZCMZKCOKQ-LJQANCHMSA-N 1 1 485.608 3.175 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[NH+]1CCOCC1 ZINC001302523368 1067143920 /nfs/dbraw/zinc/14/39/20/1067143920.db2.gz JCKURAAPUTYYGJ-DKMHWAAKSA-N 1 1 489.686 3.250 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302523941 1067145064 /nfs/dbraw/zinc/14/50/64/1067145064.db2.gz MGDROEXYNSBCCH-VQTJNVASSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cscn1)[NH+]1CCOCC1 ZINC001302524303 1067146126 /nfs/dbraw/zinc/14/61/26/1067146126.db2.gz FHWHSRDBBBXESB-NRFANRHFSA-N 1 1 458.607 3.458 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302525241 1067147312 /nfs/dbraw/zinc/14/73/12/1067147312.db2.gz LYCADPPLIGCNJB-FCHUYYIVSA-N 1 1 483.661 3.488 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302525276 1067147847 /nfs/dbraw/zinc/14/78/47/1067147847.db2.gz RKOJSWVFCJSQBA-PMACEKPBSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC=C(Br)C1)[NH+]1CCOCC1 ZINC001302525503 1067147961 /nfs/dbraw/zinc/14/79/61/1067147961.db2.gz NHFMASFGVHDVKN-FQEVSTJZSA-N 1 1 475.435 3.110 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC=C(Br)C1)[NH+]1CCOCC1 ZINC001302525505 1067147968 /nfs/dbraw/zinc/14/79/68/1067147968.db2.gz NHFMASFGVHDVKN-HXUWFJFHSA-N 1 1 475.435 3.110 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](C(C)C)CC1)N1CCOCC1 ZINC001302525603 1067148619 /nfs/dbraw/zinc/14/86/19/1067148619.db2.gz ONGLUGQWTMSKSO-DEOSSOPVSA-N 1 1 472.653 3.285 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001302526572 1067151799 /nfs/dbraw/zinc/15/17/99/1067151799.db2.gz WHAQPBFVVBTJND-APWZRJJASA-N 1 1 458.434 3.428 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001302526574 1067151830 /nfs/dbraw/zinc/15/18/30/1067151830.db2.gz WHAQPBFVVBTJND-QFBILLFUSA-N 1 1 458.434 3.428 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302527155 1067153113 /nfs/dbraw/zinc/15/31/13/1067153113.db2.gz ZBWPABULKIIFKN-NRFANRHFSA-N 1 1 498.569 3.049 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302527919 1067155452 /nfs/dbraw/zinc/15/54/52/1067155452.db2.gz FWRSUNJFQCHWEZ-LEWJYISDSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302527919 1067155458 /nfs/dbraw/zinc/15/54/58/1067155458.db2.gz FWRSUNJFQCHWEZ-LEWJYISDSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccco1)[NH+]1CCOCC1 ZINC001302528640 1067156612 /nfs/dbraw/zinc/15/66/12/1067156612.db2.gz KPBJRSMQYPCNGA-RTBURBONSA-N 1 1 486.642 3.417 20 0 JGADMO CC(C)[C@@H](Cn1c(N2CCC([C@](C)(O)C(F)(F)F)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001302529477 1067159134 /nfs/dbraw/zinc/15/91/34/1067159134.db2.gz YGNMUIGABSVXKE-GCJKJVERSA-N 1 1 475.600 3.462 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001302531665 1067160557 /nfs/dbraw/zinc/16/05/57/1067160557.db2.gz NKSIBJOTHUZSOQ-GMKZXUHWSA-N 1 1 498.672 3.142 20 0 JGADMO CSC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001302531466 1067160591 /nfs/dbraw/zinc/16/05/91/1067160591.db2.gz QICFBDFELDYMNN-FQEVSTJZSA-N 1 1 491.105 3.407 20 0 JGADMO CSC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302534950 1067164494 /nfs/dbraw/zinc/16/44/94/1067164494.db2.gz QYXRFHIOQVTGQC-QGZVFWFLSA-N 1 1 496.475 3.282 20 0 JGADMO CSC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302534950 1067164501 /nfs/dbraw/zinc/16/45/01/1067164501.db2.gz QYXRFHIOQVTGQC-QGZVFWFLSA-N 1 1 496.475 3.282 20 0 JGADMO Cc1ccsc1Cn1c(N(C)CC[N@@H+]2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304126667 1067165089 /nfs/dbraw/zinc/16/50/89/1067165089.db2.gz SNBJROZUHRRAQJ-XMMPIXPASA-N 1 1 477.675 3.284 20 0 JGADMO Cc1ccsc1Cn1c(N(C)CC[N@H+]2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304126667 1067165091 /nfs/dbraw/zinc/16/50/91/1067165091.db2.gz SNBJROZUHRRAQJ-XMMPIXPASA-N 1 1 477.675 3.284 20 0 JGADMO Cc1c(Cn2c(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001304126833 1067165138 /nfs/dbraw/zinc/16/51/38/1067165138.db2.gz VIUMXKCIDMUVJB-UHFFFAOYSA-N 1 1 467.666 3.231 20 0 JGADMO Cc1nnsc1Cn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304126918 1067165608 /nfs/dbraw/zinc/16/56/08/1067165608.db2.gz YCIWQHKXWVGGBN-HSZRJFAPSA-N 1 1 477.679 3.084 20 0 JGADMO Cc1c(Cl)cccc1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304129840 1067168175 /nfs/dbraw/zinc/16/81/75/1067168175.db2.gz JZNFCRAANXVICW-UHFFFAOYSA-N 1 1 472.037 3.483 20 0 JGADMO CS[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302537085 1067169203 /nfs/dbraw/zinc/16/92/03/1067169203.db2.gz VPPNZZTWVMPQIC-PMACEKPBSA-N 1 1 456.660 3.366 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001304133859 1067172495 /nfs/dbraw/zinc/17/24/95/1067172495.db2.gz OSIJEHNUFCRXLG-NRFANRHFSA-N 1 1 483.661 3.228 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001304133954 1067172569 /nfs/dbraw/zinc/17/25/69/1067172569.db2.gz RXPLQCYLQYDCLB-FQEVSTJZSA-N 1 1 493.612 3.102 20 0 JGADMO COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001304136443 1067174909 /nfs/dbraw/zinc/17/49/09/1067174909.db2.gz ZSLXKUWYRDBIMA-CLOONOSVSA-N 1 1 452.530 3.136 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001304136815 1067176103 /nfs/dbraw/zinc/17/61/03/1067176103.db2.gz YTTFFWYHPGWTGS-UHFFFAOYSA-N 1 1 456.635 3.279 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001304136815 1067176106 /nfs/dbraw/zinc/17/61/06/1067176106.db2.gz YTTFFWYHPGWTGS-UHFFFAOYSA-N 1 1 456.635 3.279 20 0 JGADMO CC(C)c1nc([C@@H]2CCCN(c3nnc(-c4cnccn4)n3CCC[N@H+](C)C(C)C)C2)no1 ZINC001302545553 1067179461 /nfs/dbraw/zinc/17/94/61/1067179461.db2.gz OLLSPBCKGHHXHW-GOSISDBHSA-N 1 1 453.595 3.356 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304140875 1067182252 /nfs/dbraw/zinc/18/22/52/1067182252.db2.gz OCHRERHTFCYCSB-RGKFVRLKSA-N 1 1 478.037 3.369 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CC2)c(C)o1 ZINC001304146303 1067189583 /nfs/dbraw/zinc/18/95/83/1067189583.db2.gz AZQMRMKOLKBHMP-UHFFFAOYSA-N 1 1 499.704 3.111 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)CC2)c(C)o1 ZINC001304146303 1067189591 /nfs/dbraw/zinc/18/95/91/1067189591.db2.gz AZQMRMKOLKBHMP-UHFFFAOYSA-N 1 1 499.704 3.111 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)CC2)c(C)o1 ZINC001304146303 1067189595 /nfs/dbraw/zinc/18/95/95/1067189595.db2.gz AZQMRMKOLKBHMP-UHFFFAOYSA-N 1 1 499.704 3.111 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302560523 1067201011 /nfs/dbraw/zinc/20/10/11/1067201011.db2.gz ADDXYBRCUJHYTA-FXAWDEMLSA-N 1 1 462.664 3.367 20 0 JGADMO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302560529 1067201278 /nfs/dbraw/zinc/20/12/78/1067201278.db2.gz ADDXYBRCUJHYTA-YLJYHZDGSA-N 1 1 462.664 3.367 20 0 JGADMO CC(C)c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001302563617 1067203312 /nfs/dbraw/zinc/20/33/12/1067203312.db2.gz SSHOVKBCKIQATR-QZTJIDSGSA-N 1 1 457.710 3.021 20 0 JGADMO CS[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001302565382 1067204307 /nfs/dbraw/zinc/20/43/07/1067204307.db2.gz ZKDYTKWVZLJKME-SFHVURJKSA-N 1 1 457.623 3.205 20 0 JGADMO CS[C@H](C)Cn1c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001302570095 1067209192 /nfs/dbraw/zinc/20/91/92/1067209192.db2.gz PSJNHYDLHVRHSX-PWHSHALESA-N 1 1 451.681 3.381 20 0 JGADMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)ccc2OC)cc1 ZINC001302571207 1067210800 /nfs/dbraw/zinc/21/08/00/1067210800.db2.gz UBMKPHKRYJFLJD-FPOVZHCZSA-N 1 1 457.596 3.225 20 0 JGADMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)ccc2OC)cc1 ZINC001302571207 1067210807 /nfs/dbraw/zinc/21/08/07/1067210807.db2.gz UBMKPHKRYJFLJD-FPOVZHCZSA-N 1 1 457.596 3.225 20 0 JGADMO C[N@H+]1CC[C@H]2CN(C(=O)C[C@@H](Cc3cc(F)c(F)cc3F)NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC001302574628 1067213610 /nfs/dbraw/zinc/21/36/10/1067213610.db2.gz NNHPGGUKNFGZPK-NBQZKYEYSA-N 1 1 455.521 3.482 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001304167806 1067214264 /nfs/dbraw/zinc/21/42/64/1067214264.db2.gz SRLNMWUBFMSZOE-IRLDBZIGSA-N 1 1 491.702 3.464 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304167806 1067214271 /nfs/dbraw/zinc/21/42/71/1067214271.db2.gz SRLNMWUBFMSZOE-IRLDBZIGSA-N 1 1 491.702 3.464 20 0 JGADMO CS[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC001302577388 1067215165 /nfs/dbraw/zinc/21/51/65/1067215165.db2.gz BIOMJJQUVWWGKK-WCIQWLHISA-N 1 1 453.697 3.495 20 0 JGADMO CS[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC001302577388 1067215171 /nfs/dbraw/zinc/21/51/71/1067215171.db2.gz BIOMJJQUVWWGKK-WCIQWLHISA-N 1 1 453.697 3.495 20 0 JGADMO CS[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001302580628 1067218772 /nfs/dbraw/zinc/21/87/72/1067218772.db2.gz NWJUBEGQAOGYIM-VAMGGRTRSA-N 1 1 451.681 3.456 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001304171582 1067219620 /nfs/dbraw/zinc/21/96/20/1067219620.db2.gz SAUKTWHQHZMJMX-FGZHOGPDSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001304176445 1067225717 /nfs/dbraw/zinc/22/57/17/1067225717.db2.gz IREYMMCPBHMESW-NRFANRHFSA-N 1 1 465.602 3.161 20 0 JGADMO Cc1c(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc(Br)cc1S(N)(=O)=O ZINC001304177357 1067226055 /nfs/dbraw/zinc/22/60/55/1067226055.db2.gz WGOITNISANOENP-UHFFFAOYSA-N 1 1 453.362 3.043 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCNC(=O)c2ccco2)c1 ZINC001304178651 1067228166 /nfs/dbraw/zinc/22/81/66/1067228166.db2.gz LATXRMPIZXERRQ-UHFFFAOYSA-N 1 1 480.613 3.417 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CC[N@H+](C)C(C)C)c1 ZINC001304179344 1067228704 /nfs/dbraw/zinc/22/87/04/1067228704.db2.gz ULUFTAMQPCKCNW-OAQYLSRUSA-N 1 1 452.607 3.284 20 0 JGADMO CC(C)c1nnc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302593578 1067231683 /nfs/dbraw/zinc/23/16/83/1067231683.db2.gz QAWIJUMZQATYOS-XMMPIXPASA-N 1 1 456.566 3.331 20 0 JGADMO Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001304192249 1067243227 /nfs/dbraw/zinc/24/32/27/1067243227.db2.gz NZPYFMUGQRZKCB-AZUAARDMSA-N 1 1 484.670 3.403 20 0 JGADMO Cc1cc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304194687 1067244117 /nfs/dbraw/zinc/24/41/17/1067244117.db2.gz BEJAJXKXPNCFGP-LJQANCHMSA-N 1 1 470.643 3.155 20 0 JGADMO Cc1cccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304198805 1067248755 /nfs/dbraw/zinc/24/87/55/1067248755.db2.gz XDEAAPSQJBSKQZ-OYRHEFFESA-N 1 1 477.613 3.370 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302615138 1067249110 /nfs/dbraw/zinc/24/91/10/1067249110.db2.gz VCVYWPVPAZUIOZ-RTBURBONSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302615138 1067249114 /nfs/dbraw/zinc/24/91/14/1067249114.db2.gz VCVYWPVPAZUIOZ-RTBURBONSA-N 1 1 464.655 3.252 20 0 JGADMO Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304206451 1067252412 /nfs/dbraw/zinc/25/24/12/1067252412.db2.gz WRXMBHPFBJDXPW-QHCPKHFHSA-N 1 1 461.614 3.228 20 0 JGADMO Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)no1 ZINC001304207755 1067252825 /nfs/dbraw/zinc/25/28/25/1067252825.db2.gz CMKUYTCCRZIVSN-HSZRJFAPSA-N 1 1 452.603 3.467 20 0 JGADMO Cc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001304211176 1067255079 /nfs/dbraw/zinc/25/50/79/1067255079.db2.gz LZAAARNUHQQBSY-YZIHRLCOSA-N 1 1 484.645 3.060 20 0 JGADMO CC(C)c1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CCN1CCOC[C@H]1C ZINC001302627020 1067257426 /nfs/dbraw/zinc/25/74/26/1067257426.db2.gz CQWOXIBIVLAYCC-JOCHJYFZSA-N 1 1 454.663 3.471 20 0 JGADMO CC(C)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001302628180 1067258385 /nfs/dbraw/zinc/25/83/85/1067258385.db2.gz KRMVKSNUFCLIRY-VXKWHMMOSA-N 1 1 476.616 3.468 20 0 JGADMO CC(C)c1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302628795 1067259049 /nfs/dbraw/zinc/25/90/49/1067259049.db2.gz ROSMKQKXCJSZTC-UHFFFAOYSA-N 1 1 482.717 3.497 20 0 JGADMO CC(C)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001302629259 1067259498 /nfs/dbraw/zinc/25/94/98/1067259498.db2.gz NSGDDKGDNOLTCQ-DEOSSOPVSA-N 1 1 464.724 3.166 20 0 JGADMO CC(C)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@]1(N2CCOCC2)CCSC1 ZINC001302629260 1067259544 /nfs/dbraw/zinc/25/95/44/1067259544.db2.gz NSGDDKGDNOLTCQ-XMMPIXPASA-N 1 1 464.724 3.166 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001302629753 1067260048 /nfs/dbraw/zinc/26/00/48/1067260048.db2.gz XBGJWKHIPMFOKJ-CQSZACIVSA-N 1 1 475.947 3.014 20 0 JGADMO Cc1cc(Cn2c(CC(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cs1 ZINC001304221490 1067261763 /nfs/dbraw/zinc/26/17/63/1067261763.db2.gz JNGNOFXQABYGAH-JOCHJYFZSA-N 1 1 460.692 3.126 20 0 JGADMO CC(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001302635067 1067264543 /nfs/dbraw/zinc/26/45/43/1067264543.db2.gz OSWVRDSUSXDKIW-FQEVSTJZSA-N 1 1 481.563 3.300 20 0 JGADMO CC(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001302635068 1067264567 /nfs/dbraw/zinc/26/45/67/1067264567.db2.gz OSWVRDSUSXDKIW-HXUWFJFHSA-N 1 1 481.563 3.300 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)O ZINC001304230628 1067267542 /nfs/dbraw/zinc/26/75/42/1067267542.db2.gz DZMMZOPNRSXURI-VWLOTQADSA-N 1 1 492.064 3.323 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CC(=O)N(C)C ZINC001304231405 1067268485 /nfs/dbraw/zinc/26/84/85/1067268485.db2.gz JAEKQDJZIULFNE-QUCCMNQESA-N 1 1 475.037 3.013 20 0 JGADMO Cc1cc(F)ccc1CCn1c([C@H]2CCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304236445 1067274538 /nfs/dbraw/zinc/27/45/38/1067274538.db2.gz FTAIRRLAUZRAGC-NRFANRHFSA-N 1 1 459.610 3.267 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001302651784 1067278480 /nfs/dbraw/zinc/27/84/80/1067278480.db2.gz DQSPJIAYGPDRCS-RTWAWAEBSA-N 1 1 468.712 3.164 20 0 JGADMO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)CC2)nc(C(C)C)n1 ZINC001304245062 1067280233 /nfs/dbraw/zinc/28/02/33/1067280233.db2.gz FQYTYPKTZFOTCW-JOCHJYFZSA-N 1 1 484.693 3.187 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302654321 1067281979 /nfs/dbraw/zinc/28/19/79/1067281979.db2.gz GQGIHLPCBFTRFG-DHIUTWEWSA-N 1 1 482.673 3.148 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(-c3cccn3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304249206 1067284266 /nfs/dbraw/zinc/28/42/66/1067284266.db2.gz DTMCOVBHDAKUOB-QHCPKHFHSA-N 1 1 466.630 3.464 20 0 JGADMO CSc1ccccc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302658691 1067286156 /nfs/dbraw/zinc/28/61/56/1067286156.db2.gz OFOHXJRBBKLLOP-FXAWDEMLSA-N 1 1 494.731 3.367 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302661206 1067288564 /nfs/dbraw/zinc/28/85/64/1067288564.db2.gz SFRPMCVTHPTBFV-RTWAWAEBSA-N 1 1 480.723 3.353 20 0 JGADMO Cc1cccc(O[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304254448 1067289570 /nfs/dbraw/zinc/28/95/70/1067289570.db2.gz RZXXWCQSGNVFDN-GSPCLOLRSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1cccc(O[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304254448 1067289577 /nfs/dbraw/zinc/28/95/77/1067289577.db2.gz RZXXWCQSGNVFDN-GSPCLOLRSA-N 1 1 471.646 3.493 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001302663466 1067290006 /nfs/dbraw/zinc/29/00/06/1067290006.db2.gz LFWNAHLSHINKOP-JOCHJYFZSA-N 1 1 486.686 3.019 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302667701 1067294808 /nfs/dbraw/zinc/29/48/08/1067294808.db2.gz YPTQANZKUVBKET-HSALFYBXSA-N 1 1 486.752 3.122 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302667722 1067295190 /nfs/dbraw/zinc/29/51/90/1067295190.db2.gz YSZMBLKNTKLWSU-XTQVGHSUSA-N 1 1 463.623 3.346 20 0 JGADMO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CC2)s1 ZINC001304260377 1067295530 /nfs/dbraw/zinc/29/55/30/1067295530.db2.gz RSWBUHAHJOFPSS-UHFFFAOYSA-N 1 1 487.718 3.196 20 0 JGADMO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)CC2)s1 ZINC001304260377 1067295536 /nfs/dbraw/zinc/29/55/36/1067295536.db2.gz RSWBUHAHJOFPSS-UHFFFAOYSA-N 1 1 487.718 3.196 20 0 JGADMO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)CC2)s1 ZINC001304260377 1067295545 /nfs/dbraw/zinc/29/55/45/1067295545.db2.gz RSWBUHAHJOFPSS-UHFFFAOYSA-N 1 1 487.718 3.196 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(-c3cccn3C)nnc2N2CCC[N@H+](C(C)C)CC2)cc1F ZINC001304262216 1067297058 /nfs/dbraw/zinc/29/70/58/1067297058.db2.gz IZIQSDXSGGJDMH-UHFFFAOYSA-N 1 1 467.593 3.082 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001304268131 1067301005 /nfs/dbraw/zinc/30/10/05/1067301005.db2.gz FUYIMVGPYFDNIW-AREMUKBSSA-N 1 1 464.614 3.387 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302678550 1067304480 /nfs/dbraw/zinc/30/44/80/1067304480.db2.gz OKOAVDPOHPNYCW-FGZHOGPDSA-N 1 1 458.676 3.223 20 0 JGADMO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302679334 1067305218 /nfs/dbraw/zinc/30/52/18/1067305218.db2.gz KBKVFLWLUMOMKZ-FCHUYYIVSA-N 1 1 473.710 3.091 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304270749 1067305620 /nfs/dbraw/zinc/30/56/20/1067305620.db2.gz FCLCJYLZSDFCOX-HSZRJFAPSA-N 1 1 498.672 3.068 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001302688568 1067313109 /nfs/dbraw/zinc/31/31/09/1067313109.db2.gz AWOLBFCYNSVFLI-PKTZIBPZSA-N 1 1 473.710 3.189 20 0 JGADMO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC001304275960 1067313598 /nfs/dbraw/zinc/31/35/98/1067313598.db2.gz QXJSWXKNEZIHSG-IPJJNNNSSA-N 1 1 470.643 3.209 20 0 JGADMO CSCc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001302689378 1067313915 /nfs/dbraw/zinc/31/39/15/1067313915.db2.gz LJSJCDWGQFAUFT-NRFANRHFSA-N 1 1 491.727 3.402 20 0 JGADMO Cc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)CCCS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC001304278178 1067317684 /nfs/dbraw/zinc/31/76/84/1067317684.db2.gz LMXUMFRYWJEJBT-FGZHOGPDSA-N 1 1 475.659 3.146 20 0 JGADMO Cc1ccc(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccco3)[NH+](C)C)CC2)c1 ZINC001304278847 1067319379 /nfs/dbraw/zinc/31/93/79/1067319379.db2.gz XELNRLUAVOXHIW-JOCHJYFZSA-N 1 1 479.629 3.256 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302695012 1067320468 /nfs/dbraw/zinc/32/04/68/1067320468.db2.gz DDAMICGCFORKOX-YWZLYKJASA-N 1 1 484.439 3.245 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccon3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001304281820 1067322653 /nfs/dbraw/zinc/32/26/53/1067322653.db2.gz IWLBOAWLIPCBMJ-UHFFFAOYSA-N 1 1 454.575 3.209 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccon3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001304281820 1067322664 /nfs/dbraw/zinc/32/26/64/1067322664.db2.gz IWLBOAWLIPCBMJ-UHFFFAOYSA-N 1 1 454.575 3.209 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302697853 1067323358 /nfs/dbraw/zinc/32/33/58/1067323358.db2.gz BJAYRMQFHGXEGZ-CTNGQTDRSA-N 1 1 479.572 3.428 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302698431 1067323940 /nfs/dbraw/zinc/32/39/40/1067323940.db2.gz WZTVTQXAUVSPIS-DOTOQJQBSA-N 1 1 483.480 3.099 20 0 JGADMO CC(C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001302699304 1067324532 /nfs/dbraw/zinc/32/45/32/1067324532.db2.gz PVKWGDBTACICES-ROKPMTFOSA-N 1 1 460.692 3.366 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302704766 1067327205 /nfs/dbraw/zinc/32/72/05/1067327205.db2.gz NNRBRLJARANMMM-RXVVDRJESA-N 1 1 454.402 3.353 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001304286271 1067328120 /nfs/dbraw/zinc/32/81/20/1067328120.db2.gz BQXZJINBLSHYMC-CVDCTZTESA-N 1 1 497.562 3.088 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001302706749 1067328740 /nfs/dbraw/zinc/32/87/40/1067328740.db2.gz MWBAASAFJZWAFU-ACRUOGEOSA-N 1 1 477.700 3.123 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001302706751 1067328783 /nfs/dbraw/zinc/32/87/83/1067328783.db2.gz MWBAASAFJZWAFU-PCCBWWKXSA-N 1 1 477.700 3.123 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302708178 1067329602 /nfs/dbraw/zinc/32/96/02/1067329602.db2.gz VRZUJCCRVFQIQA-BVSLBCMMSA-N 1 1 491.727 3.423 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302711989 1067332978 /nfs/dbraw/zinc/33/29/78/1067332978.db2.gz JPLCEEDWSPIWHR-JTHBVZDNSA-N 1 1 451.619 3.414 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001302712663 1067333218 /nfs/dbraw/zinc/33/32/18/1067333218.db2.gz PLGXZNBGONWMRY-IRXDYDNUSA-N 1 1 454.604 3.277 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001302712662 1067333243 /nfs/dbraw/zinc/33/32/43/1067333243.db2.gz PLGXZNBGONWMRY-IAGOWNOFSA-N 1 1 454.604 3.277 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304289358 1067334518 /nfs/dbraw/zinc/33/45/18/1067334518.db2.gz RMUQIEHDRBUSBB-OAQYLSRUSA-N 1 1 457.619 3.200 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302715584 1067334591 /nfs/dbraw/zinc/33/45/91/1067334591.db2.gz YQWBMLVGDKYAOK-XMMPIXPASA-N 1 1 454.663 3.123 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304290240 1067336763 /nfs/dbraw/zinc/33/67/63/1067336763.db2.gz BNYZRDRESAONLU-HXUWFJFHSA-N 1 1 497.562 3.352 20 0 JGADMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1S(=O)(=O)NC(C)(C)C ZINC001302721171 1067336823 /nfs/dbraw/zinc/33/68/23/1067336823.db2.gz BYLHLVCAYPVARH-HXUWFJFHSA-N 1 1 459.612 3.085 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001304292945 1067342339 /nfs/dbraw/zinc/34/23/39/1067342339.db2.gz YMGZPYRPFCGBJE-SFHVURJKSA-N 1 1 485.576 3.290 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001304292945 1067342351 /nfs/dbraw/zinc/34/23/51/1067342351.db2.gz YMGZPYRPFCGBJE-SFHVURJKSA-N 1 1 485.576 3.290 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001302727849 1067343691 /nfs/dbraw/zinc/34/36/91/1067343691.db2.gz UKHLDRGGRKZZQQ-NNWRFLSQSA-N 1 1 491.727 3.423 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302727849 1067343701 /nfs/dbraw/zinc/34/37/01/1067343701.db2.gz UKHLDRGGRKZZQQ-NNWRFLSQSA-N 1 1 491.727 3.423 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001302727847 1067343934 /nfs/dbraw/zinc/34/39/34/1067343934.db2.gz UKHLDRGGRKZZQQ-ILWGZMRPSA-N 1 1 491.727 3.423 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302727847 1067343940 /nfs/dbraw/zinc/34/39/40/1067343940.db2.gz UKHLDRGGRKZZQQ-ILWGZMRPSA-N 1 1 491.727 3.423 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001304295101 1067344202 /nfs/dbraw/zinc/34/42/02/1067344202.db2.gz XWKROLNCWSCSRJ-FGTMMUONSA-N 1 1 451.637 3.084 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001304295542 1067344580 /nfs/dbraw/zinc/34/45/80/1067344580.db2.gz DOCVMCXTZKLOCT-RWQQGDIJSA-N 1 1 451.637 3.225 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001304295538 1067344679 /nfs/dbraw/zinc/34/46/79/1067344679.db2.gz DOCVMCXTZKLOCT-DKKFBQAASA-N 1 1 451.637 3.225 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001304295409 1067344740 /nfs/dbraw/zinc/34/47/40/1067344740.db2.gz FUTFQSQDLBXXJX-UHFFFAOYSA-N 1 1 465.440 3.317 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2(C(=O)N(C)C)CCCC2)o1 ZINC001304296016 1067345296 /nfs/dbraw/zinc/34/52/96/1067345296.db2.gz MYVSBHBJTWXGTO-UHFFFAOYSA-N 1 1 486.661 3.290 20 0 JGADMO CC(C)[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302732536 1067346864 /nfs/dbraw/zinc/34/68/64/1067346864.db2.gz WFZMTWCIABXYCO-LVXARBLLSA-N 1 1 490.693 3.332 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC001304301281 1067349780 /nfs/dbraw/zinc/34/97/80/1067349780.db2.gz SWLRRWXAJUUORZ-NRFANRHFSA-N 1 1 460.376 3.312 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CCN3CCOCC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001304304465 1067352289 /nfs/dbraw/zinc/35/22/89/1067352289.db2.gz MMZZEKSDAMUBMI-BGYRXZFFSA-N 1 1 458.651 3.371 20 0 JGADMO CSCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001302743523 1067353039 /nfs/dbraw/zinc/35/30/39/1067353039.db2.gz WNRIYLWTGRKZOL-UHFFFAOYSA-N 1 1 491.750 3.042 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)o1 ZINC001304310908 1067358534 /nfs/dbraw/zinc/35/85/34/1067358534.db2.gz JDMCHPZMHCBJMZ-UHFFFAOYSA-N 1 1 456.513 3.082 20 0 JGADMO CSCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001302753627 1067358941 /nfs/dbraw/zinc/35/89/41/1067358941.db2.gz KXLFSUZGAPDFTF-OAQYLSRUSA-N 1 1 497.507 3.490 20 0 JGADMO CSCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302754247 1067359262 /nfs/dbraw/zinc/35/92/62/1067359262.db2.gz SJSVZFAYYOBIAJ-AWEZNQCLSA-N 1 1 472.478 3.433 20 0 JGADMO CSCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302754247 1067359273 /nfs/dbraw/zinc/35/92/73/1067359273.db2.gz SJSVZFAYYOBIAJ-AWEZNQCLSA-N 1 1 472.478 3.433 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1Br ZINC001304316412 1067363890 /nfs/dbraw/zinc/36/38/90/1067363890.db2.gz AOBXGWGBIRWIJW-HSZRJFAPSA-N 1 1 489.462 3.415 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)o1 ZINC001304316291 1067364065 /nfs/dbraw/zinc/36/40/65/1067364065.db2.gz KPYQQEAHJIXGRM-VQTJNVASSA-N 1 1 488.633 3.187 20 0 JGADMO Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304316805 1067364244 /nfs/dbraw/zinc/36/42/44/1067364244.db2.gz DQVQJJIYXZNROL-OYRHEFFESA-N 1 1 486.661 3.429 20 0 JGADMO CC(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001302764396 1067364748 /nfs/dbraw/zinc/36/47/48/1067364748.db2.gz UEUAQQHQLQDICI-UHFFFAOYSA-N 1 1 487.718 3.168 20 0 JGADMO CC(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001302764396 1067364760 /nfs/dbraw/zinc/36/47/60/1067364760.db2.gz UEUAQQHQLQDICI-UHFFFAOYSA-N 1 1 487.718 3.168 20 0 JGADMO CC(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001302764396 1067364771 /nfs/dbraw/zinc/36/47/71/1067364771.db2.gz UEUAQQHQLQDICI-UHFFFAOYSA-N 1 1 487.718 3.168 20 0 JGADMO CSCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302766525 1067365956 /nfs/dbraw/zinc/36/59/56/1067365956.db2.gz AORSOROFNYMYPI-CVDCTZTESA-N 1 1 488.677 3.140 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n2CC[N@@H+](C)C2CCCCC2)o1 ZINC001304318821 1067366596 /nfs/dbraw/zinc/36/65/96/1067366596.db2.gz BJFVEKLOQYVJDJ-HXUWFJFHSA-N 1 1 492.690 3.219 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)o1 ZINC001304319664 1067367321 /nfs/dbraw/zinc/36/73/21/1067367321.db2.gz FPMNDIMYKPKUHA-SFTDATJTSA-N 1 1 486.661 3.072 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)CCS1 ZINC001302770866 1067368718 /nfs/dbraw/zinc/36/87/18/1067368718.db2.gz RQJYINHPQWQAEN-IBGZPJMESA-N 1 1 497.507 3.346 20 0 JGADMO CSCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302773552 1067371466 /nfs/dbraw/zinc/37/14/66/1067371466.db2.gz NZMHELKMPLFNRI-SFHVURJKSA-N 1 1 452.024 3.175 20 0 JGADMO CSCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302773552 1067371477 /nfs/dbraw/zinc/37/14/77/1067371477.db2.gz NZMHELKMPLFNRI-SFHVURJKSA-N 1 1 452.024 3.175 20 0 JGADMO CSCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001302774177 1067371913 /nfs/dbraw/zinc/37/19/13/1067371913.db2.gz HTXXPIFOAQYQJJ-QPPBQGQZSA-N 1 1 484.714 3.195 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001304324400 1067372874 /nfs/dbraw/zinc/37/28/74/1067372874.db2.gz SWSOMRGZEKVQJF-SJORKVTESA-N 1 1 475.435 3.167 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001304325293 1067373931 /nfs/dbraw/zinc/37/39/31/1067373931.db2.gz UIBVTLTZUJAWFV-WNGUMJTMSA-N 1 1 490.718 3.389 20 0 JGADMO Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1Br ZINC001304329025 1067377400 /nfs/dbraw/zinc/37/74/00/1067377400.db2.gz ZXYRXGYRWXXNBS-HKUYNNGSSA-N 1 1 478.435 3.088 20 0 JGADMO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302788395 1067379914 /nfs/dbraw/zinc/37/99/14/1067379914.db2.gz IGHAOAGUWYKJFZ-FGZHOGPDSA-N 1 1 459.660 3.262 20 0 JGADMO CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302788396 1067380132 /nfs/dbraw/zinc/38/01/32/1067380132.db2.gz IGHAOAGUWYKJFZ-VXKWHMMOSA-N 1 1 459.660 3.262 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001302789045 1067380556 /nfs/dbraw/zinc/38/05/56/1067380556.db2.gz OLKDMUKLMFLKPO-SIKLNZKXSA-N 1 1 484.428 3.092 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCOCC2)s1 ZINC001304337515 1067383228 /nfs/dbraw/zinc/38/32/28/1067383228.db2.gz HNZWWFFUAZMUSE-NTKDMRAZSA-N 1 1 477.675 3.293 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001304338649 1067384011 /nfs/dbraw/zinc/38/40/11/1067384011.db2.gz QNUWKTMWBAUNJO-DHLKQENFSA-N 1 1 475.634 3.213 20 0 JGADMO Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC001304341615 1067385956 /nfs/dbraw/zinc/38/59/56/1067385956.db2.gz BBMBKWMOJXAOFE-NRFANRHFSA-N 1 1 470.643 3.411 20 0 JGADMO Cc1ccc(CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@H+](C)C(C)C)o1 ZINC001304345390 1067387970 /nfs/dbraw/zinc/38/79/70/1067387970.db2.gz DIPGQPVAWLXHRY-UHFFFAOYSA-N 1 1 452.607 3.330 20 0 JGADMO Cc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC2CCN(CC[NH+](C)C)CC2)s1 ZINC001304346471 1067388928 /nfs/dbraw/zinc/38/89/28/1067388928.db2.gz RACZBSCXWZPYBS-OAQYLSRUSA-N 1 1 460.692 3.452 20 0 JGADMO CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302803925 1067392221 /nfs/dbraw/zinc/39/22/21/1067392221.db2.gz AWDPMGQSWZABGZ-ISKFKSNPSA-N 1 1 470.662 3.262 20 0 JGADMO CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302803925 1067392233 /nfs/dbraw/zinc/39/22/33/1067392233.db2.gz AWDPMGQSWZABGZ-ISKFKSNPSA-N 1 1 470.662 3.262 20 0 JGADMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304351401 1067393006 /nfs/dbraw/zinc/39/30/06/1067393006.db2.gz APQIJHZFVAGNIP-YUXAGFNASA-N 1 1 469.632 3.199 20 0 JGADMO CC(C)C[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)C)CC1)[NH+](C)C ZINC001302811695 1067399290 /nfs/dbraw/zinc/39/92/90/1067399290.db2.gz LAMHAOLMCKCOHQ-OAQYLSRUSA-N 1 1 456.635 3.223 20 0 JGADMO Cc1ccc(Cn2c(N(C)CC[N@@H+]3CCOC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(F)c1 ZINC001304362568 1067400511 /nfs/dbraw/zinc/40/05/11/1067400511.db2.gz DDZLFYSMUJRZEH-AREMUKBSSA-N 1 1 489.636 3.362 20 0 JGADMO Cc1ccc(Cn2c(N(C)CC[N@H+]3CCOC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(F)c1 ZINC001304362568 1067400514 /nfs/dbraw/zinc/40/05/14/1067400514.db2.gz DDZLFYSMUJRZEH-AREMUKBSSA-N 1 1 489.636 3.362 20 0 JGADMO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001302822061 1067410937 /nfs/dbraw/zinc/41/09/37/1067410937.db2.gz LEVOHRHUEWWODX-DHIUTWEWSA-N 1 1 474.719 3.455 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001304374890 1067414232 /nfs/dbraw/zinc/41/42/32/1067414232.db2.gz ORVTZDIFRYUCBQ-LJQANCHMSA-N 1 1 450.591 3.001 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCCO3)n2CC[NH+]2CCSCC2)cc1C ZINC001304374854 1067414325 /nfs/dbraw/zinc/41/43/25/1067414325.db2.gz GPDSEFROWVRERR-OAQYLSRUSA-N 1 1 472.659 3.201 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3COC(C)(C)OC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001304375477 1067415762 /nfs/dbraw/zinc/41/57/62/1067415762.db2.gz MQXNHJJNQDSAHY-FQEVSTJZSA-N 1 1 484.645 3.467 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1C ZINC001304376363 1067417133 /nfs/dbraw/zinc/41/71/33/1067417133.db2.gz XIHXDWHXTVWQMX-NRFANRHFSA-N 1 1 495.672 3.469 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@@H+]2CC=CCC2)cc1C ZINC001304376429 1067417652 /nfs/dbraw/zinc/41/76/52/1067417652.db2.gz YQUHZBIVCWNSLL-NRFANRHFSA-N 1 1 452.603 3.272 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(C)(C)CC3)n2CCC[NH+]2CCOCC2)cc1C ZINC001304377463 1067419921 /nfs/dbraw/zinc/41/99/21/1067419921.db2.gz JEGGWGWEVJWUKW-UHFFFAOYSA-N 1 1 454.619 3.496 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302834697 1067421817 /nfs/dbraw/zinc/42/18/17/1067421817.db2.gz CTSPUJZIASZRLT-LEWJYISDSA-N 1 1 454.667 3.492 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001302840123 1067426814 /nfs/dbraw/zinc/42/68/14/1067426814.db2.gz SQAMRWJFLXUYBO-OPYAIIAOSA-N 1 1 465.689 3.245 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001302840123 1067426820 /nfs/dbraw/zinc/42/68/20/1067426820.db2.gz SQAMRWJFLXUYBO-OPYAIIAOSA-N 1 1 465.689 3.245 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCSCC(C)C)cc1C ZINC001304381577 1067429620 /nfs/dbraw/zinc/42/96/20/1067429620.db2.gz ATDSDTBDUAMDKN-NRFANRHFSA-N 1 1 472.659 3.057 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCSCC(C)C)cc1C ZINC001304381577 1067429624 /nfs/dbraw/zinc/42/96/24/1067429624.db2.gz ATDSDTBDUAMDKN-NRFANRHFSA-N 1 1 472.659 3.057 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCCOC(F)F)cc1C ZINC001304382354 1067430612 /nfs/dbraw/zinc/43/06/12/1067430612.db2.gz GMFLDPMLPNJRPR-HXUWFJFHSA-N 1 1 492.571 3.078 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001304383156 1067431893 /nfs/dbraw/zinc/43/18/93/1067431893.db2.gz HHPQOMDDZZPAMW-QFIPXVFZSA-N 1 1 453.635 3.018 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1F ZINC001302851096 1067435543 /nfs/dbraw/zinc/43/55/43/1067435543.db2.gz YSIADMROORIXHK-NQIIRXRSSA-N 1 1 492.665 3.112 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C(F)(F)F ZINC001302851537 1067436168 /nfs/dbraw/zinc/43/61/68/1067436168.db2.gz LDGPBXMFTYRKLX-SJLPKXTDSA-N 1 1 451.541 3.001 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H]1C(F)(F)F ZINC001302851537 1067436174 /nfs/dbraw/zinc/43/61/74/1067436174.db2.gz LDGPBXMFTYRKLX-SJLPKXTDSA-N 1 1 451.541 3.001 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H]1C(F)(F)F ZINC001302851537 1067436179 /nfs/dbraw/zinc/43/61/79/1067436179.db2.gz LDGPBXMFTYRKLX-SJLPKXTDSA-N 1 1 451.541 3.001 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304386000 1067439053 /nfs/dbraw/zinc/43/90/53/1067439053.db2.gz CEKSPRUGKCMERN-TZIWHRDSSA-N 1 1 454.619 3.493 20 0 JGADMO CC(C)Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302860915 1067443634 /nfs/dbraw/zinc/44/36/34/1067443634.db2.gz IZTOWALEQCELTN-JOCHJYFZSA-N 1 1 458.651 3.281 20 0 JGADMO CC(C)Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302860915 1067443635 /nfs/dbraw/zinc/44/36/35/1067443635.db2.gz IZTOWALEQCELTN-JOCHJYFZSA-N 1 1 458.651 3.281 20 0 JGADMO CC(C)Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302860915 1067443638 /nfs/dbraw/zinc/44/36/38/1067443638.db2.gz IZTOWALEQCELTN-JOCHJYFZSA-N 1 1 458.651 3.281 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304388573 1067446574 /nfs/dbraw/zinc/44/65/74/1067446574.db2.gz PQFCOSMTQGDBRR-JOCHJYFZSA-N 1 1 477.613 3.080 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CCc2ccccc2)n1CCNC(=O)OC(C)(C)C ZINC001302866331 1067447246 /nfs/dbraw/zinc/44/72/46/1067447246.db2.gz KVJQVJFPBAVCFO-OAQYLSRUSA-N 1 1 498.672 3.278 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CC(F)(F)Br ZINC001302866094 1067447343 /nfs/dbraw/zinc/44/73/43/1067447343.db2.gz IRGFYUJYKNIUGQ-OAHLLOKOSA-N 1 1 480.361 3.377 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C[C@@H]1F ZINC001302867329 1067447775 /nfs/dbraw/zinc/44/77/75/1067447775.db2.gz SNIHDNJVVUCKET-CEXWTWQISA-N 1 1 468.618 3.161 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccccn2)n1CCSCC(F)(F)F ZINC001302866396 1067447836 /nfs/dbraw/zinc/44/78/36/1067447836.db2.gz NRCQSLIJEMAFGA-MRXNPFEDSA-N 1 1 470.565 3.325 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCSCC(F)(F)F ZINC001302866466 1067447925 /nfs/dbraw/zinc/44/79/25/1067447925.db2.gz NVYOEOORUOPDLO-AEFFLSMTSA-N 1 1 482.576 3.235 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC001304390937 1067451123 /nfs/dbraw/zinc/45/11/23/1067451123.db2.gz ZVXJCQKRZBSFQH-OAQYLSRUSA-N 1 1 451.575 3.498 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001304391574 1067451343 /nfs/dbraw/zinc/45/13/43/1067451343.db2.gz BLISTXLBDJZYJG-DHIUTWEWSA-N 1 1 471.646 3.495 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001304391576 1067451412 /nfs/dbraw/zinc/45/14/12/1067451412.db2.gz BLISTXLBDJZYJG-GOTSBHOMSA-N 1 1 471.646 3.495 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001304395260 1067457024 /nfs/dbraw/zinc/45/70/24/1067457024.db2.gz HGDHAFMVIJDCRW-QHCPKHFHSA-N 1 1 498.672 3.033 20 0 JGADMO Cc1c(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cnn1C ZINC001304398418 1067460574 /nfs/dbraw/zinc/46/05/74/1067460574.db2.gz VIOYMGTZSKMFTE-UHFFFAOYSA-N 1 1 495.672 3.359 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304398756 1067460957 /nfs/dbraw/zinc/46/09/57/1067460957.db2.gz UOEOGPWJRRYXBT-QFIPXVFZSA-N 1 1 481.645 3.345 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001302881168 1067462514 /nfs/dbraw/zinc/46/25/14/1067462514.db2.gz AGINQULRDVHZQF-HXUWFJFHSA-N 1 1 489.974 3.232 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001304399599 1067462753 /nfs/dbraw/zinc/46/27/53/1067462753.db2.gz GFXVVFFBZFIFPQ-QHCPKHFHSA-N 1 1 468.602 3.455 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001304399810 1067462779 /nfs/dbraw/zinc/46/27/79/1067462779.db2.gz CKIFYINVCGZTSI-MRXNPFEDSA-N 1 1 455.525 3.441 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@](C)(O)c1ccccc1Cl ZINC001302881620 1067462977 /nfs/dbraw/zinc/46/29/77/1067462977.db2.gz IHSFBJWYTQOXPV-RPWUZVMVSA-N 1 1 462.038 3.339 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001302881619 1067463031 /nfs/dbraw/zinc/46/30/31/1067463031.db2.gz IHSFBJWYTQOXPV-DNQXCXABSA-N 1 1 462.038 3.339 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC001304400284 1067463315 /nfs/dbraw/zinc/46/33/15/1067463315.db2.gz JIJLDVZYIRBVRD-XMMPIXPASA-N 1 1 481.645 3.201 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001304403010 1067465365 /nfs/dbraw/zinc/46/53/65/1067465365.db2.gz CPUXHPIRXVFJTR-VWLOTQADSA-N 1 1 459.635 3.120 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001304403010 1067465368 /nfs/dbraw/zinc/46/53/68/1067465368.db2.gz CPUXHPIRXVFJTR-VWLOTQADSA-N 1 1 459.635 3.120 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C(=O)Nc4nncs4)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001304405067 1067468281 /nfs/dbraw/zinc/46/82/81/1067468281.db2.gz RZQAQTIYLMAJTD-UHFFFAOYSA-N 1 1 498.657 3.212 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1C ZINC001304405756 1067469153 /nfs/dbraw/zinc/46/91/53/1067469153.db2.gz MSMVHUZCZRNPGZ-NRFANRHFSA-N 1 1 468.646 3.263 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(=O)N(C)Cc1ccccc1 ZINC001302892211 1067472059 /nfs/dbraw/zinc/47/20/59/1067472059.db2.gz CPNQXRNEVGNBKF-ZRZAMGCNSA-N 1 1 496.700 3.461 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001302892099 1067472090 /nfs/dbraw/zinc/47/20/90/1067472090.db2.gz ALLKKSLXXRYHHM-OAQYLSRUSA-N 1 1 469.678 3.355 20 0 JGADMO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302896578 1067477891 /nfs/dbraw/zinc/47/78/91/1067477891.db2.gz KOQDVEZEMHSHBC-HXUWFJFHSA-N 1 1 450.031 3.015 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(-c4ccc[nH]4)n3CCNC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302901850 1067485972 /nfs/dbraw/zinc/48/59/72/1067485972.db2.gz RKAJNPBMHDZWDC-KDURUIRLSA-N 1 1 487.649 3.124 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(Cc2c(F)cccc2F)n1CCOCC(F)F ZINC001302901938 1067486007 /nfs/dbraw/zinc/48/60/07/1067486007.db2.gz UTYOKNRRJBEMAM-INIZCTEOSA-N 1 1 485.526 3.118 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CNC(=O)c2cccs2)n1CCC(C)(F)F ZINC001302901796 1067486054 /nfs/dbraw/zinc/48/60/54/1067486054.db2.gz PVKMEFFMMWVDGF-INIZCTEOSA-N 1 1 482.601 3.004 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCCCO)CC2)C[C@H](C)O1 ZINC001302902198 1067487117 /nfs/dbraw/zinc/48/71/17/1067487117.db2.gz YKEMEWNPPHHUQZ-KDURUIRLSA-N 1 1 477.053 3.482 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001304415864 1067487249 /nfs/dbraw/zinc/48/72/49/1067487249.db2.gz KINMOYKRAPZGOD-YADHBBJMSA-N 1 1 468.646 3.391 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001302902600 1067487559 /nfs/dbraw/zinc/48/75/59/1067487559.db2.gz LUHAAEOUXVYYDB-ROUUACIJSA-N 1 1 472.600 3.149 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001304417004 1067489121 /nfs/dbraw/zinc/48/91/21/1067489121.db2.gz RVZVIMHCKPHSMP-UGKGYDQZSA-N 1 1 475.659 3.052 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001304416759 1067489248 /nfs/dbraw/zinc/48/92/48/1067489248.db2.gz OVCDFULQWDBEGW-NRFANRHFSA-N 1 1 457.619 3.200 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CCc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC001302905092 1067489800 /nfs/dbraw/zinc/48/98/00/1067489800.db2.gz GMQAUISAMWYJBS-OTWHNJEPSA-N 1 1 476.691 3.324 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CCc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC001302905092 1067489803 /nfs/dbraw/zinc/48/98/03/1067489803.db2.gz GMQAUISAMWYJBS-OTWHNJEPSA-N 1 1 476.691 3.324 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@H](C)O1 ZINC001302905297 1067490211 /nfs/dbraw/zinc/49/02/11/1067490211.db2.gz KDCJZCIFVWBABO-HYFFOGBASA-N 1 1 467.536 3.151 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@H](C)O1 ZINC001302905297 1067490214 /nfs/dbraw/zinc/49/02/14/1067490214.db2.gz KDCJZCIFVWBABO-HYFFOGBASA-N 1 1 467.536 3.151 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CC[N@@H+](C)C2CCCCC2)cc1C ZINC001304417999 1067491283 /nfs/dbraw/zinc/49/12/83/1067491283.db2.gz JQVBIOJQKSWZJK-UHFFFAOYSA-N 1 1 454.619 3.017 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001302906015 1067491365 /nfs/dbraw/zinc/49/13/65/1067491365.db2.gz XZKQPSDFDXRXCG-KDURUIRLSA-N 1 1 476.666 3.348 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001302906015 1067491370 /nfs/dbraw/zinc/49/13/70/1067491370.db2.gz XZKQPSDFDXRXCG-KDURUIRLSA-N 1 1 476.666 3.348 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccncc3)n2CCc2cccc(F)c2)C[C@H](C)O1 ZINC001302908406 1067493002 /nfs/dbraw/zinc/49/30/02/1067493002.db2.gz LAVWWCABAZEUCK-BGYRXZFFSA-N 1 1 452.578 3.191 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccncc3)n2CCc2cccc(F)c2)C[C@H](C)O1 ZINC001302908406 1067493006 /nfs/dbraw/zinc/49/30/06/1067493006.db2.gz LAVWWCABAZEUCK-BGYRXZFFSA-N 1 1 452.578 3.191 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304419324 1067493991 /nfs/dbraw/zinc/49/39/91/1067493991.db2.gz OCJLVSIVRCCOQJ-IBGZPJMESA-N 1 1 462.589 3.344 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccc3F)n2CCCOC(F)(F)F)C[C@H](C)O1 ZINC001302909029 1067494113 /nfs/dbraw/zinc/49/41/13/1067494113.db2.gz PRMUVCQPFQJZNA-CALCHBBNSA-N 1 1 473.515 3.480 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccc3F)n2CCCOC(F)(F)F)C[C@H](C)O1 ZINC001302909029 1067494116 /nfs/dbraw/zinc/49/41/16/1067494116.db2.gz PRMUVCQPFQJZNA-CALCHBBNSA-N 1 1 473.515 3.480 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCOC2)C[C@H](C)O1 ZINC001302909445 1067494471 /nfs/dbraw/zinc/49/44/71/1067494471.db2.gz TZKAHFAQPMFMQD-MLBCHFTJSA-N 1 1 463.667 3.169 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCOC2)C[C@H](C)O1 ZINC001302909445 1067494477 /nfs/dbraw/zinc/49/44/77/1067494477.db2.gz TZKAHFAQPMFMQD-MLBCHFTJSA-N 1 1 463.667 3.169 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2CCC2(C)CC2)C[C@H](C)O1 ZINC001302909448 1067494531 /nfs/dbraw/zinc/49/45/31/1067494531.db2.gz UCJNAEYOGDRWMD-HDICACEKSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2CCC2(C)CC2)C[C@H](C)O1 ZINC001302909448 1067494538 /nfs/dbraw/zinc/49/45/38/1067494538.db2.gz UCJNAEYOGDRWMD-HDICACEKSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCOC2)C[C@H](C)O1 ZINC001302909419 1067494702 /nfs/dbraw/zinc/49/47/02/1067494702.db2.gz SFPWYYHCBJHWTR-ZVDOUQERSA-N 1 1 462.038 3.494 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCOC2)C[C@H](C)O1 ZINC001302909419 1067494707 /nfs/dbraw/zinc/49/47/07/1067494707.db2.gz SFPWYYHCBJHWTR-ZVDOUQERSA-N 1 1 462.038 3.494 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccncc3)n2CCSCC(F)(F)F)C[C@H](C)O1 ZINC001302909602 1067495097 /nfs/dbraw/zinc/49/50/97/1067495097.db2.gz WFOIOFLEELEAKP-CALCHBBNSA-N 1 1 472.581 3.105 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccncc3)n2CCSCC(F)(F)F)C[C@H](C)O1 ZINC001302909602 1067495101 /nfs/dbraw/zinc/49/51/01/1067495101.db2.gz WFOIOFLEELEAKP-CALCHBBNSA-N 1 1 472.581 3.105 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2CC2=CCCCC2)C[C@H](C)O1 ZINC001302909660 1067495106 /nfs/dbraw/zinc/49/51/06/1067495106.db2.gz XZQKQCALNFNRRA-KDURUIRLSA-N 1 1 472.659 3.315 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2CC2=CCCCC2)C[C@H](C)O1 ZINC001302909660 1067495108 /nfs/dbraw/zinc/49/51/08/1067495108.db2.gz XZQKQCALNFNRRA-KDURUIRLSA-N 1 1 472.659 3.315 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccncc3)n2Cc2nc(C(F)(F)F)cs2)C[C@H](C)O1 ZINC001302909766 1067495157 /nfs/dbraw/zinc/49/51/57/1067495157.db2.gz ZTFPGUDVIYKWAB-IYBDPMFKSA-N 1 1 495.575 3.333 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccncc3)n2Cc2nc(C(F)(F)F)cs2)C[C@H](C)O1 ZINC001302909766 1067495161 /nfs/dbraw/zinc/49/51/61/1067495161.db2.gz ZTFPGUDVIYKWAB-IYBDPMFKSA-N 1 1 495.575 3.333 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)C1CCCCC1 ZINC001302910268 1067496246 /nfs/dbraw/zinc/49/62/46/1067496246.db2.gz JRLBNNVKZLBSQE-SFHVURJKSA-N 1 1 455.607 3.194 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001304422957 1067499514 /nfs/dbraw/zinc/49/95/14/1067499514.db2.gz SQZVSWMRPDYAGJ-SFTDATJTSA-N 1 1 459.660 3.344 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302919589 1067501028 /nfs/dbraw/zinc/50/10/28/1067501028.db2.gz MRXWJZXMOAUFQO-WOJBJXKFSA-N 1 1 455.651 3.314 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001304428159 1067505077 /nfs/dbraw/zinc/50/50/77/1067505077.db2.gz IJGCUVZYQAIWHE-NRFANRHFSA-N 1 1 450.587 3.193 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001304428159 1067505080 /nfs/dbraw/zinc/50/50/80/1067505080.db2.gz IJGCUVZYQAIWHE-NRFANRHFSA-N 1 1 450.587 3.193 20 0 JGADMO FC(F)(F)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001302929280 1067506466 /nfs/dbraw/zinc/50/64/66/1067506466.db2.gz VNRMYNIKHDFCQP-QGZVFWFLSA-N 1 1 459.900 3.088 20 0 JGADMO Cc1ccc(S(=O)(=O)NCCn2c(C(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)s1 ZINC001304429638 1067507353 /nfs/dbraw/zinc/50/73/53/1067507353.db2.gz NZXXERSQOZYQON-UHFFFAOYSA-N 1 1 494.712 3.134 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302933246 1067508514 /nfs/dbraw/zinc/50/85/14/1067508514.db2.gz KBQGPSUENWDBGV-LJQANCHMSA-N 1 1 474.616 3.440 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN1CCN(Cc2ccccc2)CC1 ZINC001302934386 1067508982 /nfs/dbraw/zinc/50/89/82/1067508982.db2.gz WZMWLRVVUBOSQT-UHFFFAOYSA-N 1 1 467.706 3.215 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN1CCN(Cc2ccccc2)CC1 ZINC001302934386 1067508991 /nfs/dbraw/zinc/50/89/91/1067508991.db2.gz WZMWLRVVUBOSQT-UHFFFAOYSA-N 1 1 467.706 3.215 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302936371 1067509810 /nfs/dbraw/zinc/50/98/10/1067509810.db2.gz CVWUOCRMDXVCAK-UHFFFAOYSA-N 1 1 477.028 3.452 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302936371 1067509816 /nfs/dbraw/zinc/50/98/16/1067509816.db2.gz CVWUOCRMDXVCAK-UHFFFAOYSA-N 1 1 477.028 3.452 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302937058 1067510184 /nfs/dbraw/zinc/51/01/84/1067510184.db2.gz HWZQOUPRTJVGKQ-OAQYLSRUSA-N 1 1 470.691 3.287 20 0 JGADMO FC(F)(F)CN1CCCN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302937934 1067511395 /nfs/dbraw/zinc/51/13/95/1067511395.db2.gz RULUHQCZGDZVOG-UHFFFAOYSA-N 1 1 462.564 3.400 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304432719 1067511599 /nfs/dbraw/zinc/51/15/99/1067511599.db2.gz DUSDPBPCWFDCJG-SJORKVTESA-N 1 1 482.576 3.230 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCc1cccc(F)c1 ZINC001302938546 1067512216 /nfs/dbraw/zinc/51/22/16/1067512216.db2.gz SNVIDUNHRGRCDH-UHFFFAOYSA-N 1 1 470.637 3.383 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCc1cccc(F)c1 ZINC001302938546 1067512224 /nfs/dbraw/zinc/51/22/24/1067512224.db2.gz SNVIDUNHRGRCDH-UHFFFAOYSA-N 1 1 470.637 3.383 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302939395 1067513402 /nfs/dbraw/zinc/51/34/02/1067513402.db2.gz YNFJCTXFQPJBEU-DEOSSOPVSA-N 1 1 454.663 3.135 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001304434383 1067513481 /nfs/dbraw/zinc/51/34/81/1067513481.db2.gz MGGHEOROTALFRM-HXUWFJFHSA-N 1 1 477.700 3.377 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC001304434383 1067513491 /nfs/dbraw/zinc/51/34/91/1067513491.db2.gz MGGHEOROTALFRM-HXUWFJFHSA-N 1 1 477.700 3.377 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302939897 1067513793 /nfs/dbraw/zinc/51/37/93/1067513793.db2.gz OMIJVPBOVWZCDG-UHFFFAOYSA-N 1 1 457.022 3.354 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001304438114 1067518068 /nfs/dbraw/zinc/51/80/68/1067518068.db2.gz JQFZVLKDOSXRRV-QPPBQGQZSA-N 1 1 486.730 3.360 20 0 JGADMO FC(F)C(F)(F)CN1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302945301 1067518141 /nfs/dbraw/zinc/51/81/41/1067518141.db2.gz OAWDXIDUXDACSA-UHFFFAOYSA-N 1 1 452.500 3.229 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302945592 1067518806 /nfs/dbraw/zinc/51/88/06/1067518806.db2.gz JBRIBCPHXNEGOJ-LEWJYISDSA-N 1 1 478.682 3.159 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302946803 1067520257 /nfs/dbraw/zinc/52/02/57/1067520257.db2.gz GSLOPFGAADDFFH-UHFFFAOYSA-N 1 1 475.632 3.107 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302946803 1067520263 /nfs/dbraw/zinc/52/02/63/1067520263.db2.gz GSLOPFGAADDFFH-UHFFFAOYSA-N 1 1 475.632 3.107 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302946803 1067520272 /nfs/dbraw/zinc/52/02/72/1067520272.db2.gz GSLOPFGAADDFFH-UHFFFAOYSA-N 1 1 475.632 3.107 20 0 JGADMO FC(F)COCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302947887 1067521357 /nfs/dbraw/zinc/52/13/57/1067521357.db2.gz JMXXSLFCBVFYLH-KRWDZBQOSA-N 1 1 469.964 3.429 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCOC[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304440631 1067521491 /nfs/dbraw/zinc/52/14/91/1067521491.db2.gz KPPJXJRKIYUEKY-IFMALSPDSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1cccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCOC(C)(C)C)[NH+]2CCOCC2)c1 ZINC001304442008 1067522892 /nfs/dbraw/zinc/52/28/92/1067522892.db2.gz DFEFSQKJQXKFJB-QHCPKHFHSA-N 1 1 481.645 3.312 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302949878 1067523609 /nfs/dbraw/zinc/52/36/09/1067523609.db2.gz LCPRQSUVOHYBEW-OYRHEFFESA-N 1 1 470.662 3.397 20 0 JGADMO FC(F)Oc1cccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001302956076 1067528122 /nfs/dbraw/zinc/52/81/22/1067528122.db2.gz ZPEQLCFUVYLUCC-OAHLLOKOSA-N 1 1 493.502 3.363 20 0 JGADMO FC(F)Oc1cccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001302956076 1067528127 /nfs/dbraw/zinc/52/81/27/1067528127.db2.gz ZPEQLCFUVYLUCC-OAHLLOKOSA-N 1 1 493.502 3.363 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302959126 1067531209 /nfs/dbraw/zinc/53/12/09/1067531209.db2.gz OOSIAYKJKUFTSA-QFIPXVFZSA-N 1 1 490.096 3.080 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302959426 1067531355 /nfs/dbraw/zinc/53/13/55/1067531355.db2.gz UOLVSIUVBKLEBG-QHCPKHFHSA-N 1 1 487.737 3.168 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCN1CCOCC1(C)C ZINC001302961317 1067532637 /nfs/dbraw/zinc/53/26/37/1067532637.db2.gz KEESQMSXBHJTEL-JOCHJYFZSA-N 1 1 454.663 3.298 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302965624 1067535737 /nfs/dbraw/zinc/53/57/37/1067535737.db2.gz HZGBENHRNZRBMZ-UHFFFAOYSA-N 1 1 454.541 3.486 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001304457405 1067537753 /nfs/dbraw/zinc/53/77/53/1067537753.db2.gz CGGYXVVEIWAEJT-SFHVURJKSA-N 1 1 473.576 3.262 20 0 JGADMO Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C)n3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c(C)o1 ZINC001304459979 1067539447 /nfs/dbraw/zinc/53/94/47/1067539447.db2.gz MJYXRJNENNDWOY-SANMLTNESA-N 1 1 482.629 3.313 20 0 JGADMO Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C)n3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c(C)o1 ZINC001304459979 1067539453 /nfs/dbraw/zinc/53/94/53/1067539453.db2.gz MJYXRJNENNDWOY-SANMLTNESA-N 1 1 482.629 3.313 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302972541 1067540230 /nfs/dbraw/zinc/54/02/30/1067540230.db2.gz POANNPBLCZSFHF-NBGIEHNGSA-N 1 1 457.667 3.473 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCOc3ccccc3C)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001304461947 1067540188 /nfs/dbraw/zinc/54/01/88/1067540188.db2.gz JZHVCZUOASZDKL-OAQYLSRUSA-N 1 1 450.587 3.193 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302975445 1067541784 /nfs/dbraw/zinc/54/17/84/1067541784.db2.gz KJQHJIFHUMBCIN-AOHZBQACSA-N 1 1 455.647 3.424 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001304463703 1067541844 /nfs/dbraw/zinc/54/18/44/1067541844.db2.gz GYJRNHUCZFWWDZ-RXVVDRJESA-N 1 1 499.660 3.109 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302977140 1067543229 /nfs/dbraw/zinc/54/32/29/1067543229.db2.gz SSNJVBHLQGWNBK-FQEVSTJZSA-N 1 1 478.682 3.329 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304475791 1067554040 /nfs/dbraw/zinc/55/40/40/1067554040.db2.gz RFJOQNJBQBLQLV-FQEVSTJZSA-N 1 1 482.654 3.182 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001302996573 1067556085 /nfs/dbraw/zinc/55/60/85/1067556085.db2.gz YIEMIYGNBRGMQM-FNZWTVRRSA-N 1 1 490.693 3.332 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC001304478815 1067557921 /nfs/dbraw/zinc/55/79/21/1067557921.db2.gz MIAPJYOFSHFISX-FGZHOGPDSA-N 1 1 469.678 3.314 20 0 JGADMO Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001304479382 1067558595 /nfs/dbraw/zinc/55/85/95/1067558595.db2.gz SUJQZVXCACSMBO-UHFFFAOYSA-N 1 1 465.602 3.291 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001303002076 1067559169 /nfs/dbraw/zinc/55/91/69/1067559169.db2.gz AKKNQWSZPIDRSO-XMMPIXPASA-N 1 1 474.675 3.085 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CCCOCC(F)(F)F)CC3)n2CC2([NH+](C)C)CCC2)n1 ZINC001304480694 1067559939 /nfs/dbraw/zinc/55/99/39/1067559939.db2.gz RVQHRQBBKIQYFC-UHFFFAOYSA-N 1 1 495.594 3.224 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCCN(C)CC(F)(F)F)n1 ZINC001304481017 1067560700 /nfs/dbraw/zinc/56/07/00/1067560700.db2.gz XQACRWVFYPXMAZ-GOSISDBHSA-N 1 1 451.541 3.207 20 0 JGADMO Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304481441 1067561289 /nfs/dbraw/zinc/56/12/89/1067561289.db2.gz FINSITOYOWBLPT-OAQYLSRUSA-N 1 1 456.635 3.401 20 0 JGADMO Cc1cccc(CCn2c(COc3ccccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304494604 1067571456 /nfs/dbraw/zinc/57/14/56/1067571456.db2.gz SSJFPAPEWNHAFU-OYRHEFFESA-N 1 1 482.604 3.488 20 0 JGADMO Cc1cccc(CCn2c(COc3ccccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304494604 1067571460 /nfs/dbraw/zinc/57/14/60/1067571460.db2.gz SSJFPAPEWNHAFU-OYRHEFFESA-N 1 1 482.604 3.488 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001304498882 1067574171 /nfs/dbraw/zinc/57/41/71/1067574171.db2.gz ZUMSYIXXEWIXLY-TZIWHRDSSA-N 1 1 467.662 3.084 20 0 JGADMO NC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303025465 1067578068 /nfs/dbraw/zinc/57/80/68/1067578068.db2.gz XEAUKDYIYLTPLO-MRXNPFEDSA-N 1 1 479.412 3.128 20 0 JGADMO Cc1cc(Cn2c(COc3cccc(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)no1 ZINC001304504226 1067578447 /nfs/dbraw/zinc/57/84/47/1067578447.db2.gz SGXMDOJADJVLTF-UHFFFAOYSA-N 1 1 468.602 3.305 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304504596 1067578825 /nfs/dbraw/zinc/57/88/25/1067578825.db2.gz RYPIMIOZYMSRTQ-HXUWFJFHSA-N 1 1 477.675 3.157 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304510384 1067584711 /nfs/dbraw/zinc/58/47/11/1067584711.db2.gz NDTQJNXYZCANJS-FQEVSTJZSA-N 1 1 454.619 3.001 20 0 JGADMO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303041129 1067585816 /nfs/dbraw/zinc/58/58/16/1067585816.db2.gz MLMKFGCJAZGPQE-QGZVFWFLSA-N 1 1 453.429 3.365 20 0 JGADMO COc1cc(CCC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)cc(OC)c1O ZINC001303042138 1067586665 /nfs/dbraw/zinc/58/66/65/1067586665.db2.gz YQVWXXPJJHKSGI-BCHFMIIMSA-N 1 1 454.567 3.234 20 0 JGADMO COc1cc(CCC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)cc(OC)c1O ZINC001303042138 1067586673 /nfs/dbraw/zinc/58/66/73/1067586673.db2.gz YQVWXXPJJHKSGI-BCHFMIIMSA-N 1 1 454.567 3.234 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001304511375 1067586830 /nfs/dbraw/zinc/58/68/30/1067586830.db2.gz AMXSDCNVAQZOBA-MQFAKOPTSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001304511375 1067586834 /nfs/dbraw/zinc/58/68/34/1067586834.db2.gz AMXSDCNVAQZOBA-MQFAKOPTSA-N 1 1 459.660 3.387 20 0 JGADMO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc2)cc1 ZINC001303049037 1067590311 /nfs/dbraw/zinc/59/03/11/1067590311.db2.gz AOGUYSYQBCCJRK-HSZRJFAPSA-N 1 1 451.567 3.208 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001304513481 1067590791 /nfs/dbraw/zinc/59/07/91/1067590791.db2.gz UZPFWZAGWXWDFY-UHFFFAOYSA-N 1 1 470.662 3.054 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCS[C@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001304513809 1067591106 /nfs/dbraw/zinc/59/11/06/1067591106.db2.gz DQXALFCQLJYAFX-NHCUHLMSSA-N 1 1 459.660 3.344 20 0 JGADMO Cc1cccc(OCCn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001304517217 1067593134 /nfs/dbraw/zinc/59/31/34/1067593134.db2.gz BCQHMZNICAEBJR-UHFFFAOYSA-N 1 1 464.614 3.198 20 0 JGADMO Cc1cccc(OCCn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001304517217 1067593138 /nfs/dbraw/zinc/59/31/38/1067593138.db2.gz BCQHMZNICAEBJR-UHFFFAOYSA-N 1 1 464.614 3.198 20 0 JGADMO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304519411 1067594908 /nfs/dbraw/zinc/59/49/08/1067594908.db2.gz IIPLMDOHGUWVEX-SFTDATJTSA-N 1 1 456.635 3.279 20 0 JGADMO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304519975 1067595572 /nfs/dbraw/zinc/59/55/72/1067595572.db2.gz OJNIHIKMPUZPSM-NRFANRHFSA-N 1 1 464.662 3.458 20 0 JGADMO O=C(C1CCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCSCC2)CC1)C(F)(F)F ZINC001303060402 1067596268 /nfs/dbraw/zinc/59/62/68/1067596268.db2.gz ASMNTDVQJJTQLA-UHFFFAOYSA-N 1 1 481.588 3.460 20 0 JGADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001304520621 1067596318 /nfs/dbraw/zinc/59/63/18/1067596318.db2.gz NHGUXXWICZCRAB-ILWGZMRPSA-N 1 1 454.619 3.092 20 0 JGADMO Cc1ccccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001304526442 1067599398 /nfs/dbraw/zinc/59/93/98/1067599398.db2.gz PTRPNZUWQGFOSD-FQEVSTJZSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1ccccc1-c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304527995 1067599929 /nfs/dbraw/zinc/59/99/29/1067599929.db2.gz LEXPQHTZGOMWJL-IFMALSPDSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001304529463 1067601091 /nfs/dbraw/zinc/60/10/91/1067601091.db2.gz AMDQQVKOIMFSAO-UHFFFAOYSA-N 1 1 468.646 3.059 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001304529463 1067601097 /nfs/dbraw/zinc/60/10/97/1067601097.db2.gz AMDQQVKOIMFSAO-UHFFFAOYSA-N 1 1 468.646 3.059 20 0 JGADMO CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303067934 1067602640 /nfs/dbraw/zinc/60/26/40/1067602640.db2.gz JTANDBWRUBDKCM-KNQAVFIVSA-N 1 1 472.609 3.346 20 0 JGADMO CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303067935 1067602655 /nfs/dbraw/zinc/60/26/55/1067602655.db2.gz JTANDBWRUBDKCM-SIKLNZKXSA-N 1 1 472.609 3.346 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304531839 1067603218 /nfs/dbraw/zinc/60/32/18/1067603218.db2.gz ZUFBKUMDPIWTME-NHCUHLMSSA-N 1 1 484.645 3.325 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304535849 1067606180 /nfs/dbraw/zinc/60/61/80/1067606180.db2.gz WWSQUBZIHFFJDS-JOCHJYFZSA-N 1 1 495.716 3.411 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304535849 1067606186 /nfs/dbraw/zinc/60/61/86/1067606186.db2.gz WWSQUBZIHFFJDS-JOCHJYFZSA-N 1 1 495.716 3.411 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304535849 1067606188 /nfs/dbraw/zinc/60/61/88/1067606188.db2.gz WWSQUBZIHFFJDS-JOCHJYFZSA-N 1 1 495.716 3.411 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304536559 1067607463 /nfs/dbraw/zinc/60/74/63/1067607463.db2.gz BPLFRCIOGJIDCD-HXUWFJFHSA-N 1 1 480.579 3.295 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304536558 1067607484 /nfs/dbraw/zinc/60/74/84/1067607484.db2.gz BPLFRCIOGJIDCD-FQEVSTJZSA-N 1 1 480.579 3.295 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCSCCCO)CC1 ZINC001304536845 1067608152 /nfs/dbraw/zinc/60/81/52/1067608152.db2.gz HNFVEHNJKWSEPC-UHFFFAOYSA-N 1 1 483.686 3.042 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304536909 1067608218 /nfs/dbraw/zinc/60/82/18/1067608218.db2.gz INDJCRGZDGTSGB-FPOVZHCZSA-N 1 1 484.645 3.277 20 0 JGADMO Cc1ccccc1-c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304536909 1067608220 /nfs/dbraw/zinc/60/82/20/1067608220.db2.gz INDJCRGZDGTSGB-FPOVZHCZSA-N 1 1 484.645 3.277 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304537087 1067608604 /nfs/dbraw/zinc/60/86/04/1067608604.db2.gz MQEOQIPGNPYNQD-UHFFFAOYSA-N 1 1 493.622 3.211 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001304537566 1067609426 /nfs/dbraw/zinc/60/94/26/1067609426.db2.gz QOVXQZQICAYQAW-PMACEKPBSA-N 1 1 480.579 3.173 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304540176 1067610869 /nfs/dbraw/zinc/61/08/69/1067610869.db2.gz SHDHELCGQZCUPQ-LJQANCHMSA-N 1 1 466.552 3.047 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304540176 1067610872 /nfs/dbraw/zinc/61/08/72/1067610872.db2.gz SHDHELCGQZCUPQ-LJQANCHMSA-N 1 1 466.552 3.047 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304540176 1067610875 /nfs/dbraw/zinc/61/08/75/1067610875.db2.gz SHDHELCGQZCUPQ-LJQANCHMSA-N 1 1 466.552 3.047 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCOC[C@H]1C ZINC001304546659 1067616033 /nfs/dbraw/zinc/61/60/33/1067616033.db2.gz BNADKQLXXMZRLY-PIATZUFCSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCOC[C@H]1C ZINC001304546659 1067616037 /nfs/dbraw/zinc/61/60/37/1067616037.db2.gz BNADKQLXXMZRLY-PIATZUFCSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001304547601 1067616782 /nfs/dbraw/zinc/61/67/82/1067616782.db2.gz IWXGDEJDIGVVRT-RLWLMLJZSA-N 1 1 455.647 3.275 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001304547601 1067616785 /nfs/dbraw/zinc/61/67/85/1067616785.db2.gz IWXGDEJDIGVVRT-RLWLMLJZSA-N 1 1 455.647 3.275 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCC(=O)N(C)C ZINC001304549708 1067618997 /nfs/dbraw/zinc/61/89/97/1067618997.db2.gz BPAVLJCVYGXGCQ-ZRZAMGCNSA-N 1 1 496.700 3.371 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccc2C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001304551966 1067621461 /nfs/dbraw/zinc/62/14/61/1067621461.db2.gz DWQIMNKNLILZBK-UHFFFAOYSA-N 1 1 470.643 3.176 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CC[N@H+](C)C(C)C ZINC001304554099 1067623273 /nfs/dbraw/zinc/62/32/73/1067623273.db2.gz UHUUOFKGIRCIRU-UHFFFAOYSA-N 1 1 482.658 3.224 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(=O)NCC(F)(F)F ZINC001304555626 1067624155 /nfs/dbraw/zinc/62/41/55/1067624155.db2.gz BHNVQSGKCIPGAA-UHFFFAOYSA-N 1 1 466.552 3.166 20 0 JGADMO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304561322 1067631556 /nfs/dbraw/zinc/63/15/56/1067631556.db2.gz TVGFVDCEAGCGHK-SZPZYZBQSA-N 1 1 454.663 3.065 20 0 JGADMO Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001304570599 1067638443 /nfs/dbraw/zinc/63/84/43/1067638443.db2.gz FQUCWNQKSTUMSJ-QHCPKHFHSA-N 1 1 454.663 3.349 20 0 JGADMO Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304572791 1067641033 /nfs/dbraw/zinc/64/10/33/1067641033.db2.gz JILDQQGXZSBGLK-KAOXLYBCSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304572791 1067641038 /nfs/dbraw/zinc/64/10/38/1067641038.db2.gz JILDQQGXZSBGLK-KAOXLYBCSA-N 1 1 471.646 3.493 20 0 JGADMO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304578153 1067646506 /nfs/dbraw/zinc/64/65/06/1067646506.db2.gz SKBGJMPPZYPDBS-UHFFFAOYSA-N 1 1 463.630 3.190 20 0 JGADMO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304578153 1067646513 /nfs/dbraw/zinc/64/65/13/1067646513.db2.gz SKBGJMPPZYPDBS-UHFFFAOYSA-N 1 1 463.630 3.190 20 0 JGADMO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304578153 1067646523 /nfs/dbraw/zinc/64/65/23/1067646523.db2.gz SKBGJMPPZYPDBS-UHFFFAOYSA-N 1 1 463.630 3.190 20 0 JGADMO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303110381 1067648603 /nfs/dbraw/zinc/64/86/03/1067648603.db2.gz UMJLNMRQWRUHJN-WOJBJXKFSA-N 1 1 455.607 3.051 20 0 JGADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001304580202 1067649456 /nfs/dbraw/zinc/64/94/56/1067649456.db2.gz WWHNQRMJOOBAAS-RBBKRZOGSA-N 1 1 488.702 3.341 20 0 JGADMO CC(C)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303113206 1067651308 /nfs/dbraw/zinc/65/13/08/1067651308.db2.gz KLHQUFURDNWHNQ-MRXNPFEDSA-N 1 1 484.464 3.353 20 0 JGADMO CC(C)CCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303113206 1067651311 /nfs/dbraw/zinc/65/13/11/1067651311.db2.gz KLHQUFURDNWHNQ-MRXNPFEDSA-N 1 1 484.464 3.353 20 0 JGADMO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001304586141 1067655121 /nfs/dbraw/zinc/65/51/21/1067655121.db2.gz RPSYNTFQBQBNHX-GOSISDBHSA-N 1 1 463.424 3.049 20 0 JGADMO CC(C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001303119100 1067658053 /nfs/dbraw/zinc/65/80/53/1067658053.db2.gz HOTRJYVPOWQFND-CVDCTZTESA-N 1 1 477.600 3.367 20 0 JGADMO CC(C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303128776 1067670710 /nfs/dbraw/zinc/67/07/10/1067670710.db2.gz MVAJCOAYYJOSAQ-UHFFFAOYSA-N 1 1 476.691 3.410 20 0 JGADMO CC(C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303131150 1067672625 /nfs/dbraw/zinc/67/26/25/1067672625.db2.gz DRFGOHZMYYMVMF-UHFFFAOYSA-N 1 1 456.635 3.082 20 0 JGADMO CC(C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303133433 1067673538 /nfs/dbraw/zinc/67/35/38/1067673538.db2.gz RPQDFPAFUXMBEH-UHFFFAOYSA-N 1 1 450.635 3.249 20 0 JGADMO CC(C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303133433 1067673544 /nfs/dbraw/zinc/67/35/44/1067673544.db2.gz RPQDFPAFUXMBEH-UHFFFAOYSA-N 1 1 450.635 3.249 20 0 JGADMO CC(C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303133433 1067673547 /nfs/dbraw/zinc/67/35/47/1067673547.db2.gz RPQDFPAFUXMBEH-UHFFFAOYSA-N 1 1 450.635 3.249 20 0 JGADMO O[C@@H](COc1ccccc1)C[NH+]1CCN(c2nnc(C3CCC3)n2CCSC(F)(F)F)CC1 ZINC001303136344 1067677293 /nfs/dbraw/zinc/67/72/93/1067677293.db2.gz QHUYRILLXPWISZ-GOSISDBHSA-N 1 1 485.576 3.361 20 0 JGADMO CC(C)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303141263 1067680423 /nfs/dbraw/zinc/68/04/23/1067680423.db2.gz CDGGITPCDGTMTF-QHCPKHFHSA-N 1 1 465.646 3.316 20 0 JGADMO CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCC[NH+]1CCOCC1 ZINC001303142960 1067681401 /nfs/dbraw/zinc/68/14/01/1067681401.db2.gz VALGFBKPDUCDPV-UHFFFAOYSA-N 1 1 466.424 3.434 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001303143193 1067681756 /nfs/dbraw/zinc/68/17/56/1067681756.db2.gz AYOUJYDPKJRBNO-OALUTQOASA-N 1 1 452.525 3.356 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001303143196 1067681854 /nfs/dbraw/zinc/68/18/54/1067681854.db2.gz AYOUJYDPKJRBNO-RTBURBONSA-N 1 1 452.525 3.356 20 0 JGADMO Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001304615157 1067682624 /nfs/dbraw/zinc/68/26/24/1067682624.db2.gz ZKOXSOVAADWSIF-IAGOWNOFSA-N 1 1 492.671 3.091 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303144398 1067683855 /nfs/dbraw/zinc/68/38/55/1067683855.db2.gz QEVWHPYVLFAMDO-QUCCMNQESA-N 1 1 485.526 3.012 20 0 JGADMO CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1CCC[N@H+]1CCCO[C@H](C)C1)C(C)C ZINC001303146228 1067684827 /nfs/dbraw/zinc/68/48/27/1067684827.db2.gz BXILSSNCWRXKSS-HXUWFJFHSA-N 1 1 457.623 3.297 20 0 JGADMO C[C@H](C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)[N@@H+]1CCc2ccccc2C1 ZINC001303149071 1067687182 /nfs/dbraw/zinc/68/71/82/1067687182.db2.gz OYEVMIFVWPDPDJ-MRXNPFEDSA-N 1 1 456.612 3.499 20 0 JGADMO C[C@H](C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)[N@H+]1CCc2ccccc2C1 ZINC001303149071 1067687185 /nfs/dbraw/zinc/68/71/85/1067687185.db2.gz OYEVMIFVWPDPDJ-MRXNPFEDSA-N 1 1 456.612 3.499 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)C1 ZINC001303152661 1067689111 /nfs/dbraw/zinc/68/91/11/1067689111.db2.gz AQFKBUJMNVZSIU-HNNXBMFYSA-N 1 1 470.362 3.400 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303152938 1067690131 /nfs/dbraw/zinc/69/01/31/1067690131.db2.gz KFWOGJXQWDZQPZ-MAUKXSAKSA-N 1 1 491.917 3.352 20 0 JGADMO OCCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CC=CCC1 ZINC001303161399 1067698262 /nfs/dbraw/zinc/69/82/62/1067698262.db2.gz OVHZGOZZEMJSNM-UHFFFAOYSA-N 1 1 471.403 3.297 20 0 JGADMO Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304629277 1067699996 /nfs/dbraw/zinc/69/99/96/1067699996.db2.gz BFKHDSUYIIPUAU-NZSAHSFTSA-N 1 1 465.689 3.307 20 0 JGADMO Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001304630470 1067701060 /nfs/dbraw/zinc/70/10/60/1067701060.db2.gz VFECUMWTXXWWON-HXUWFJFHSA-N 1 1 467.643 3.188 20 0 JGADMO CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303164341 1067701595 /nfs/dbraw/zinc/70/15/95/1067701595.db2.gz MZTSEQYQFLIZFJ-IBGZPJMESA-N 1 1 475.435 3.106 20 0 JGADMO CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303164343 1067701731 /nfs/dbraw/zinc/70/17/31/1067701731.db2.gz MZTSEQYQFLIZFJ-LJQANCHMSA-N 1 1 475.435 3.106 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303172541 1067705924 /nfs/dbraw/zinc/70/59/24/1067705924.db2.gz ISWSIUNDYXDGKD-RTBURBONSA-N 1 1 495.594 3.156 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC001303172506 1067705950 /nfs/dbraw/zinc/70/59/50/1067705950.db2.gz IBGWJAORKKBLMW-FQEVSTJZSA-N 1 1 483.661 3.311 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3ccccc3)C2)C1 ZINC001303172546 1067706067 /nfs/dbraw/zinc/70/60/67/1067706067.db2.gz IVKVBUXPPXBPSE-GMAHTHKFSA-N 1 1 468.646 3.362 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001303172499 1067706084 /nfs/dbraw/zinc/70/60/84/1067706084.db2.gz HTRJVFIELAWMJI-OAQYLSRUSA-N 1 1 482.677 3.186 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC=C(Br)C2)C1 ZINC001303172600 1067706395 /nfs/dbraw/zinc/70/63/95/1067706395.db2.gz JWCIUKJLFUVMAS-KRWDZBQOSA-N 1 1 467.456 3.273 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccn3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001303172732 1067706450 /nfs/dbraw/zinc/70/64/50/1067706450.db2.gz MKCXRYICGJZUEZ-NRFANRHFSA-N 1 1 467.662 3.449 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3)CC2)C1 ZINC001303172602 1067706524 /nfs/dbraw/zinc/70/65/24/1067706524.db2.gz JYVVKSJRTRARGP-JOCHJYFZSA-N 1 1 467.662 3.111 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001303173265 1067707062 /nfs/dbraw/zinc/70/70/62/1067707062.db2.gz QVEBRJYRUDWGPS-QGZVFWFLSA-N 1 1 491.566 3.492 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCc3ccccc32)C1 ZINC001303173270 1067707074 /nfs/dbraw/zinc/70/70/74/1067707074.db2.gz QVLKSLMUUYQRSN-SXWKCWPCSA-N 1 1 488.702 3.380 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001303174262 1067707423 /nfs/dbraw/zinc/70/74/23/1067707423.db2.gz XCNQATLSYHNLCT-MSOLQXFVSA-N 1 1 483.082 3.231 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@H](C)C2)C1 ZINC001303174291 1067708082 /nfs/dbraw/zinc/70/80/82/1067708082.db2.gz XFTCZTIFSQRWGE-MOPGFXCFSA-N 1 1 457.648 3.235 20 0 JGADMO Cc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC001304640813 1067708905 /nfs/dbraw/zinc/70/89/05/1067708905.db2.gz GGZYLFJNCDFRAX-UHFFFAOYSA-N 1 1 467.643 3.250 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303176682 1067709402 /nfs/dbraw/zinc/70/94/02/1067709402.db2.gz DWMYXGWZUKPPFO-FHWLQOOXSA-N 1 1 491.624 3.327 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303176683 1067709713 /nfs/dbraw/zinc/70/97/13/1067709713.db2.gz DWMYXGWZUKPPFO-GBESFXJTSA-N 1 1 491.624 3.327 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303178166 1067711027 /nfs/dbraw/zinc/71/10/27/1067711027.db2.gz JRXJAIUIRNUDQW-RTWAWAEBSA-N 1 1 479.716 3.312 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CC3CC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303179323 1067712820 /nfs/dbraw/zinc/71/28/20/1067712820.db2.gz UFVLHRJOWSEHDL-RTBURBONSA-N 1 1 470.584 3.103 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303179456 1067713775 /nfs/dbraw/zinc/71/37/75/1067713775.db2.gz WFSZEVMIJMGIAX-DHIUTWEWSA-N 1 1 473.687 3.055 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[N@@H+](C)C(C)C)[C@@H](C)C1=O ZINC001303184211 1067717260 /nfs/dbraw/zinc/71/72/60/1067717260.db2.gz KAVBBWZBQYYGDT-FQEVSTJZSA-N 1 1 478.645 3.369 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@]2(O)CC[N@@H+](C)C2)cs1 ZINC001304652710 1067720471 /nfs/dbraw/zinc/72/04/71/1067720471.db2.gz LJIGRJFEMIFMAZ-NRFANRHFSA-N 1 1 480.560 3.356 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C1=O ZINC001303186006 1067721596 /nfs/dbraw/zinc/72/15/96/1067721596.db2.gz SYCKNNXGUIYXJZ-LJQANCHMSA-N 1 1 489.064 3.402 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)[C@H](C)C1=O ZINC001303186006 1067721602 /nfs/dbraw/zinc/72/16/02/1067721602.db2.gz SYCKNNXGUIYXJZ-LJQANCHMSA-N 1 1 489.064 3.402 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001303189269 1067723557 /nfs/dbraw/zinc/72/35/57/1067723557.db2.gz QEUFNGGIRKINHN-OAQYLSRUSA-N 1 1 463.630 3.109 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+](C)Cc2ccccc2)[C@H](C)C1=O ZINC001303189656 1067724262 /nfs/dbraw/zinc/72/42/62/1067724262.db2.gz VBMOFEHSORPXHP-OAQYLSRUSA-N 1 1 463.630 3.109 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCOc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001304660001 1067727753 /nfs/dbraw/zinc/72/77/53/1067727753.db2.gz QZWRWANJQOZIMS-UHFFFAOYSA-N 1 1 483.686 3.175 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCOc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304660001 1067727757 /nfs/dbraw/zinc/72/77/57/1067727757.db2.gz QZWRWANJQOZIMS-UHFFFAOYSA-N 1 1 483.686 3.175 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCOc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001304660001 1067727761 /nfs/dbraw/zinc/72/77/61/1067727761.db2.gz QZWRWANJQOZIMS-UHFFFAOYSA-N 1 1 483.686 3.175 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001304664142 1067730373 /nfs/dbraw/zinc/73/03/73/1067730373.db2.gz RZHGLXAZAAKJCZ-NXMSCROESA-N 1 1 473.691 3.094 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001303196945 1067731523 /nfs/dbraw/zinc/73/15/23/1067731523.db2.gz QNKWUNVESYCPIZ-QFIPXVFZSA-N 1 1 453.660 3.406 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001303197915 1067733005 /nfs/dbraw/zinc/73/30/05/1067733005.db2.gz VLQLKOYLDKATMV-JOCHJYFZSA-N 1 1 470.637 3.433 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCSC(F)(F)F)cs1 ZINC001304666160 1067733237 /nfs/dbraw/zinc/73/32/37/1067733237.db2.gz PJVYDPLOHAYPOU-OAHLLOKOSA-N 1 1 476.594 3.045 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCNC(=O)c2ccccc2F)cs1 ZINC001304667623 1067735449 /nfs/dbraw/zinc/73/54/49/1067735449.db2.gz CDFJEKNZPOQKNB-UHFFFAOYSA-N 1 1 485.633 3.123 20 0 JGADMO Cc1nc(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cs1 ZINC001304667810 1067735805 /nfs/dbraw/zinc/73/58/05/1067735805.db2.gz ITSWGXJWKYRBPF-HXUWFJFHSA-N 1 1 494.731 3.159 20 0 JGADMO Cc1nc(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)cs1 ZINC001304667810 1067735812 /nfs/dbraw/zinc/73/58/12/1067735812.db2.gz ITSWGXJWKYRBPF-HXUWFJFHSA-N 1 1 494.731 3.159 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001303200591 1067736640 /nfs/dbraw/zinc/73/66/40/1067736640.db2.gz CPGAQNVXBMTICG-MSOLQXFVSA-N 1 1 481.439 3.008 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001303202336 1067738636 /nfs/dbraw/zinc/73/86/36/1067738636.db2.gz XFKKKTWKICZQOV-BQFCYCMXSA-N 1 1 481.439 3.006 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001303204001 1067740124 /nfs/dbraw/zinc/74/01/24/1067740124.db2.gz JDIFWDKXVFESPK-QHCPKHFHSA-N 1 1 456.635 3.015 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001303204000 1067740163 /nfs/dbraw/zinc/74/01/63/1067740163.db2.gz JDIFWDKXVFESPK-HSZRJFAPSA-N 1 1 456.635 3.015 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001303204022 1067740178 /nfs/dbraw/zinc/74/01/78/1067740178.db2.gz DNGOOIXFYIFINY-FYYLOGMGSA-N 1 1 497.688 3.074 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001303204201 1067740732 /nfs/dbraw/zinc/74/07/32/1067740732.db2.gz LHIGIILUQJZXLH-NHCUHLMSSA-N 1 1 496.578 3.168 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303204214 1067740768 /nfs/dbraw/zinc/74/07/68/1067740768.db2.gz LNQZDFCRXHZBFN-PMACEKPBSA-N 1 1 466.552 3.399 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H]3CCOC3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303204391 1067741310 /nfs/dbraw/zinc/74/13/10/1067741310.db2.gz IQTMQDMHLPJWQH-OALUTQOASA-N 1 1 459.557 3.308 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CCC(OC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303204776 1067741855 /nfs/dbraw/zinc/74/18/55/1067741855.db2.gz OOZAUFBOEPXIEP-JYFHCDHNSA-N 1 1 493.693 3.069 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C3CCC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001303205029 1067742209 /nfs/dbraw/zinc/74/22/09/1067742209.db2.gz OLBQGWHYPSYCJZ-JBACZVJFSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cccs2)C1 ZINC001303204941 1067742451 /nfs/dbraw/zinc/74/24/51/1067742451.db2.gz PGVVFFAJGHBLGC-GOSISDBHSA-N 1 1 488.683 3.324 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(=O)c4cccc(F)c4)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304673049 1067742463 /nfs/dbraw/zinc/74/24/63/1067742463.db2.gz ISHSMCQOMNBTKA-UHFFFAOYSA-N 1 1 485.633 3.076 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001303205003 1067742501 /nfs/dbraw/zinc/74/25/01/1067742501.db2.gz ODEMFXIEIDUSNM-LEWJYISDSA-N 1 1 456.635 3.481 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001303205529 1067742894 /nfs/dbraw/zinc/74/28/94/1067742894.db2.gz QJJJRGKHJLVTMC-VXKWHMMOSA-N 1 1 476.710 3.212 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC3CC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC001303205599 1067743015 /nfs/dbraw/zinc/74/30/15/1067743015.db2.gz RXUGYFSIXRXLBZ-NRFANRHFSA-N 1 1 475.037 3.316 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)cs1 ZINC001304673316 1067743220 /nfs/dbraw/zinc/74/32/20/1067743220.db2.gz QZHDEVGVXWXFQX-GOSISDBHSA-N 1 1 486.646 3.332 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCSC[C@H]2C)C1 ZINC001303206634 1067744054 /nfs/dbraw/zinc/74/40/54/1067744054.db2.gz VFWWLCVXBXYKCP-AEFFLSMTSA-N 1 1 451.040 3.292 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001303207420 1067745485 /nfs/dbraw/zinc/74/54/85/1067745485.db2.gz VUTINCFOLYZZIW-LJQANCHMSA-N 1 1 473.584 3.261 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001303207419 1067745570 /nfs/dbraw/zinc/74/55/70/1067745570.db2.gz VUTINCFOLYZZIW-IBGZPJMESA-N 1 1 473.584 3.261 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H](C)c2nccs2)cs1 ZINC001304674767 1067745647 /nfs/dbraw/zinc/74/56/47/1067745647.db2.gz VGJWSEYZDOENRG-QGZVFWFLSA-N 1 1 475.688 3.441 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)C1 ZINC001303208056 1067746298 /nfs/dbraw/zinc/74/62/98/1067746298.db2.gz WKMUOMFJVFFITM-UGKGYDQZSA-N 1 1 475.609 3.357 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC001304675721 1067746725 /nfs/dbraw/zinc/74/67/25/1067746725.db2.gz KMYGVIRDVIJRQR-QFIPXVFZSA-N 1 1 489.734 3.159 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001303208842 1067746809 /nfs/dbraw/zinc/74/68/09/1067746809.db2.gz ZCSKEJOKSWQKEC-QHCPKHFHSA-N 1 1 482.673 3.186 20 0 JGADMO CC(C)COC(=O)N1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001303210593 1067748494 /nfs/dbraw/zinc/74/84/94/1067748494.db2.gz OEGKPJXMBWPXOS-QFIPXVFZSA-N 1 1 483.661 3.301 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001303212197 1067749481 /nfs/dbraw/zinc/74/94/81/1067749481.db2.gz APPOCLHKTLSAMA-NHCUHLMSSA-N 1 1 469.634 3.375 20 0 JGADMO Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cs1 ZINC001304678565 1067751163 /nfs/dbraw/zinc/75/11/63/1067751163.db2.gz QGVQYJSBQKPBIO-UHFFFAOYSA-N 1 1 485.633 3.275 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001303213866 1067751353 /nfs/dbraw/zinc/75/13/53/1067751353.db2.gz WOWOTOBOWQMHQB-OAQYLSRUSA-N 1 1 486.665 3.248 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001303214578 1067752029 /nfs/dbraw/zinc/75/20/29/1067752029.db2.gz AMVGEBUCEKMLPN-HSZRJFAPSA-N 1 1 483.661 3.299 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001303216717 1067754092 /nfs/dbraw/zinc/75/40/92/1067754092.db2.gz WORWPGDDGIHWIM-XPWALMASSA-N 1 1 490.693 3.455 20 0 JGADMO CC(C)COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303221123 1067758183 /nfs/dbraw/zinc/75/81/83/1067758183.db2.gz GOKFUHGEPRBHJU-FPOVZHCZSA-N 1 1 454.619 3.172 20 0 JGADMO Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@H+](C(C)C)CC2)cs1 ZINC001304685751 1067758293 /nfs/dbraw/zinc/75/82/93/1067758293.db2.gz HVEWHYAQJSHQBQ-UHFFFAOYSA-N 1 1 473.672 3.198 20 0 JGADMO Cc1nc(CN2CCN(c3nnc(-c4ccccn4)n3CCC[N@H+](C)C(C)C)CC2)cs1 ZINC001304688028 1067760851 /nfs/dbraw/zinc/76/08/51/1067760851.db2.gz OIYVIJANNNKVCP-UHFFFAOYSA-N 1 1 454.648 3.158 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001303224519 1067761197 /nfs/dbraw/zinc/76/11/97/1067761197.db2.gz PVHJLDQEAHERBJ-CVDCTZTESA-N 1 1 451.681 3.035 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001303224521 1067761225 /nfs/dbraw/zinc/76/12/25/1067761225.db2.gz PVHJLDQEAHERBJ-XXBNENTESA-N 1 1 451.681 3.035 20 0 JGADMO Cc1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCCn2cc[nH+]c2C)s1 ZINC001304694357 1067766952 /nfs/dbraw/zinc/76/69/52/1067766952.db2.gz VSESVFIICDJSCU-UHFFFAOYSA-N 1 1 470.628 3.266 20 0 JGADMO CC(C)CSCCCn1c(Cc2ccncc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303243286 1067771465 /nfs/dbraw/zinc/77/14/65/1067771465.db2.gz GIGAKUOWVWTDAG-DEOSSOPVSA-N 1 1 458.676 3.344 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)Cc2ccc(C(N)=O)cc2)cn1 ZINC001304701127 1067771800 /nfs/dbraw/zinc/77/18/00/1067771800.db2.gz BTQZIJSXFWROAU-UHFFFAOYSA-N 1 1 458.570 3.149 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](CC(C)C)C2)cn1 ZINC001304701647 1067772737 /nfs/dbraw/zinc/77/27/37/1067772737.db2.gz HZFNGLSYOXGLOV-LJQANCHMSA-N 1 1 450.591 3.226 20 0 JGADMO Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cn1 ZINC001304701607 1067772788 /nfs/dbraw/zinc/77/27/88/1067772788.db2.gz LHMIRUOWKQKZNX-UHFFFAOYSA-N 1 1 466.634 3.134 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(CC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001304702152 1067773445 /nfs/dbraw/zinc/77/34/45/1067773445.db2.gz BNQCXYBCADPBMS-UHFFFAOYSA-N 1 1 481.620 3.492 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001304702051 1067773492 /nfs/dbraw/zinc/77/34/92/1067773492.db2.gz UAOMAIWHRANBOW-KRWDZBQOSA-N 1 1 456.620 3.196 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Cl)=C(Cl)C2)cn1 ZINC001304702272 1067773621 /nfs/dbraw/zinc/77/36/21/1067773621.db2.gz SPXAOZCFRQPREL-UHFFFAOYSA-N 1 1 475.384 3.253 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(C)C)C2)cc1F ZINC001304702351 1067774015 /nfs/dbraw/zinc/77/40/15/1067774015.db2.gz WQKXQGQOUALBRV-QFBILLFUSA-N 1 1 489.621 3.052 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cccc(F)c2)cn1 ZINC001304702648 1067774923 /nfs/dbraw/zinc/77/49/23/1067774923.db2.gz XISCTWJXYXZJES-UHFFFAOYSA-N 1 1 462.533 3.129 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001304702919 1067775192 /nfs/dbraw/zinc/77/51/92/1067775192.db2.gz LSGVGWFRHXXLLG-YADHBBJMSA-N 1 1 471.650 3.146 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001304703630 1067776023 /nfs/dbraw/zinc/77/60/23/1067776023.db2.gz RUYCCFIGTWIXEK-MJGOQNOKSA-N 1 1 469.556 3.230 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001304704511 1067777240 /nfs/dbraw/zinc/77/72/40/1067777240.db2.gz IMHWPVSGEKGIKU-CJNGLKHVSA-N 1 1 450.360 3.436 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001304704820 1067777672 /nfs/dbraw/zinc/77/76/72/1067777672.db2.gz IWXCLIGMJKVSTJ-UHFFFAOYSA-N 1 1 469.899 3.482 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001304705440 1067778144 /nfs/dbraw/zinc/77/81/44/1067778144.db2.gz QEGYDOJLDYKNTB-CQSZACIVSA-N 1 1 490.381 3.109 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001304705693 1067778153 /nfs/dbraw/zinc/77/81/53/1067778153.db2.gz WJZMCLIJCIMPKH-IBGZPJMESA-N 1 1 475.519 3.435 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Br)nnc1N(C)CC(=O)NC(C)C ZINC001304705782 1067778617 /nfs/dbraw/zinc/77/86/17/1067778617.db2.gz UUOUAJFWGLJAMH-UHFFFAOYSA-N 1 1 474.407 3.264 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304707510 1067779316 /nfs/dbraw/zinc/77/93/16/1067779316.db2.gz LJZXJAGPHUSFMQ-GHTZIAJQSA-N 1 1 480.617 3.209 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)s1 ZINC001304707198 1067779342 /nfs/dbraw/zinc/77/93/42/1067779342.db2.gz IIJRUBVRBMJRGF-UHFFFAOYSA-N 1 1 492.447 3.456 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001304707186 1067779473 /nfs/dbraw/zinc/77/94/73/1067779473.db2.gz HUBZYTOEPWMLQG-XIFFEERXSA-N 1 1 463.611 3.233 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001303254695 1067780097 /nfs/dbraw/zinc/78/00/97/1067780097.db2.gz GVNZQGMRGWOQMO-XMMPIXPASA-N 1 1 474.675 3.040 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001304709136 1067780257 /nfs/dbraw/zinc/78/02/57/1067780257.db2.gz KSIRHKRYEDTBIV-UHFFFAOYSA-N 1 1 467.593 3.298 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 ZINC001303254888 1067780443 /nfs/dbraw/zinc/78/04/43/1067780443.db2.gz OHXPATUWYYABEX-UHFFFAOYSA-N 1 1 489.045 3.117 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001304709840 1067780604 /nfs/dbraw/zinc/78/06/04/1067780604.db2.gz YWGGSBUROCFMAE-OAQYLSRUSA-N 1 1 456.566 3.233 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001304710160 1067781035 /nfs/dbraw/zinc/78/10/35/1067781035.db2.gz FHPYTXXPVFPSSL-XHVUARLKSA-N 1 1 463.611 3.404 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(F)(F)F ZINC001303255181 1067781307 /nfs/dbraw/zinc/78/13/07/1067781307.db2.gz YDBSWWWPMDGYIT-SFHVURJKSA-N 1 1 473.565 3.067 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccn2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001304711787 1067782489 /nfs/dbraw/zinc/78/24/89/1067782489.db2.gz FKIZZQGOQSETED-IBGZPJMESA-N 1 1 468.606 3.324 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001304711804 1067782983 /nfs/dbraw/zinc/78/29/83/1067782983.db2.gz FWMGRZGBBZYHIF-HNNXBMFYSA-N 1 1 490.381 3.144 20 0 JGADMO Cc1nccnc1N1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C(C)C)CC1 ZINC001304711847 1067782993 /nfs/dbraw/zinc/78/29/93/1067782993.db2.gz GBJRLFFLUHXYLK-UHFFFAOYSA-N 1 1 499.461 3.473 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001303256785 1067783873 /nfs/dbraw/zinc/78/38/73/1067783873.db2.gz CUFAOORPWCYKAN-JOCHJYFZSA-N 1 1 468.646 3.062 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001304712901 1067784114 /nfs/dbraw/zinc/78/41/14/1067784114.db2.gz AWWKAMAIXJIDCG-QFIPXVFZSA-N 1 1 493.656 3.483 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2COCCO2)CC1 ZINC001303257627 1067784469 /nfs/dbraw/zinc/78/44/69/1067784469.db2.gz WYDKQTSGZVWREW-LJQANCHMSA-N 1 1 495.466 3.398 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001303261324 1067787096 /nfs/dbraw/zinc/78/70/96/1067787096.db2.gz FCXQWHODYYBBID-XLIONFOSSA-N 1 1 476.572 3.239 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001304715883 1067787247 /nfs/dbraw/zinc/78/72/47/1067787247.db2.gz UGQNIKIPGYURJH-QFIPXVFZSA-N 1 1 478.645 3.068 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1 ZINC001303261441 1067787330 /nfs/dbraw/zinc/78/73/30/1067787330.db2.gz IHNZNLASGTVPPM-UHFFFAOYSA-N 1 1 465.689 3.411 20 0 JGADMO Cc1nccnc1CCn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304716339 1067787839 /nfs/dbraw/zinc/78/78/39/1067787839.db2.gz VAXYIAMHFNLSOU-SANMLTNESA-N 1 1 485.677 3.216 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2)CC1 ZINC001303261629 1067788014 /nfs/dbraw/zinc/78/80/14/1067788014.db2.gz PXKMGQBMYYVXIV-UHFFFAOYSA-N 1 1 456.610 3.339 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001303261699 1067788601 /nfs/dbraw/zinc/78/86/01/1067788601.db2.gz SKQNOSXMSXROOD-NHCUHLMSSA-N 1 1 484.636 3.042 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001304716706 1067788787 /nfs/dbraw/zinc/78/87/87/1067788787.db2.gz YENGPIACERTOSG-UHFFFAOYSA-N 1 1 489.546 3.163 20 0 JGADMO Cc1nccnc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304716867 1067789127 /nfs/dbraw/zinc/78/91/27/1067789127.db2.gz BTFCZSCGTHESGQ-SVFBPWRDSA-N 1 1 497.619 3.444 20 0 JGADMO Cc1nccnc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304716867 1067789138 /nfs/dbraw/zinc/78/91/38/1067789138.db2.gz BTFCZSCGTHESGQ-SVFBPWRDSA-N 1 1 497.619 3.444 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccnc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304719272 1067790471 /nfs/dbraw/zinc/79/04/71/1067790471.db2.gz JXDSTYKMARGQGD-HDICACEKSA-N 1 1 466.634 3.215 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001303263785 1067791209 /nfs/dbraw/zinc/79/12/09/1067791209.db2.gz FABVRFAEUYKOLE-QZTJIDSGSA-N 1 1 489.690 3.291 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001303263990 1067791443 /nfs/dbraw/zinc/79/14/43/1067791443.db2.gz SMLZNCLCKVDCGS-UHFFFAOYSA-N 1 1 478.645 3.055 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001303264471 1067791647 /nfs/dbraw/zinc/79/16/47/1067791647.db2.gz BVHKNTOWXUIVFX-VQTJNVASSA-N 1 1 464.655 3.348 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001304721564 1067792750 /nfs/dbraw/zinc/79/27/50/1067792750.db2.gz LVLNBFFXDQDVTH-IBGZPJMESA-N 1 1 484.693 3.296 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001303266354 1067793289 /nfs/dbraw/zinc/79/32/89/1067793289.db2.gz PKDIZXHMYNUMAL-UHFFFAOYSA-N 1 1 453.635 3.092 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001303266368 1067793316 /nfs/dbraw/zinc/79/33/16/1067793316.db2.gz PPSKONJLKKDQIV-RUZDIDTESA-N 1 1 458.626 3.039 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001303266416 1067793766 /nfs/dbraw/zinc/79/37/66/1067793766.db2.gz QAZBMGCMMMUWPY-UHFFFAOYSA-N 1 1 473.641 3.368 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001303266471 1067793836 /nfs/dbraw/zinc/79/38/36/1067793836.db2.gz QRWLTFXSEFRVSH-OALUTQOASA-N 1 1 450.628 3.353 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001303267777 1067794847 /nfs/dbraw/zinc/79/48/47/1067794847.db2.gz IQODSBQQHOJYNO-MRXNPFEDSA-N 1 1 454.591 3.481 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001304723334 1067794962 /nfs/dbraw/zinc/79/49/62/1067794962.db2.gz YJGXBQCKWFYDLZ-DEOSSOPVSA-N 1 1 475.707 3.061 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001303267778 1067795434 /nfs/dbraw/zinc/79/54/34/1067795434.db2.gz ITEZSEYCWBINEL-FQEVSTJZSA-N 1 1 457.623 3.098 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001303268163 1067795696 /nfs/dbraw/zinc/79/56/96/1067795696.db2.gz BWDZARDFEMTCMX-CPJSRVTESA-N 1 1 492.665 3.076 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1Cc2ccc(Br)cc2C1 ZINC001303268261 1067796016 /nfs/dbraw/zinc/79/60/16/1067796016.db2.gz OXOXZWUDQGOFDG-UHFFFAOYSA-N 1 1 475.435 3.414 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001303268507 1067796407 /nfs/dbraw/zinc/79/64/07/1067796407.db2.gz IEOPEWUUCFTVBR-OHUGHZGNSA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001303268644 1067796970 /nfs/dbraw/zinc/79/69/70/1067796970.db2.gz KNFSETPJMKIDHH-UHFFFAOYSA-N 1 1 481.626 3.426 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001303268791 1067797489 /nfs/dbraw/zinc/79/74/89/1067797489.db2.gz MQRMZHBWKKARFE-UHFFFAOYSA-N 1 1 499.063 3.319 20 0 JGADMO CC(C)[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001303269268 1067797998 /nfs/dbraw/zinc/79/79/98/1067797998.db2.gz WEXVSLMYIVBOAD-MDNUFGMLSA-N 1 1 472.682 3.113 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001303269268 1067798006 /nfs/dbraw/zinc/79/80/06/1067798006.db2.gz WEXVSLMYIVBOAD-MDNUFGMLSA-N 1 1 472.682 3.113 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001303269415 1067798267 /nfs/dbraw/zinc/79/82/67/1067798267.db2.gz XUACLEPCPLNMKN-KRWDZBQOSA-N 1 1 463.026 3.205 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001303269339 1067798383 /nfs/dbraw/zinc/79/83/83/1067798383.db2.gz YHUXOKASZWXLQY-HXUWFJFHSA-N 1 1 471.650 3.345 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2CCCCO2)CC1 ZINC001304726586 1067799095 /nfs/dbraw/zinc/79/90/95/1067799095.db2.gz XZMHKJRABFEHBC-OAQYLSRUSA-N 1 1 457.667 3.498 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCSC(C)C)CC1 ZINC001304726637 1067799358 /nfs/dbraw/zinc/79/93/58/1067799358.db2.gz ZFSVTXGKNCXRBF-OAQYLSRUSA-N 1 1 461.680 3.334 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001303271391 1067799925 /nfs/dbraw/zinc/79/99/25/1067799925.db2.gz NTZMAVCPXDEQHU-GOSISDBHSA-N 1 1 486.617 3.365 20 0 JGADMO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001303271230 1067800022 /nfs/dbraw/zinc/80/00/22/1067800022.db2.gz OVFZVMHSHPZFTP-QFIPXVFZSA-N 1 1 484.048 3.189 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001303271230 1067800033 /nfs/dbraw/zinc/80/00/33/1067800033.db2.gz OVFZVMHSHPZFTP-QFIPXVFZSA-N 1 1 484.048 3.189 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001303271240 1067800062 /nfs/dbraw/zinc/80/00/62/1067800062.db2.gz OZQATNNTXTZMAY-HNNXBMFYSA-N 1 1 460.431 3.215 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303271332 1067800170 /nfs/dbraw/zinc/80/01/70/1067800170.db2.gz QIDGROMIMOHNLO-LJQANCHMSA-N 1 1 459.616 3.435 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 ZINC001303271681 1067800675 /nfs/dbraw/zinc/80/06/75/1067800675.db2.gz RSCFQRCTECXCSZ-UHFFFAOYSA-N 1 1 472.037 3.468 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCS(C)(=O)=O ZINC001303271805 1067801229 /nfs/dbraw/zinc/80/12/29/1067801229.db2.gz WITFYUGHTNZFBX-UHFFFAOYSA-N 1 1 453.678 3.097 20 0 JGADMO Cc1cc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n(C)n1 ZINC001304729935 1067801563 /nfs/dbraw/zinc/80/15/63/1067801563.db2.gz NSXHHVAFRRFGKJ-UHFFFAOYSA-N 1 1 455.582 3.397 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001303275535 1067802935 /nfs/dbraw/zinc/80/29/35/1067802935.db2.gz COBNGUFGVFSLPA-IBGZPJMESA-N 1 1 450.628 3.163 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001303276131 1067803788 /nfs/dbraw/zinc/80/37/88/1067803788.db2.gz JQVZTWMYZBYVHW-NRFANRHFSA-N 1 1 475.037 3.476 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001303276279 1067803855 /nfs/dbraw/zinc/80/38/55/1067803855.db2.gz DWSYTEVZMYFVJC-UHFFFAOYSA-N 1 1 455.994 3.332 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001303277944 1067805222 /nfs/dbraw/zinc/80/52/22/1067805222.db2.gz YABLFNJDGLALFP-UHFFFAOYSA-N 1 1 479.604 3.096 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001303277805 1067805295 /nfs/dbraw/zinc/80/52/95/1067805295.db2.gz VHAUGXMIHSEBTB-UHFFFAOYSA-N 1 1 475.641 3.345 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001303278071 1067805550 /nfs/dbraw/zinc/80/55/50/1067805550.db2.gz YKOYMRVMJXGGIN-ROUUACIJSA-N 1 1 476.025 3.026 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001303278640 1067807058 /nfs/dbraw/zinc/80/70/58/1067807058.db2.gz LTRICUAPEDXTBG-CIAFKFPVSA-N 1 1 464.699 3.082 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001303278906 1067807673 /nfs/dbraw/zinc/80/76/73/1067807673.db2.gz UROVDTFSPLGAQL-GOSISDBHSA-N 1 1 461.010 3.052 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(F)cc2C1 ZINC001303278686 1067808032 /nfs/dbraw/zinc/80/80/32/1067808032.db2.gz NBLNFFVBABSDQI-UHFFFAOYSA-N 1 1 456.591 3.312 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001303278979 1067808529 /nfs/dbraw/zinc/80/85/29/1067808529.db2.gz XLUVQRDOGWAUMC-DHIUTWEWSA-N 1 1 498.672 3.205 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001304743475 1067821044 /nfs/dbraw/zinc/82/10/44/1067821044.db2.gz LPAGIBHCFXPKBZ-UHFFFAOYSA-N 1 1 455.582 3.026 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001304743475 1067821058 /nfs/dbraw/zinc/82/10/58/1067821058.db2.gz LPAGIBHCFXPKBZ-UHFFFAOYSA-N 1 1 455.582 3.026 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001304746376 1067826183 /nfs/dbraw/zinc/82/61/83/1067826183.db2.gz RNRXHOJWYUZQBW-UHFFFAOYSA-N 1 1 465.646 3.320 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001304746376 1067826190 /nfs/dbraw/zinc/82/61/90/1067826190.db2.gz RNRXHOJWYUZQBW-UHFFFAOYSA-N 1 1 465.646 3.320 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304747355 1067826224 /nfs/dbraw/zinc/82/62/24/1067826224.db2.gz AFUXXVDCYVCXLD-IFMALSPDSA-N 1 1 484.693 3.001 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001303302914 1067827703 /nfs/dbraw/zinc/82/77/03/1067827703.db2.gz CEJIQHCCMUMHGW-ZWKOTPCHSA-N 1 1 467.540 3.403 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001303303492 1067829099 /nfs/dbraw/zinc/82/90/99/1067829099.db2.gz WOZBOEDVEFHVIW-MSOLQXFVSA-N 1 1 489.462 3.495 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(N3CCN(CC(=O)NCc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303304270 1067830638 /nfs/dbraw/zinc/83/06/38/1067830638.db2.gz FQHJMEXMWVQTRM-DEOSSOPVSA-N 1 1 495.716 3.134 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303304500 1067831193 /nfs/dbraw/zinc/83/11/93/1067831193.db2.gz HSLWCORINAJKIF-RTWAWAEBSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304296 1067831459 /nfs/dbraw/zinc/83/14/59/1067831459.db2.gz NCGYNCQEWZRRRJ-OALUTQOASA-N 1 1 481.613 3.215 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(F)cn2)n1 ZINC001304751989 1067832041 /nfs/dbraw/zinc/83/20/41/1067832041.db2.gz NXEPOKGEBCWSAS-UHFFFAOYSA-N 1 1 454.598 3.279 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001303305016 1067832741 /nfs/dbraw/zinc/83/27/41/1067832741.db2.gz QJOSEZLBLKAVJF-UNMCSNQZSA-N 1 1 460.667 3.035 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001303305015 1067832903 /nfs/dbraw/zinc/83/29/03/1067832903.db2.gz QJOSEZLBLKAVJF-RBBKRZOGSA-N 1 1 460.667 3.035 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001303305785 1067833957 /nfs/dbraw/zinc/83/39/57/1067833957.db2.gz WBJBKYRPEYBRRU-BPJXYHRLSA-N 1 1 467.643 3.229 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001303305998 1067834469 /nfs/dbraw/zinc/83/44/69/1067834469.db2.gz XSDDASDUXMWBHC-QGZVFWFLSA-N 1 1 471.547 3.416 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001303306134 1067834611 /nfs/dbraw/zinc/83/46/11/1067834611.db2.gz ZBUAFUGLSWVFGQ-PMACEKPBSA-N 1 1 497.669 3.456 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001303306143 1067834872 /nfs/dbraw/zinc/83/48/72/1067834872.db2.gz ZDENWPCQSWGQQX-UXHICEINSA-N 1 1 476.666 3.396 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001303307657 1067835544 /nfs/dbraw/zinc/83/55/44/1067835544.db2.gz GOECZPVLBLCGFU-UHFFFAOYSA-N 1 1 496.475 3.205 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001303308077 1067836407 /nfs/dbraw/zinc/83/64/07/1067836407.db2.gz QEFPAJPTNWTFPQ-UHFFFAOYSA-N 1 1 466.051 3.344 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001303308243 1067836465 /nfs/dbraw/zinc/83/64/65/1067836465.db2.gz UTESFNHRXOBPND-SFHVURJKSA-N 1 1 466.051 3.344 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001303310505 1067839062 /nfs/dbraw/zinc/83/90/62/1067839062.db2.gz NCEUQQVZDNIYCA-PWRODBHTSA-N 1 1 495.734 3.331 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001304755837 1067839241 /nfs/dbraw/zinc/83/92/41/1067839241.db2.gz HBJKZRZDAWHYSM-BJKOFHAPSA-N 1 1 498.720 3.249 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001304755838 1067839345 /nfs/dbraw/zinc/83/93/45/1067839345.db2.gz HBJKZRZDAWHYSM-DNQXCXABSA-N 1 1 498.720 3.249 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303311236 1067840398 /nfs/dbraw/zinc/84/03/98/1067840398.db2.gz XFFRTYHYBYKBBY-HXUWFJFHSA-N 1 1 486.665 3.246 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCCN(C(=O)CC4CCCC4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304758239 1067842515 /nfs/dbraw/zinc/84/25/15/1067842515.db2.gz CREFIEONNGBIGA-UHFFFAOYSA-N 1 1 498.720 3.489 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(=O)N(C)C2CCCCC2)n1 ZINC001304759302 1067844344 /nfs/dbraw/zinc/84/43/44/1067844344.db2.gz KKRFGCUHNPTJTK-UHFFFAOYSA-N 1 1 484.693 3.241 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)c4ccsc4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304760083 1067845949 /nfs/dbraw/zinc/84/59/49/1067845949.db2.gz OJQVEDHZRPUKFA-NRFANRHFSA-N 1 1 470.691 3.425 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCn2cc(Cl)cn2)n1 ZINC001304760351 1067846789 /nfs/dbraw/zinc/84/67/89/1067846789.db2.gz RKNQEBCMUFDFKD-UHFFFAOYSA-N 1 1 460.030 3.000 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(Cc4cccnc4)n3CCCC(C)(C)C)CC2)C1 ZINC001303317945 1067848170 /nfs/dbraw/zinc/84/81/70/1067848170.db2.gz FZOMMWQISIOMQZ-XMMPIXPASA-N 1 1 483.705 3.321 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(F)(F)F)CC2)C1 ZINC001303318163 1067848525 /nfs/dbraw/zinc/84/85/25/1067848525.db2.gz JQNWVDOQBQCJOP-IBGZPJMESA-N 1 1 486.970 3.392 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CC(F)(F)F)n1 ZINC001304762622 1067850027 /nfs/dbraw/zinc/85/00/27/1067850027.db2.gz DAHHPLKJQZBDOB-UHFFFAOYSA-N 1 1 451.472 3.163 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303324562 1067853440 /nfs/dbraw/zinc/85/34/40/1067853440.db2.gz ONNCHEPNBPIBRV-IIABOOAYSA-N 1 1 483.642 3.125 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCOC[C@@H]3C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304765169 1067854570 /nfs/dbraw/zinc/85/45/70/1067854570.db2.gz ZJLQNLDMTJWDBY-IRLDBZIGSA-N 1 1 451.619 3.275 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCOC[C@@H]3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304765173 1067854589 /nfs/dbraw/zinc/85/45/89/1067854589.db2.gz ZJLQNLDMTJWDBY-UNMCSNQZSA-N 1 1 451.619 3.275 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303325241 1067854521 /nfs/dbraw/zinc/85/45/21/1067854521.db2.gz QVHJHEGOSFDPFS-IBGZPJMESA-N 1 1 473.641 3.026 20 0 JGADMO Cc1cc(C)n(CC2CCN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001304766384 1067856576 /nfs/dbraw/zinc/85/65/76/1067856576.db2.gz BYQMGGFBWQPPLQ-UHFFFAOYSA-N 1 1 450.635 3.334 20 0 JGADMO Cc1cc(C)n(CCCn2c(-c3cnccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001304770276 1067861537 /nfs/dbraw/zinc/86/15/37/1067861537.db2.gz ATCZZYITBPDCIP-UHFFFAOYSA-N 1 1 451.623 3.195 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)s2)n1CC[N@@H+]1CC=CCC1 ZINC001303331599 1067861697 /nfs/dbraw/zinc/86/16/97/1067861697.db2.gz NVZUBLZQSPTNOH-UHFFFAOYSA-N 1 1 467.437 3.139 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001303331621 1067861772 /nfs/dbraw/zinc/86/17/72/1067861772.db2.gz OQILHEAMGNLAGR-OAQYLSRUSA-N 1 1 495.672 3.065 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303335585 1067865136 /nfs/dbraw/zinc/86/51/36/1067865136.db2.gz QIRJGWWUWFMXQA-HXUWFJFHSA-N 1 1 490.656 3.413 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303335583 1067865171 /nfs/dbraw/zinc/86/51/71/1067865171.db2.gz QIRJGWWUWFMXQA-FQEVSTJZSA-N 1 1 490.656 3.413 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001303337204 1067867081 /nfs/dbraw/zinc/86/70/81/1067867081.db2.gz NBAJPNRCHYXNFH-ZJSXRUAMSA-N 1 1 480.657 3.214 20 0 JGADMO Cc1nnc([C@H]2CN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001304774414 1067867549 /nfs/dbraw/zinc/86/75/49/1067867549.db2.gz KGNQZFPVWPQPLG-OXQOHEQNSA-N 1 1 473.553 3.167 20 0 JGADMO Cc1nnc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)o1 ZINC001304776228 1067870462 /nfs/dbraw/zinc/87/04/62/1067870462.db2.gz XNHBCCXSTAUPFL-ZIFCJYIRSA-N 1 1 475.638 3.024 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCO2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001303342231 1067870854 /nfs/dbraw/zinc/87/08/54/1067870854.db2.gz NXUDGRMFQXFZGC-DHIUTWEWSA-N 1 1 468.646 3.334 20 0 JGADMO Cc1nnc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001304778115 1067873366 /nfs/dbraw/zinc/87/33/66/1067873366.db2.gz DNRPYAWRFADSGD-UHFFFAOYSA-N 1 1 482.658 3.470 20 0 JGADMO CC(C)NC(=O)c1nnc(N(CCC(F)(F)F)CC2CC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001303347421 1067874276 /nfs/dbraw/zinc/87/42/76/1067874276.db2.gz MTZHCZFQWFMQTG-MRXNPFEDSA-N 1 1 453.513 3.044 20 0 JGADMO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303348021 1067875302 /nfs/dbraw/zinc/87/53/02/1067875302.db2.gz WPTRXRYJTJDZLF-SFHVURJKSA-N 1 1 460.648 3.148 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303352709 1067879453 /nfs/dbraw/zinc/87/94/53/1067879453.db2.gz JPSSYWIOEUAGPC-URXFXBBRSA-N 1 1 481.689 3.072 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303355198 1067883044 /nfs/dbraw/zinc/88/30/44/1067883044.db2.gz LYKSGSIWSIUCRJ-NRFANRHFSA-N 1 1 495.672 3.028 20 0 JGADMO Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001304805331 1067886704 /nfs/dbraw/zinc/88/67/04/1067886704.db2.gz SOOZOTGXULDKKH-HNNXBMFYSA-N 1 1 463.355 3.261 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCC1CCOCC1 ZINC001303360009 1067887824 /nfs/dbraw/zinc/88/78/24/1067887824.db2.gz JMVSEXBSDJUZPX-NRFANRHFSA-N 1 1 468.646 3.334 20 0 JGADMO Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001304811841 1067888370 /nfs/dbraw/zinc/88/83/70/1067888370.db2.gz JXAYGMXNRXHJDA-UIFIKXQLSA-N 1 1 478.563 3.392 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303364645 1067891793 /nfs/dbraw/zinc/89/17/93/1067891793.db2.gz LTEDMOYKTCBOBP-UHFFFAOYSA-N 1 1 459.664 3.379 20 0 JGADMO Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001304821908 1067892033 /nfs/dbraw/zinc/89/20/33/1067892033.db2.gz GLNKOYSDFRJXCI-LPHOPBHVSA-N 1 1 452.372 3.218 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1cccc(N(C)C)c1 ZINC001303365756 1067892705 /nfs/dbraw/zinc/89/27/05/1067892705.db2.gz DEFOBRHSDNHDGP-UHFFFAOYSA-N 1 1 455.651 3.087 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1Cc1nccs1 ZINC001303365836 1067893231 /nfs/dbraw/zinc/89/32/31/1067893231.db2.gz FYMIACITRBCRPS-UHFFFAOYSA-N 1 1 467.643 3.270 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H](C)N1CCc2ccccc21 ZINC001303366050 1067893831 /nfs/dbraw/zinc/89/38/31/1067893831.db2.gz JGIGGAXCPHQIGZ-NRFANRHFSA-N 1 1 481.689 3.424 20 0 JGADMO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCCN(C)c1ccccc1 ZINC001304825449 1067894763 /nfs/dbraw/zinc/89/47/63/1067894763.db2.gz LXKQQNCRZSVEDK-UHFFFAOYSA-N 1 1 453.679 3.498 20 0 JGADMO Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001304827308 1067895475 /nfs/dbraw/zinc/89/54/75/1067895475.db2.gz VPCFURBJFHERKP-QHCPKHFHSA-N 1 1 484.645 3.371 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1ccc(Cl)cc1 ZINC001303366970 1067896080 /nfs/dbraw/zinc/89/60/80/1067896080.db2.gz FVIAKRMTIOFECO-KDURUIRLSA-N 1 1 489.064 3.444 20 0 JGADMO Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001304837065 1067898008 /nfs/dbraw/zinc/89/80/08/1067898008.db2.gz FSCDJVSHFGBMLM-XZOQPEGZSA-N 1 1 484.645 3.229 20 0 JGADMO Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001304837065 1067898020 /nfs/dbraw/zinc/89/80/20/1067898020.db2.gz FSCDJVSHFGBMLM-XZOQPEGZSA-N 1 1 484.645 3.229 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001303369705 1067899303 /nfs/dbraw/zinc/89/93/03/1067899303.db2.gz RCGXXXKKISFFHM-XJUOHMSHSA-N 1 1 468.646 3.332 20 0 JGADMO Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001304839780 1067899422 /nfs/dbraw/zinc/89/94/22/1067899422.db2.gz POQDIMOOJQXNSM-KNQAVFIVSA-N 1 1 456.610 3.175 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001303369704 1067899388 /nfs/dbraw/zinc/89/93/88/1067899388.db2.gz RCGXXXKKISFFHM-GIWBLDEGSA-N 1 1 468.646 3.332 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@](C)(O)c1cccs1 ZINC001303370051 1067899751 /nfs/dbraw/zinc/89/97/51/1067899751.db2.gz WDMZKYUJDALDCP-CPJSRVTESA-N 1 1 482.654 3.096 20 0 JGADMO Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001304839776 1067899630 /nfs/dbraw/zinc/89/96/30/1067899630.db2.gz POQDIMOOJQXNSM-DENIHFKCSA-N 1 1 456.610 3.175 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@](C)(O)c1cccs1 ZINC001303370053 1067900068 /nfs/dbraw/zinc/90/00/68/1067900068.db2.gz WDMZKYUJDALDCP-NLFFAJNJSA-N 1 1 482.654 3.096 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001303370286 1067900164 /nfs/dbraw/zinc/90/01/64/1067900164.db2.gz WYVARWZEVLYOGQ-MQFRRQCYSA-N 1 1 468.646 3.331 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1CCOc1ncccc1Cl ZINC001303370469 1067900374 /nfs/dbraw/zinc/90/03/74/1067900374.db2.gz ZGHPBANGJHXTCD-HXUWFJFHSA-N 1 1 498.031 3.254 20 0 JGADMO Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001304847204 1067902158 /nfs/dbraw/zinc/90/21/58/1067902158.db2.gz ITXZMLGNZAEFOY-PKTZIBPZSA-N 1 1 484.645 3.085 20 0 JGADMO Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304849516 1067903206 /nfs/dbraw/zinc/90/32/06/1067903206.db2.gz ZCHSSGALBBVVGJ-HDICACEKSA-N 1 1 475.037 3.090 20 0 JGADMO Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001304852039 1067904776 /nfs/dbraw/zinc/90/47/76/1067904776.db2.gz QMFYTCJYQHDTFJ-SFHVURJKSA-N 1 1 468.627 3.047 20 0 JGADMO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001304852014 1067904781 /nfs/dbraw/zinc/90/47/81/1067904781.db2.gz QBMANQFIIBWTPY-NRFANRHFSA-N 1 1 481.689 3.044 20 0 JGADMO Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001304853368 1067905443 /nfs/dbraw/zinc/90/54/43/1067905443.db2.gz UKLMAQFPMBDTGX-FPOVZHCZSA-N 1 1 458.655 3.344 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001304857990 1067907628 /nfs/dbraw/zinc/90/76/28/1067907628.db2.gz DYZDUZUKBVYBIX-UFYCRDLUSA-N 1 1 467.536 3.442 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC=C(Br)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303382331 1067911446 /nfs/dbraw/zinc/91/14/46/1067911446.db2.gz UJRBUUTXUABIKY-KRWDZBQOSA-N 1 1 487.446 3.352 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001303386829 1067914213 /nfs/dbraw/zinc/91/42/13/1067914213.db2.gz AKJZAKAUTOMDSP-DFIYOIEZSA-N 1 1 488.702 3.476 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001304872606 1067914888 /nfs/dbraw/zinc/91/48/88/1067914888.db2.gz RGODMCGSRLFDPZ-RTBURBONSA-N 1 1 458.655 3.487 20 0 JGADMO Cc1noc(C)c1[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304873302 1067915668 /nfs/dbraw/zinc/91/56/68/1067915668.db2.gz HMMHDUIKEXGINV-GHTZIAJQSA-N 1 1 474.650 3.375 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2C(C)C)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001303387786 1067916061 /nfs/dbraw/zinc/91/60/61/1067916061.db2.gz DITJSRJANKRPAG-DHIUTWEWSA-N 1 1 468.646 3.046 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1Cc1cccc(CO)c1 ZINC001303387823 1067916145 /nfs/dbraw/zinc/91/61/45/1067916145.db2.gz HGMZCKDZEQECBR-NZQKXSOJSA-N 1 1 468.646 3.048 20 0 JGADMO C[NH+](C)[C@@H](C(=O)N[C@@H](CO)c1ccccc1I)c1ccc(Cl)cc1 ZINC001304874393 1067917196 /nfs/dbraw/zinc/91/71/96/1067917196.db2.gz CDDFMYKLWSCEIJ-DLBZAZTESA-N 1 1 458.727 3.397 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303389751 1067918805 /nfs/dbraw/zinc/91/88/05/1067918805.db2.gz WICPNODRUOVPKX-DHIUTWEWSA-N 1 1 468.646 3.191 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+](C)C3CCCC3)CC2)n1 ZINC001304875519 1067919487 /nfs/dbraw/zinc/91/94/87/1067919487.db2.gz NMPLXLSZTIXSPK-GOSISDBHSA-N 1 1 458.655 3.316 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC001304876073 1067919914 /nfs/dbraw/zinc/91/99/14/1067919914.db2.gz QAXOCXLNSFZUGT-FPOVZHCZSA-N 1 1 458.655 3.172 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(Cc4ccccc4F)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001304876105 1067920243 /nfs/dbraw/zinc/92/02/43/1067920243.db2.gz QISFBPPQPCYJCW-LJQANCHMSA-N 1 1 484.624 3.313 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303391075 1067920594 /nfs/dbraw/zinc/92/05/94/1067920594.db2.gz BMTDQURCDSTQJW-ICSRJNTNSA-N 1 1 460.648 3.320 20 0 JGADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCOCC1 ZINC001303393284 1067921840 /nfs/dbraw/zinc/92/18/40/1067921840.db2.gz RXBJYBWMYDRQLE-QFIPXVFZSA-N 1 1 455.986 3.490 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001303396936 1067925574 /nfs/dbraw/zinc/92/55/74/1067925574.db2.gz YQDJFBMUVNMBIC-UHFFFAOYSA-N 1 1 485.652 3.142 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001303396936 1067925579 /nfs/dbraw/zinc/92/55/79/1067925579.db2.gz YQDJFBMUVNMBIC-UHFFFAOYSA-N 1 1 485.652 3.142 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001303397219 1067925734 /nfs/dbraw/zinc/92/57/34/1067925734.db2.gz FWAPKUSQOPDXRO-OALUTQOASA-N 1 1 496.582 3.156 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303397447 1067925956 /nfs/dbraw/zinc/92/59/56/1067925956.db2.gz JZMXNVZOOZWKTD-UHFFFAOYSA-N 1 1 499.679 3.390 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCCNc1ccccn1 ZINC001303398203 1067926778 /nfs/dbraw/zinc/92/67/78/1067926778.db2.gz OLKGTYMMAJCPQC-UHFFFAOYSA-N 1 1 494.619 3.165 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001303399335 1067927565 /nfs/dbraw/zinc/92/75/65/1067927565.db2.gz ZXMOGEUYFKIASZ-HXUWFJFHSA-N 1 1 499.660 3.042 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001303398965 1067927602 /nfs/dbraw/zinc/92/76/02/1067927602.db2.gz UVYQHEDLUPYYDF-XMMPIXPASA-N 1 1 456.660 3.414 20 0 JGADMO Cc1noc(C)c1Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304887473 1067931192 /nfs/dbraw/zinc/93/11/92/1067931192.db2.gz JUGYFOKWKPSDAQ-UHFFFAOYSA-N 1 1 456.566 3.208 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC001304887897 1067931929 /nfs/dbraw/zinc/93/19/29/1067931929.db2.gz FKWXLYXNEPHCDJ-IBGZPJMESA-N 1 1 486.665 3.320 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccc(Cl)cc1 ZINC001303405265 1067933716 /nfs/dbraw/zinc/93/37/16/1067933716.db2.gz NQTCAFOQMLCCCI-GOSISDBHSA-N 1 1 475.037 3.002 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C/C=C\c1ccccc1 ZINC001303410581 1067936967 /nfs/dbraw/zinc/93/69/67/1067936967.db2.gz VJKWPEAXLNWPTL-FZHDGDSDSA-N 1 1 479.673 3.125 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001303410835 1067937272 /nfs/dbraw/zinc/93/72/72/1067937272.db2.gz ZRPPHSBKYOJSLH-BJKOFHAPSA-N 1 1 498.672 3.131 20 0 JGADMO Cc1noc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC001304892810 1067937484 /nfs/dbraw/zinc/93/74/84/1067937484.db2.gz UGMFZYXWUMFPPJ-LJQANCHMSA-N 1 1 486.665 3.221 20 0 JGADMO COc1cc(Br)cc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001303413294 1067939105 /nfs/dbraw/zinc/93/91/05/1067939105.db2.gz VCRFODNTPGPJRZ-UHFFFAOYSA-N 1 1 456.381 3.017 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303414628 1067941511 /nfs/dbraw/zinc/94/15/11/1067941511.db2.gz MITZJANSDYGHLF-TZIWHRDSSA-N 1 1 470.549 3.029 20 0 JGADMO Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001304898673 1067942370 /nfs/dbraw/zinc/94/23/70/1067942370.db2.gz ZUUQWDRZXRNOCY-CEXWTWQISA-N 1 1 472.565 3.447 20 0 JGADMO Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001304898673 1067942375 /nfs/dbraw/zinc/94/23/75/1067942375.db2.gz ZUUQWDRZXRNOCY-CEXWTWQISA-N 1 1 472.565 3.447 20 0 JGADMO Cc1cc(Cn2c(CC(C)C)nnc2N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)on1 ZINC001304899355 1067943228 /nfs/dbraw/zinc/94/32/28/1067943228.db2.gz CDWWHWUQXSIXSQ-UHFFFAOYSA-N 1 1 451.619 3.075 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303421143 1067946899 /nfs/dbraw/zinc/94/68/99/1067946899.db2.gz ORSNXLRRQLPZRX-NQSCKRDGSA-N 1 1 484.576 3.418 20 0 JGADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001304902795 1067947358 /nfs/dbraw/zinc/94/73/58/1067947358.db2.gz AUCCXARRFZRQKH-NZQKXSOJSA-N 1 1 482.673 3.146 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001304906716 1067950619 /nfs/dbraw/zinc/95/06/19/1067950619.db2.gz SZPBECLAHPCKNL-QGZVFWFLSA-N 1 1 460.026 3.315 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001303427015 1067952030 /nfs/dbraw/zinc/95/20/30/1067952030.db2.gz FKHUNHPQRBNTLD-UHFFFAOYSA-N 1 1 456.591 3.383 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001303426978 1067952050 /nfs/dbraw/zinc/95/20/50/1067952050.db2.gz DHMRBHQYJAXCCY-UHFFFAOYSA-N 1 1 465.577 3.106 20 0 JGADMO CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304911923 1067955641 /nfs/dbraw/zinc/95/56/41/1067955641.db2.gz OCFCLKYRSBYUJU-KDURUIRLSA-N 1 1 458.630 3.414 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304913732 1067957898 /nfs/dbraw/zinc/95/78/98/1067957898.db2.gz XGUWATIXQXHVOM-OYRHEFFESA-N 1 1 484.693 3.286 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CO)CC2)C1 ZINC001304913611 1067957907 /nfs/dbraw/zinc/95/79/07/1067957907.db2.gz UXJSRIFQELFOFK-KDURUIRLSA-N 1 1 488.702 3.235 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCOc2ccccc2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001304913972 1067958307 /nfs/dbraw/zinc/95/83/07/1067958307.db2.gz VZDQIKAKLQANOX-OAQYLSRUSA-N 1 1 468.646 3.221 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001303436127 1067959548 /nfs/dbraw/zinc/95/95/48/1067959548.db2.gz PFLGMNWKCOPQOO-KRWDZBQOSA-N 1 1 478.439 3.013 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001303436128 1067959561 /nfs/dbraw/zinc/95/95/61/1067959561.db2.gz PFLGMNWKCOPQOO-QGZVFWFLSA-N 1 1 478.439 3.013 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001304920805 1067962200 /nfs/dbraw/zinc/96/22/00/1067962200.db2.gz UIWZKGXVCFODOC-VAMGGRTRSA-N 1 1 476.691 3.259 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001304920809 1067962216 /nfs/dbraw/zinc/96/22/16/1067962216.db2.gz UIWZKGXVCFODOC-ZCNNSNEGSA-N 1 1 476.691 3.259 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001304923149 1067964372 /nfs/dbraw/zinc/96/43/72/1067964372.db2.gz ATDPQTXNHWNOSC-APAFKAMOSA-N 1 1 452.594 3.325 20 0 JGADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC001304923239 1067964772 /nfs/dbraw/zinc/96/47/72/1067964772.db2.gz AOBOGXATVZHHEK-KAOXLYBCSA-N 1 1 460.711 3.491 20 0 JGADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001304923237 1067964867 /nfs/dbraw/zinc/96/48/67/1067964867.db2.gz AOBOGXATVZHHEK-BJESRGMDSA-N 1 1 460.711 3.491 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304923521 1067965467 /nfs/dbraw/zinc/96/54/67/1067965467.db2.gz BXIDRFIUJJGNJZ-RZUBCFFCSA-N 1 1 474.675 3.112 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001304923632 1067965473 /nfs/dbraw/zinc/96/54/73/1067965473.db2.gz DIMYLYSSPMYMFJ-KDURUIRLSA-N 1 1 465.568 3.392 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001304924016 1067966244 /nfs/dbraw/zinc/96/62/44/1067966244.db2.gz GZRJAXCGUMLBSG-XAPVIXHLSA-N 1 1 498.676 3.453 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924364 1067966962 /nfs/dbraw/zinc/96/69/62/1067966962.db2.gz IUABAAXMHIXHSY-OYRHEFFESA-N 1 1 460.667 3.181 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001304924502 1067967379 /nfs/dbraw/zinc/96/73/79/1067967379.db2.gz HYRKPMWVRYPAGW-HBMCJLEFSA-N 1 1 486.636 3.421 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304925796 1067969404 /nfs/dbraw/zinc/96/94/04/1067969404.db2.gz OUEFQSSCSJVVTI-OYRHEFFESA-N 1 1 455.651 3.336 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2C2CCC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926608 1067970661 /nfs/dbraw/zinc/97/06/61/1067970661.db2.gz SPADVOTZNMYZSG-YOUFYPILSA-N 1 1 466.696 3.025 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001304926551 1067970694 /nfs/dbraw/zinc/97/06/94/1067970694.db2.gz SELOZEVHKXTJIS-HBMCJLEFSA-N 1 1 489.686 3.189 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926721 1067971154 /nfs/dbraw/zinc/97/11/54/1067971154.db2.gz SZZQUFDTKIEHDW-HDICACEKSA-N 1 1 474.053 3.395 20 0 JGADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001304926727 1067971276 /nfs/dbraw/zinc/97/12/76/1067971276.db2.gz HCTNYRBWUVZRDT-FCGDIQPGSA-N 1 1 470.584 3.403 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304926870 1067971932 /nfs/dbraw/zinc/97/19/32/1067971932.db2.gz RSKRSKZFCGPMRS-SVFBPWRDSA-N 1 1 479.716 3.312 20 0 JGADMO C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927081 1067972277 /nfs/dbraw/zinc/97/22/77/1067972277.db2.gz INOQGNHSYFNFKG-YRPNKDGESA-N 1 1 463.648 3.339 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001304927238 1067972879 /nfs/dbraw/zinc/97/28/79/1067972879.db2.gz SYKUBCFWLFBLPQ-YDIMBITNSA-N 1 1 458.676 3.390 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001304927235 1067972953 /nfs/dbraw/zinc/97/29/53/1067972953.db2.gz SYKUBCFWLFBLPQ-GLDPYIMESA-N 1 1 458.676 3.390 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001304927243 1067973002 /nfs/dbraw/zinc/97/30/02/1067973002.db2.gz VVQZGDNBBLTLLJ-QKLQHJQFSA-N 1 1 460.026 3.282 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)C[C@H]3CCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001304927483 1067973334 /nfs/dbraw/zinc/97/33/34/1067973334.db2.gz JXQSHRYNKAZNJV-FFHOAYQKSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304927631 1067974018 /nfs/dbraw/zinc/97/40/18/1067974018.db2.gz XCGZDGPZSGRKNC-BDTNDASRSA-N 1 1 484.693 3.035 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928125 1067975146 /nfs/dbraw/zinc/97/51/46/1067975146.db2.gz SMWDNQBOHOAGJX-MBDNFAEBSA-N 1 1 460.667 3.180 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001304928108 1067975287 /nfs/dbraw/zinc/97/52/87/1067975287.db2.gz MHGXMBKJLLGISK-WOZUAGRISA-N 1 1 465.708 3.421 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001304928106 1067975315 /nfs/dbraw/zinc/97/53/15/1067975315.db2.gz MHGXMBKJLLGISK-MHTWAQMVSA-N 1 1 465.708 3.421 20 0 JGADMO CC(C)[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928172 1067975674 /nfs/dbraw/zinc/97/56/74/1067975674.db2.gz UDRFQZCPAPNVTJ-JSXRDJHFSA-N 1 1 468.712 3.129 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001304928308 1067975706 /nfs/dbraw/zinc/97/57/06/1067975706.db2.gz ZOBFNGMNVKVVAB-HBMCJLEFSA-N 1 1 470.637 3.433 20 0 JGADMO CC(C)[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928177 1067975752 /nfs/dbraw/zinc/97/57/52/1067975752.db2.gz UDRFQZCPAPNVTJ-WOZUAGRISA-N 1 1 468.712 3.129 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928480 1067976083 /nfs/dbraw/zinc/97/60/83/1067976083.db2.gz OARMKMBQERHZIH-MHTWAQMVSA-N 1 1 451.681 3.173 20 0 JGADMO CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001303460748 1067980473 /nfs/dbraw/zinc/98/04/73/1067980473.db2.gz USONZECZCCSRKJ-ZRCGQRJVSA-N 1 1 499.660 3.253 20 0 JGADMO CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001303460748 1067980481 /nfs/dbraw/zinc/98/04/81/1067980481.db2.gz USONZECZCCSRKJ-ZRCGQRJVSA-N 1 1 499.660 3.253 20 0 JGADMO C[C@@H]1C[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001304932554 1067981687 /nfs/dbraw/zinc/98/16/87/1067981687.db2.gz KIYWCQJWHBVJHG-BDXSIMOUSA-N 1 1 495.466 3.396 20 0 JGADMO C[C@@H]1C[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001304932554 1067981691 /nfs/dbraw/zinc/98/16/91/1067981691.db2.gz KIYWCQJWHBVJHG-BDXSIMOUSA-N 1 1 495.466 3.396 20 0 JGADMO CC(C)[NH2+]C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CC1 ZINC001303464890 1067983816 /nfs/dbraw/zinc/98/38/16/1067983816.db2.gz BGHUTIAYYRRDTR-UHFFFAOYSA-N 1 1 479.595 3.172 20 0 JGADMO C[C@@H]1C[C@@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001304938992 1067988181 /nfs/dbraw/zinc/98/81/81/1067988181.db2.gz PMBIZSPXQJBPLQ-MISYRCLQSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@H]1C[C@H](N(C)c2nnc(-c3ccccn3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304946730 1067998603 /nfs/dbraw/zinc/99/86/03/1067998603.db2.gz DEGZXSHIJGKGTM-RBBKRZOGSA-N 1 1 461.614 3.308 20 0 JGADMO C[C@H]1C[C@H](N(C)c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001304952751 1068001190 /nfs/dbraw/zinc/00/11/90/1068001190.db2.gz QUEYDYMUVVAFHK-XUZZJYLKSA-N 1 1 496.681 3.188 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@]2(C)CCCS2)CCOC1 ZINC001303481255 1068001866 /nfs/dbraw/zinc/00/18/66/1068001866.db2.gz IVADKEXDOLXTJO-LOSJGSFVSA-N 1 1 495.734 3.399 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303484284 1068006908 /nfs/dbraw/zinc/00/69/08/1068006908.db2.gz OPVYMDDGTHYZPL-IMIIHFCZSA-N 1 1 493.693 3.069 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303484284 1068006921 /nfs/dbraw/zinc/00/69/21/1068006921.db2.gz OPVYMDDGTHYZPL-IMIIHFCZSA-N 1 1 493.693 3.069 20 0 JGADMO Cc1cc(O[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)ccc1C(C)C ZINC001303486553 1068008949 /nfs/dbraw/zinc/00/89/49/1068008949.db2.gz MLVYICPMBJPNIG-SQJMNOBHSA-N 1 1 451.611 3.387 20 0 JGADMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303487084 1068009835 /nfs/dbraw/zinc/00/98/35/1068009835.db2.gz WKLBIVVBJYGXAC-RDPSFJRHSA-N 1 1 451.611 3.253 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2nccs2)CCOC1 ZINC001303487602 1068010270 /nfs/dbraw/zinc/01/02/70/1068010270.db2.gz ONDZSNIKUBPJQY-PWSZPPJVSA-N 1 1 492.690 3.124 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2nccs2)CCOC1 ZINC001303487602 1068010289 /nfs/dbraw/zinc/01/02/89/1068010289.db2.gz ONDZSNIKUBPJQY-PWSZPPJVSA-N 1 1 492.690 3.124 20 0 JGADMO CC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304973965 1068013839 /nfs/dbraw/zinc/01/38/39/1068013839.db2.gz DDKJRZYLASVINV-LIKPIUCQSA-N 1 1 460.667 3.477 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)O)CC1 ZINC001304975126 1068014771 /nfs/dbraw/zinc/01/47/71/1068014771.db2.gz KYBVXWKVWVNDOW-KDURUIRLSA-N 1 1 461.054 3.364 20 0 JGADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303493335 1068018548 /nfs/dbraw/zinc/01/85/48/1068018548.db2.gz RNZGGFLRBRVAPK-GCJKJVERSA-N 1 1 455.986 3.050 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(C)(C)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303493293 1068018619 /nfs/dbraw/zinc/01/86/19/1068018619.db2.gz GWXVBMWQQHTPPG-PXDATVDWSA-N 1 1 463.667 3.446 20 0 JGADMO C[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001304980953 1068020381 /nfs/dbraw/zinc/02/03/81/1068020381.db2.gz KWEUCAWHBDGGCD-ZACQAIPSSA-N 1 1 479.716 3.483 20 0 JGADMO C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304993804 1068035616 /nfs/dbraw/zinc/03/56/16/1068035616.db2.gz AIEGPEKWNGXWBO-DFBJGRDBSA-N 1 1 489.686 3.210 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001303505419 1068039362 /nfs/dbraw/zinc/03/93/62/1068039362.db2.gz KOMDCELKRFUDOB-SQJMNOBHSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001303506679 1068040741 /nfs/dbraw/zinc/04/07/41/1068040741.db2.gz QAIBKGUDNXNLKW-OFVILXPXSA-N 1 1 463.667 3.444 20 0 JGADMO C[C@H]1CCC[C@@]1(O)Cn1c(COc2ccccc2F)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305001512 1068043964 /nfs/dbraw/zinc/04/39/64/1068043964.db2.gz QKUCABMMXSGOLB-RXFWQSSRSA-N 1 1 489.636 3.342 20 0 JGADMO CC(C)O[C@@]1(c2nnc(Nc3ccn(C)n3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303510319 1068044752 /nfs/dbraw/zinc/04/47/52/1068044752.db2.gz SOZXMYQIJOONNF-CYFREDJKSA-N 1 1 453.591 3.316 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCS[C@@H](C(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303510497 1068045293 /nfs/dbraw/zinc/04/52/93/1068045293.db2.gz OFSCUXMKNGLVGB-WTEVXDJOSA-N 1 1 495.734 3.396 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCS[C@H](C(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303510498 1068045495 /nfs/dbraw/zinc/04/54/95/1068045495.db2.gz OFSCUXMKNGLVGB-XOEOCAAJSA-N 1 1 495.734 3.396 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303510828 1068046207 /nfs/dbraw/zinc/04/62/07/1068046207.db2.gz QANKGXARKGKMDR-GECPAALWSA-N 1 1 481.707 3.150 20 0 JGADMO C[C@H]1CCCC[C@@H]1OCCn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305004453 1068046724 /nfs/dbraw/zinc/04/67/24/1068046724.db2.gz MJMVMJZMWVGPBC-GMAHTHKFSA-N 1 1 470.662 3.406 20 0 JGADMO C[C@H]1CCCC[C@@H]1OCCn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305004453 1068046739 /nfs/dbraw/zinc/04/67/39/1068046739.db2.gz MJMVMJZMWVGPBC-GMAHTHKFSA-N 1 1 470.662 3.406 20 0 JGADMO CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC001303511552 1068047387 /nfs/dbraw/zinc/04/73/87/1068047387.db2.gz JZLNPORDUJXKIO-NRFANRHFSA-N 1 1 456.635 3.256 20 0 JGADMO CC(C)Oc1cccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001303518041 1068051509 /nfs/dbraw/zinc/05/15/09/1068051509.db2.gz UFRGQOBFGULCQR-HXUWFJFHSA-N 1 1 450.587 3.484 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001305012853 1068053290 /nfs/dbraw/zinc/05/32/90/1068053290.db2.gz BMMPPJZJETUFPW-GOSISDBHSA-N 1 1 493.578 3.500 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001305012854 1068053526 /nfs/dbraw/zinc/05/35/26/1068053526.db2.gz BMMPPJZJETUFPW-SFHVURJKSA-N 1 1 493.578 3.500 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cccn2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305013381 1068054018 /nfs/dbraw/zinc/05/40/18/1068054018.db2.gz HKTBPURTUOYGGF-LEWJYISDSA-N 1 1 476.691 3.342 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001303524313 1068054268 /nfs/dbraw/zinc/05/42/68/1068054268.db2.gz BVOLSMTVYIKWQF-ATIYNZHBSA-N 1 1 493.693 3.213 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCCS(C)(=O)=O)C1 ZINC001305013710 1068054276 /nfs/dbraw/zinc/05/42/76/1068054276.db2.gz LTXDEMZWNMIQOC-NHCUHLMSSA-N 1 1 459.660 3.471 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(CC(C)(C)C)n2CCCn2cnnn2)CC1 ZINC001305013661 1068054608 /nfs/dbraw/zinc/05/46/08/1068054608.db2.gz KRMZTMOJLJLVGK-FQEVSTJZSA-N 1 1 457.671 3.424 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305015010 1068056651 /nfs/dbraw/zinc/05/66/51/1068056651.db2.gz JDXVVPVHPQGRRK-KNQAVFIVSA-N 1 1 477.650 3.286 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305015011 1068056752 /nfs/dbraw/zinc/05/67/52/1068056752.db2.gz JDXVVPVHPQGRRK-SIKLNZKXSA-N 1 1 477.650 3.286 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCCO1 ZINC001305015753 1068058600 /nfs/dbraw/zinc/05/86/00/1068058600.db2.gz DYOZMTCAIUEUDV-VQTJNVASSA-N 1 1 455.607 3.195 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305015982 1068059024 /nfs/dbraw/zinc/05/90/24/1068059024.db2.gz KNLFDSMCNHCJNC-NHCUHLMSSA-N 1 1 460.667 3.131 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F ZINC001305016574 1068059935 /nfs/dbraw/zinc/05/99/35/1068059935.db2.gz MSKOMQCKOXBPGE-UYAOXDASSA-N 1 1 463.623 3.220 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001303530997 1068060297 /nfs/dbraw/zinc/06/02/97/1068060297.db2.gz JETIPDWITKKCSD-RPWUZVMVSA-N 1 1 485.673 3.211 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001305017165 1068060499 /nfs/dbraw/zinc/06/04/99/1068060499.db2.gz DBQLLPKCIQJIPD-MSOLQXFVSA-N 1 1 460.648 3.005 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001303531443 1068060794 /nfs/dbraw/zinc/06/07/94/1068060794.db2.gz OQAWIPXFBNPOKW-NRFANRHFSA-N 1 1 478.037 3.340 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001303531443 1068060808 /nfs/dbraw/zinc/06/08/08/1068060808.db2.gz OQAWIPXFBNPOKW-NRFANRHFSA-N 1 1 478.037 3.340 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001303531444 1068060855 /nfs/dbraw/zinc/06/08/55/1068060855.db2.gz OQAWIPXFBNPOKW-OAQYLSRUSA-N 1 1 478.037 3.340 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001303531444 1068060868 /nfs/dbraw/zinc/06/08/68/1068060868.db2.gz OQAWIPXFBNPOKW-OAQYLSRUSA-N 1 1 478.037 3.340 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCCC[C@@H]2C)CC(=O)N1C ZINC001305017301 1068061017 /nfs/dbraw/zinc/06/10/17/1068061017.db2.gz KPOGEFWAYWYCMD-OALUTQOASA-N 1 1 474.600 3.469 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001305017188 1068061127 /nfs/dbraw/zinc/06/11/27/1068061127.db2.gz DFWHJDBVCSWZJQ-IQGLISFBSA-N 1 1 472.609 3.208 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001305017860 1068061650 /nfs/dbraw/zinc/06/16/50/1068061650.db2.gz GNBDNSUTMLJTAL-NRFANRHFSA-N 1 1 496.704 3.405 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC001305017849 1068061872 /nfs/dbraw/zinc/06/18/72/1068061872.db2.gz GMONPDNQNKKJIU-QUCCMNQESA-N 1 1 459.683 3.418 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001303532455 1068062062 /nfs/dbraw/zinc/06/20/62/1068062062.db2.gz ZQFGBDFSHFAIHB-JOCHJYFZSA-N 1 1 491.080 3.255 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001303532455 1068062075 /nfs/dbraw/zinc/06/20/75/1068062075.db2.gz ZQFGBDFSHFAIHB-JOCHJYFZSA-N 1 1 491.080 3.255 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001303532455 1068062079 /nfs/dbraw/zinc/06/20/79/1068062079.db2.gz ZQFGBDFSHFAIHB-JOCHJYFZSA-N 1 1 491.080 3.255 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305018293 1068062785 /nfs/dbraw/zinc/06/27/85/1068062785.db2.gz NEBSYZSEJJIDDD-VXKWHMMOSA-N 1 1 452.647 3.385 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001305018204 1068062897 /nfs/dbraw/zinc/06/28/97/1068062897.db2.gz HLFXLDSNFNLKGM-FGZHOGPDSA-N 1 1 476.710 3.230 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001305018289 1068063019 /nfs/dbraw/zinc/06/30/19/1068063019.db2.gz NEBSYZSEJJIDDD-FGZHOGPDSA-N 1 1 452.647 3.385 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001305018526 1068063443 /nfs/dbraw/zinc/06/34/43/1068063443.db2.gz HURVYTBAEOIZQY-IBGZPJMESA-N 1 1 483.661 3.382 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001305018562 1068063551 /nfs/dbraw/zinc/06/35/51/1068063551.db2.gz TWKZVBIWWUIUIA-JOCHJYFZSA-N 1 1 471.694 3.343 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001303535911 1068064689 /nfs/dbraw/zinc/06/46/89/1068064689.db2.gz XNNMYUDBIBAVED-RTWAWAEBSA-N 1 1 457.623 3.020 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2cnn(CC3CCC3)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305019886 1068066697 /nfs/dbraw/zinc/06/66/97/1068066697.db2.gz NZDMLEQPEOBRSB-ZWKOTPCHSA-N 1 1 492.694 3.139 20 0 JGADMO CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303538338 1068067328 /nfs/dbraw/zinc/06/73/28/1068067328.db2.gz DDCVQWSZRIXXTJ-YLJYHZDGSA-N 1 1 495.466 3.398 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305020377 1068068259 /nfs/dbraw/zinc/06/82/59/1068068259.db2.gz PBKLSNBFVFCBJL-ROUUACIJSA-N 1 1 474.600 3.359 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)cc2)C1 ZINC001305020548 1068068461 /nfs/dbraw/zinc/06/84/61/1068068461.db2.gz REFQJQLZRHBIJS-AZUAARDMSA-N 1 1 477.650 3.466 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305021891 1068072410 /nfs/dbraw/zinc/07/24/10/1068072410.db2.gz INSIRNHFWYDNAE-MSOLQXFVSA-N 1 1 460.648 3.093 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305022033 1068072652 /nfs/dbraw/zinc/07/26/52/1068072652.db2.gz WSSJRNMOPQRYCI-DOIPELPJSA-N 1 1 460.667 3.163 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305022466 1068073298 /nfs/dbraw/zinc/07/32/98/1068073298.db2.gz LDTNRCPHOXEYIQ-GOTSBHOMSA-N 1 1 487.737 3.435 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001305022565 1068074216 /nfs/dbraw/zinc/07/42/16/1068074216.db2.gz MALXTXWLOJNVJR-MRXNPFEDSA-N 1 1 484.041 3.483 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305022730 1068074259 /nfs/dbraw/zinc/07/42/59/1068074259.db2.gz CXWHGWGVPJXRFE-KURKYZTESA-N 1 1 451.612 3.074 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022958 1068074798 /nfs/dbraw/zinc/07/47/98/1068074798.db2.gz OIJZKYPRFPWYOJ-QZTJIDSGSA-N 1 1 494.731 3.413 20 0 JGADMO CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303549043 1068075909 /nfs/dbraw/zinc/07/59/09/1068075909.db2.gz MEAJILWZJAXYEX-FCHUYYIVSA-N 1 1 454.619 3.145 20 0 JGADMO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001305023411 1068076364 /nfs/dbraw/zinc/07/63/64/1068076364.db2.gz HJFXWDRAAQUVGX-ZWKOTPCHSA-N 1 1 459.616 3.293 20 0 JGADMO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023612 1068076705 /nfs/dbraw/zinc/07/67/05/1068076705.db2.gz CGAKMVLKEZEUKK-NJDAHSKKSA-N 1 1 482.677 3.234 20 0 JGADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023435 1068076896 /nfs/dbraw/zinc/07/68/96/1068076896.db2.gz HNZIYJHRNDQDBW-UAFMIMERSA-N 1 1 474.675 3.132 20 0 JGADMO CC(C)OCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303552550 1068078169 /nfs/dbraw/zinc/07/81/69/1068078169.db2.gz UOWHKZZKSJXBBJ-QFIPXVFZSA-N 1 1 489.064 3.080 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024009 1068078262 /nfs/dbraw/zinc/07/82/62/1068078262.db2.gz JZSJEBLADZZSEF-QRVBRYPASA-N 1 1 467.584 3.477 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305024663 1068078731 /nfs/dbraw/zinc/07/87/31/1068078731.db2.gz MIQOAZVOENBPNN-CVEARBPZSA-N 1 1 472.030 3.339 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305024423 1068078986 /nfs/dbraw/zinc/07/89/86/1068078986.db2.gz ZBZATJGAPHSUDC-MSOLQXFVSA-N 1 1 458.582 3.004 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305024433 1068079060 /nfs/dbraw/zinc/07/90/60/1068079060.db2.gz ZBZATJGAPHSUDC-ZWKOTPCHSA-N 1 1 458.582 3.004 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024778 1068079320 /nfs/dbraw/zinc/07/93/20/1068079320.db2.gz IQNZEWYPOHWFHC-RTBURBONSA-N 1 1 497.585 3.407 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024688 1068079623 /nfs/dbraw/zinc/07/96/23/1068079623.db2.gz HLNFGRLYSUWZOL-OHUGHZGNSA-N 1 1 457.667 3.473 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024687 1068079850 /nfs/dbraw/zinc/07/98/50/1068079850.db2.gz HLNFGRLYSUWZOL-FHAGJXEFSA-N 1 1 457.667 3.473 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025110 1068080145 /nfs/dbraw/zinc/08/01/45/1068080145.db2.gz KUFAIPHIQLRTFR-XQBPLPMBSA-N 1 1 454.619 3.375 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025441 1068080921 /nfs/dbraw/zinc/08/09/21/1068080921.db2.gz RCRJDSXNZBKBEH-ROUUACIJSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305026632 1068082151 /nfs/dbraw/zinc/08/21/51/1068082151.db2.gz XAFDFBCVFGBTDG-ZWKOTPCHSA-N 1 1 495.093 3.237 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001305026315 1068082319 /nfs/dbraw/zinc/08/23/19/1068082319.db2.gz WDDZHWSEQQOPNI-PMACEKPBSA-N 1 1 461.054 3.487 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(OC3CCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026664 1068082917 /nfs/dbraw/zinc/08/29/17/1068082917.db2.gz XGVYEHCQIPDFRY-WOJBJXKFSA-N 1 1 460.667 3.465 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC001305026964 1068082946 /nfs/dbraw/zinc/08/29/46/1068082946.db2.gz SNRKJTCWFLDQBL-ZACQAIPSSA-N 1 1 469.556 3.291 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305026930 1068083465 /nfs/dbraw/zinc/08/34/65/1068083465.db2.gz SCWSMLGNLCMERM-FGZHOGPDSA-N 1 1 470.710 3.433 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026930 1068083480 /nfs/dbraw/zinc/08/34/80/1068083480.db2.gz SCWSMLGNLCMERM-FGZHOGPDSA-N 1 1 470.710 3.433 20 0 JGADMO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028360 1068085187 /nfs/dbraw/zinc/08/51/87/1068085187.db2.gz YRNLYBUKKCKLIN-QWFCFKBJSA-N 1 1 459.038 3.344 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028556 1068085343 /nfs/dbraw/zinc/08/53/43/1068085343.db2.gz ZQVFKXQKMXHXLU-YSTOQKLRSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028647 1068086064 /nfs/dbraw/zinc/08/60/64/1068086064.db2.gz IFJSRCSAYZUPEH-XPNTWCBSSA-N 1 1 489.686 3.033 20 0 JGADMO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028626 1068086158 /nfs/dbraw/zinc/08/61/58/1068086158.db2.gz HZGBFICOXXFHKE-BHIFYINESA-N 1 1 452.647 3.241 20 0 JGADMO CC(C)OCCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303564166 1068087014 /nfs/dbraw/zinc/08/70/14/1068087014.db2.gz QBXBGGQIGZBHHC-SFHVURJKSA-N 1 1 463.573 3.262 20 0 JGADMO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(F)cc(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028981 1068087273 /nfs/dbraw/zinc/08/72/73/1068087273.db2.gz MSVHMZJAJBVZCC-QZTJIDSGSA-N 1 1 460.573 3.436 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCCC2)CC1 ZINC001303566450 1068088567 /nfs/dbraw/zinc/08/85/67/1068088567.db2.gz CGWKALSCBGMXCA-FQEVSTJZSA-N 1 1 475.609 3.409 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C)CC2)CC1 ZINC001303566554 1068089406 /nfs/dbraw/zinc/08/94/06/1068089406.db2.gz DPYOQZRUQHVWCQ-UHFFFAOYSA-N 1 1 475.037 3.209 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCSC2)CC1 ZINC001303567476 1068091044 /nfs/dbraw/zinc/09/10/44/1068091044.db2.gz XRJLZTUARLRGSM-URXFXBBRSA-N 1 1 481.707 3.009 20 0 JGADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001305036462 1068092215 /nfs/dbraw/zinc/09/22/15/1068092215.db2.gz WAWXHHNCSIHROV-AQNXPRMDSA-N 1 1 462.664 3.035 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001303570765 1068094973 /nfs/dbraw/zinc/09/49/73/1068094973.db2.gz DULQPCKXQWXTNR-SFTDATJTSA-N 1 1 459.610 3.370 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305040908 1068095380 /nfs/dbraw/zinc/09/53/80/1068095380.db2.gz AUVMYRBBTUXGKX-OAQYLSRUSA-N 1 1 487.718 3.312 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001305041200 1068095644 /nfs/dbraw/zinc/09/56/44/1068095644.db2.gz CLLBENWKPJJPFH-ICSRJNTNSA-N 1 1 465.689 3.066 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305041126 1068095820 /nfs/dbraw/zinc/09/58/20/1068095820.db2.gz BJVIXZDCJMJLAX-NRFANRHFSA-N 1 1 478.645 3.029 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cscc2C(F)(F)F)CC1 ZINC001303571212 1068096125 /nfs/dbraw/zinc/09/61/25/1068096125.db2.gz IVTANECXMIBDNJ-INIZCTEOSA-N 1 1 473.565 3.458 20 0 JGADMO CC(C)OCCN1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001303571457 1068096154 /nfs/dbraw/zinc/09/61/54/1068096154.db2.gz KYCJIKPKVLJWGK-HSZRJFAPSA-N 1 1 462.683 3.331 20 0 JGADMO C[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCOCC2)C1 ZINC001305041683 1068096228 /nfs/dbraw/zinc/09/62/28/1068096228.db2.gz DNBFMQAOSRZYDX-PMACEKPBSA-N 1 1 462.639 3.309 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305041634 1068096543 /nfs/dbraw/zinc/09/65/43/1068096543.db2.gz FUZYAFYFPBZRMQ-JTHBVZDNSA-N 1 1 488.702 3.180 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCSCC(F)(F)F)CC1 ZINC001303572073 1068096751 /nfs/dbraw/zinc/09/67/51/1068096751.db2.gz VKYMWXJADIUFJU-QGZVFWFLSA-N 1 1 465.586 3.362 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305041974 1068096799 /nfs/dbraw/zinc/09/67/99/1068096799.db2.gz GHVYUQATLJPTAQ-QFIPXVFZSA-N 1 1 467.662 3.081 20 0 JGADMO CC(C)OCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303572213 1068096913 /nfs/dbraw/zinc/09/69/13/1068096913.db2.gz YXNURPSQMFGTIR-UHFFFAOYSA-N 1 1 473.065 3.331 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305042002 1068097357 /nfs/dbraw/zinc/09/73/57/1068097357.db2.gz GYPBCLAITMKLTE-XAPVIXHLSA-N 1 1 462.683 3.409 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(F)F)C2)C1 ZINC001305042412 1068097820 /nfs/dbraw/zinc/09/78/20/1068097820.db2.gz IUFNBBCWIFWOOI-OALUTQOASA-N 1 1 452.594 3.394 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(F)F)C2)C1 ZINC001305042411 1068097989 /nfs/dbraw/zinc/09/79/89/1068097989.db2.gz IUFNBBCWIFWOOI-MOPGFXCFSA-N 1 1 452.594 3.394 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CC2)CC1 ZINC001303572695 1068098471 /nfs/dbraw/zinc/09/84/71/1068098471.db2.gz PAVVTPLXZMEYDB-UHFFFAOYSA-N 1 1 466.051 3.296 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305043116 1068099899 /nfs/dbraw/zinc/09/98/99/1068099899.db2.gz OIQFVTAKERVQIC-WOJBJXKFSA-N 1 1 474.675 3.004 20 0 JGADMO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305044105 1068100801 /nfs/dbraw/zinc/10/08/01/1068100801.db2.gz ZBRVTTSZWRYCMK-XZOQPEGZSA-N 1 1 487.737 3.483 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044328 1068101349 /nfs/dbraw/zinc/10/13/49/1068101349.db2.gz ZSFDMZWGFRZFRF-LWFRFFLJSA-N 1 1 486.686 3.181 20 0 JGADMO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305044840 1068102013 /nfs/dbraw/zinc/10/20/13/1068102013.db2.gz BCAMPYZEOPGUSV-FPOVZHCZSA-N 1 1 477.650 3.466 20 0 JGADMO C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305046254 1068103899 /nfs/dbraw/zinc/10/38/99/1068103899.db2.gz IOSGUPUFDZIBMT-VAMGGRTRSA-N 1 1 462.639 3.165 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001305046304 1068104135 /nfs/dbraw/zinc/10/41/35/1068104135.db2.gz ICICEHBKNUWNHP-RBBKRZOGSA-N 1 1 489.686 3.476 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305046638 1068104501 /nfs/dbraw/zinc/10/45/01/1068104501.db2.gz ARAIXHWTVXMBRT-QHCPKHFHSA-N 1 1 466.674 3.490 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305046911 1068104618 /nfs/dbraw/zinc/10/46/18/1068104618.db2.gz CURBOYJBMSKKDI-FNAHDJPLSA-N 1 1 495.734 3.332 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305047091 1068105483 /nfs/dbraw/zinc/10/54/83/1068105483.db2.gz LLYJPHLNSOBVRV-QZTJIDSGSA-N 1 1 468.067 3.124 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cc(Br)cn3C)nnc2N(C)CCCCCO)C1 ZINC001305047212 1068105937 /nfs/dbraw/zinc/10/59/37/1068105937.db2.gz BXTRAYHQJBHXNW-QGZVFWFLSA-N 1 1 467.456 3.377 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(CCCO)CC2)C1 ZINC001305049431 1068108527 /nfs/dbraw/zinc/10/85/27/1068108527.db2.gz IFDWBBUHDRCCAP-FQEVSTJZSA-N 1 1 489.686 3.069 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Nc3ccn(C)n3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305049886 1068110480 /nfs/dbraw/zinc/11/04/80/1068110480.db2.gz QMSSOXVOSPLCOW-KURKYZTESA-N 1 1 458.611 3.258 20 0 JGADMO C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303590756 1068111126 /nfs/dbraw/zinc/11/11/26/1068111126.db2.gz DTZXEBDMNPGDHG-HKUYNNGSSA-N 1 1 463.623 3.391 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305050100 1068111303 /nfs/dbraw/zinc/11/13/03/1068111303.db2.gz RNZJTQDDGCSRCX-SJORKVTESA-N 1 1 492.466 3.250 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305050742 1068111742 /nfs/dbraw/zinc/11/17/42/1068111742.db2.gz NBDWWGHXFJKTIB-DLBZAZTESA-N 1 1 475.435 3.106 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305050513 1068112641 /nfs/dbraw/zinc/11/26/41/1068112641.db2.gz SOGVSLSATIKZRW-WOJBJXKFSA-N 1 1 472.609 3.396 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001305050619 1068112778 /nfs/dbraw/zinc/11/27/78/1068112778.db2.gz WMZQXJAMVMZVRJ-GOSISDBHSA-N 1 1 475.037 3.334 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001305050940 1068112792 /nfs/dbraw/zinc/11/27/92/1068112792.db2.gz YPFMXJYCLLUBOZ-AEFFLSMTSA-N 1 1 484.041 3.341 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccccc3Br)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001305051075 1068113644 /nfs/dbraw/zinc/11/36/44/1068113644.db2.gz OBONWSZTCPADLG-QGZVFWFLSA-N 1 1 498.491 3.310 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305051091 1068113793 /nfs/dbraw/zinc/11/37/93/1068113793.db2.gz UPGXOUDBRUUZIR-OALUTQOASA-N 1 1 458.582 3.006 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCOC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001305051092 1068113841 /nfs/dbraw/zinc/11/38/41/1068113841.db2.gz ZEHVLFXETGGCPA-DLBZAZTESA-N 1 1 498.491 3.337 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001305051195 1068114058 /nfs/dbraw/zinc/11/40/58/1068114058.db2.gz VJGILLOSAWJOLP-QGZVFWFLSA-N 1 1 460.030 3.214 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305051314 1068114177 /nfs/dbraw/zinc/11/41/77/1068114177.db2.gz YWWXXWTUVONSDD-BWKNWUBXSA-N 1 1 463.667 3.304 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccn3C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC001305052255 1068115588 /nfs/dbraw/zinc/11/55/88/1068115588.db2.gz SDQKJNQYMLUNPK-UXHICEINSA-N 1 1 471.650 3.461 20 0 JGADMO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@@H](C)C2)CC1 ZINC001305053627 1068117479 /nfs/dbraw/zinc/11/74/79/1068117479.db2.gz ZDVOTTAAKJLSJT-OAQYLSRUSA-N 1 1 488.702 3.001 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@@H](C)C2)CC1 ZINC001305053627 1068117480 /nfs/dbraw/zinc/11/74/80/1068117480.db2.gz ZDVOTTAAKJLSJT-OAQYLSRUSA-N 1 1 488.702 3.001 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001305053696 1068117615 /nfs/dbraw/zinc/11/76/15/1068117615.db2.gz ZZHFYSGLACULNJ-PMPSAXMXSA-N 1 1 451.413 3.381 20 0 JGADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303595860 1068118325 /nfs/dbraw/zinc/11/83/25/1068118325.db2.gz IORXWVLVEALLMI-RBUKOAKNSA-N 1 1 482.654 3.348 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOCC1CC1 ZINC001305057312 1068119243 /nfs/dbraw/zinc/11/92/43/1068119243.db2.gz AJHUIESVGUGEGR-HNNXBMFYSA-N 1 1 451.413 3.383 20 0 JGADMO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCC[C@H]1C ZINC001305058202 1068120290 /nfs/dbraw/zinc/12/02/90/1068120290.db2.gz FXUATVWSFQSQNA-NHCUHLMSSA-N 1 1 461.614 3.480 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001305058375 1068121209 /nfs/dbraw/zinc/12/12/09/1068121209.db2.gz HCNXNHODBPNVAR-NRFANRHFSA-N 1 1 472.653 3.287 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cscn1 ZINC001305058828 1068121595 /nfs/dbraw/zinc/12/15/95/1068121595.db2.gz JNLRXZNGFNWKNI-IEBWSBKVSA-N 1 1 491.662 3.164 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001305058702 1068121625 /nfs/dbraw/zinc/12/16/25/1068121625.db2.gz JGTSGYIYPSUORM-VGSWGCGISA-N 1 1 466.552 3.278 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1 ZINC001305058649 1068121634 /nfs/dbraw/zinc/12/16/34/1068121634.db2.gz IDNZTPZXEUMSSU-RBUKOAKNSA-N 1 1 464.680 3.430 20 0 JGADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCC[C@H]1C ZINC001305058846 1068122443 /nfs/dbraw/zinc/12/24/43/1068122443.db2.gz JRWLUNZBISXFDN-WOJBJXKFSA-N 1 1 482.654 3.349 20 0 JGADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305058845 1068122532 /nfs/dbraw/zinc/12/25/32/1068122532.db2.gz JRWLUNZBISXFDN-VQTJNVASSA-N 1 1 482.654 3.349 20 0 JGADMO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001305058899 1068122583 /nfs/dbraw/zinc/12/25/83/1068122583.db2.gz KYKHNYVAFYLTLM-IXDOHACOSA-N 1 1 467.586 3.140 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cccs1 ZINC001305059734 1068123716 /nfs/dbraw/zinc/12/37/16/1068123716.db2.gz OAUYIAQMMVXQKU-GOSISDBHSA-N 1 1 488.683 3.378 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305059783 1068123753 /nfs/dbraw/zinc/12/37/53/1068123753.db2.gz QAKSCTOGMLPTCJ-AQNXPRMDSA-N 1 1 462.639 3.450 20 0 JGADMO C[C@H]1CCCN1c1nnc(CCCc2ccccc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305059452 1068123812 /nfs/dbraw/zinc/12/38/12/1068123812.db2.gz PBIWRPGFXVUNQZ-JTHBVZDNSA-N 1 1 452.647 3.385 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305059784 1068123887 /nfs/dbraw/zinc/12/38/87/1068123887.db2.gz QAKSCTOGMLPTCJ-HSALFYBXSA-N 1 1 462.639 3.450 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001305059869 1068124337 /nfs/dbraw/zinc/12/43/37/1068124337.db2.gz QNJWRIAJDGBHPE-KRWDZBQOSA-N 1 1 454.516 3.177 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305060314 1068125232 /nfs/dbraw/zinc/12/52/32/1068125232.db2.gz VSYWVJINMTUKIH-RTBURBONSA-N 1 1 462.639 3.102 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305060653 1068125332 /nfs/dbraw/zinc/12/53/32/1068125332.db2.gz WPMOHEKWPORXGS-AABGKKOBSA-N 1 1 462.639 3.498 20 0 JGADMO C[C@@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001305061010 1068125789 /nfs/dbraw/zinc/12/57/89/1068125789.db2.gz XLMRGPGZOFAHHV-FYYLOGMGSA-N 1 1 454.663 3.207 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001305061010 1068125793 /nfs/dbraw/zinc/12/57/93/1068125793.db2.gz XLMRGPGZOFAHHV-FYYLOGMGSA-N 1 1 454.663 3.207 20 0 JGADMO C[C@@H]1CCC[N@@H+]1CCn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1C(C)(C)C ZINC001305061488 1068126992 /nfs/dbraw/zinc/12/69/92/1068126992.db2.gz HNOHNRSMGHZIFJ-JOCHJYFZSA-N 1 1 453.679 3.318 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1C(C)(C)C ZINC001305061488 1068126998 /nfs/dbraw/zinc/12/69/98/1068126998.db2.gz HNOHNRSMGHZIFJ-JOCHJYFZSA-N 1 1 453.679 3.318 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001305061353 1068127165 /nfs/dbraw/zinc/12/71/65/1068127165.db2.gz YTMGGZWMNCWHNM-PSTIOWGYSA-N 1 1 452.628 3.122 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001305061811 1068127762 /nfs/dbraw/zinc/12/77/62/1068127762.db2.gz IGAGSTSFNFQLOV-GOSISDBHSA-N 1 1 461.010 3.053 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001305062037 1068128773 /nfs/dbraw/zinc/12/87/73/1068128773.db2.gz LLJZXWQBVHKJBK-LJQANCHMSA-N 1 1 468.646 3.341 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303602409 1068132621 /nfs/dbraw/zinc/13/26/21/1068132621.db2.gz NWVSFYGBTPKVRH-TYFQNXAESA-N 1 1 482.654 3.386 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303602544 1068132743 /nfs/dbraw/zinc/13/27/43/1068132743.db2.gz OKZDHUQOXIKJJG-DLDJGWRRSA-N 1 1 475.659 3.175 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303602544 1068132747 /nfs/dbraw/zinc/13/27/47/1068132747.db2.gz OKZDHUQOXIKJJG-DLDJGWRRSA-N 1 1 475.659 3.175 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001305063707 1068133267 /nfs/dbraw/zinc/13/32/67/1068133267.db2.gz ZHFFDBYGGYXNNR-HSZRJFAPSA-N 1 1 474.694 3.377 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303604182 1068136619 /nfs/dbraw/zinc/13/66/19/1068136619.db2.gz VDOHJPBPEAXXNQ-HYHKQLJDSA-N 1 1 459.660 3.276 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303604182 1068136623 /nfs/dbraw/zinc/13/66/23/1068136623.db2.gz VDOHJPBPEAXXNQ-HYHKQLJDSA-N 1 1 459.660 3.276 20 0 JGADMO C[C@@H](c1ccccc1)N(C)c1nnc(-c2cccnc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303611712 1068146218 /nfs/dbraw/zinc/14/62/18/1068146218.db2.gz TVVCWPGSUAZRIM-NZQKXSOJSA-N 1 1 461.614 3.480 20 0 JGADMO C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001305072701 1068146812 /nfs/dbraw/zinc/14/68/12/1068146812.db2.gz FZVWANCXJPZOGD-ORAYPTAESA-N 1 1 454.800 3.274 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)[C@H]1C ZINC001305072903 1068146916 /nfs/dbraw/zinc/14/69/16/1068146916.db2.gz VSOTZTUVKIDVRG-LAPQFRIASA-N 1 1 452.372 3.148 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001305075063 1068149149 /nfs/dbraw/zinc/14/91/49/1068149149.db2.gz ARPGWNLKMLXGDU-MOPGFXCFSA-N 1 1 462.664 3.018 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001305081510 1068154199 /nfs/dbraw/zinc/15/41/99/1068154199.db2.gz DDRUUGXYSQXZCE-RTBURBONSA-N 1 1 451.619 3.405 20 0 JGADMO CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001305092719 1068160617 /nfs/dbraw/zinc/16/06/17/1068160617.db2.gz MAKRRFHDZKXNDQ-QFIPXVFZSA-N 1 1 490.693 3.476 20 0 JGADMO CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001305092717 1068160677 /nfs/dbraw/zinc/16/06/77/1068160677.db2.gz MAKRRFHDZKXNDQ-JOCHJYFZSA-N 1 1 490.693 3.476 20 0 JGADMO C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001305096214 1068163363 /nfs/dbraw/zinc/16/33/63/1068163363.db2.gz SAKPLGKCJURBKD-ZLNRFVROSA-N 1 1 453.679 3.075 20 0 JGADMO C[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001305098561 1068165468 /nfs/dbraw/zinc/16/54/68/1068165468.db2.gz ZKACBJWWXMFNAI-AZUAARDMSA-N 1 1 462.639 3.307 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001303646043 1068174388 /nfs/dbraw/zinc/17/43/88/1068174388.db2.gz ORGUAGXQNKWOKO-BEFAXECRSA-N 1 1 475.435 3.425 20 0 JGADMO O=C(N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1[nH]ncc1I ZINC001305107199 1068175850 /nfs/dbraw/zinc/17/58/50/1068175850.db2.gz IXSAEJWEFYQSNG-PMPSAXMXSA-N 1 1 450.324 3.045 20 0 JGADMO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1C ZINC001305107576 1068176771 /nfs/dbraw/zinc/17/67/71/1068176771.db2.gz JRAYLTMAITVVKZ-SBHAEUEKSA-N 1 1 472.609 3.174 20 0 JGADMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001303654067 1068185019 /nfs/dbraw/zinc/18/50/19/1068185019.db2.gz UFAJQVCCZGCBOJ-AITUJVMLSA-N 1 1 473.536 3.029 20 0 JGADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001303654067 1068185021 /nfs/dbraw/zinc/18/50/21/1068185021.db2.gz UFAJQVCCZGCBOJ-AITUJVMLSA-N 1 1 473.536 3.029 20 0 JGADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001303654077 1068185081 /nfs/dbraw/zinc/18/50/81/1068185081.db2.gz UFAJQVCCZGCBOJ-OWYHZJEWSA-N 1 1 473.536 3.029 20 0 JGADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001303654077 1068185084 /nfs/dbraw/zinc/18/50/84/1068185084.db2.gz UFAJQVCCZGCBOJ-OWYHZJEWSA-N 1 1 473.536 3.029 20 0 JGADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C[C@H](C)O1 ZINC001305112125 1068185263 /nfs/dbraw/zinc/18/52/63/1068185263.db2.gz FTQVXLGAYIYDTJ-BVFVYWQFSA-N 1 1 490.693 3.043 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C[C@H](C)O1 ZINC001305112125 1068185269 /nfs/dbraw/zinc/18/52/69/1068185269.db2.gz FTQVXLGAYIYDTJ-BVFVYWQFSA-N 1 1 490.693 3.043 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305112383 1068186659 /nfs/dbraw/zinc/18/66/59/1068186659.db2.gz LGDUVXZCRUXVLD-NHCUHLMSSA-N 1 1 488.652 3.414 20 0 JGADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(Cl)ccn2)C[C@H](C)O1 ZINC001305112937 1068187950 /nfs/dbraw/zinc/18/79/50/1068187950.db2.gz KVSLDJJCHXFOOT-HDICACEKSA-N 1 1 490.052 3.087 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(Cl)ccn2)C[C@H](C)O1 ZINC001305112937 1068187952 /nfs/dbraw/zinc/18/79/52/1068187952.db2.gz KVSLDJJCHXFOOT-HDICACEKSA-N 1 1 490.052 3.087 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)C[C@H](C)O1 ZINC001305112917 1068188658 /nfs/dbraw/zinc/18/86/58/1068188658.db2.gz QMBGJABTPNLKEW-OYRHEFFESA-N 1 1 497.688 3.112 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001305113261 1068189392 /nfs/dbraw/zinc/18/93/92/1068189392.db2.gz SKCQDSAPRDQWEX-BDTNDASRSA-N 1 1 476.710 3.371 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001305113261 1068189406 /nfs/dbraw/zinc/18/94/06/1068189406.db2.gz SKCQDSAPRDQWEX-BDTNDASRSA-N 1 1 476.710 3.371 20 0 JGADMO C[C@@H](Cc1cccs1)Cn1c(-c2cnccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001303658437 1068190972 /nfs/dbraw/zinc/19/09/72/1068190972.db2.gz UJLMKYLLHPCZIF-IBGZPJMESA-N 1 1 469.659 3.470 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C3CCC3)nnc2N(CCO)CCc2ccccc2)C[C@H](C)O1 ZINC001305114119 1068191364 /nfs/dbraw/zinc/19/13/64/1068191364.db2.gz XUEWKFNLZJRTTD-OYRHEFFESA-N 1 1 455.647 3.475 20 0 JGADMO C[C@H]1C[NH+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccco2)C[C@H](C)O1 ZINC001305114375 1068191606 /nfs/dbraw/zinc/19/16/06/1068191606.db2.gz RVBPZXKLFAUYCH-ROUUACIJSA-N 1 1 467.574 3.043 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@H](C)O1 ZINC001305114486 1068192565 /nfs/dbraw/zinc/19/25/65/1068192565.db2.gz YMNWGNCMWCBBKJ-FDFHNCONSA-N 1 1 482.673 3.008 20 0 JGADMO C[C@@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC001303663736 1068195015 /nfs/dbraw/zinc/19/50/15/1068195015.db2.gz FAYGIWJWYWERAQ-UNMCSNQZSA-N 1 1 468.646 3.218 20 0 JGADMO C[C@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303664447 1068197411 /nfs/dbraw/zinc/19/74/11/1068197411.db2.gz KTRRALBJVRHZCW-IFMALSPDSA-N 1 1 482.654 3.264 20 0 JGADMO C[C@@H](CCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001303667657 1068202398 /nfs/dbraw/zinc/20/23/98/1068202398.db2.gz TWCSTBWNANRLHS-IBGZPJMESA-N 1 1 463.630 3.143 20 0 JGADMO C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303668008 1068202926 /nfs/dbraw/zinc/20/29/26/1068202926.db2.gz WQSWRWSCDNVFOR-YMPZKCBVSA-N 1 1 489.686 3.444 20 0 JGADMO C[C@@H](CCn1c(Cc2ccsc2)nnc1N1CCS(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303669029 1068203237 /nfs/dbraw/zinc/20/32/37/1068203237.db2.gz RRHTUMBAZPHPRX-IBGZPJMESA-N 1 1 457.669 3.410 20 0 JGADMO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC001303669018 1068203400 /nfs/dbraw/zinc/20/34/00/1068203400.db2.gz RQJPJIPEIXQWDN-TZIWHRDSSA-N 1 1 454.619 3.418 20 0 JGADMO C[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC001303669907 1068204446 /nfs/dbraw/zinc/20/44/46/1068204446.db2.gz WKSWSRXJFXXIBF-HKUYNNGSSA-N 1 1 487.592 3.479 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001305123117 1068207281 /nfs/dbraw/zinc/20/72/81/1068207281.db2.gz DORMJZDLZRBWPW-LJQANCHMSA-N 1 1 468.646 3.003 20 0 JGADMO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[NH+](C[C@@H]3CCCO3)CC2)nnc1C(C)(C)C ZINC001303673636 1068210404 /nfs/dbraw/zinc/21/04/04/1068210404.db2.gz DVVVMXZEQJQIDA-UXHICEINSA-N 1 1 478.682 3.380 20 0 JGADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC001305127272 1068213579 /nfs/dbraw/zinc/21/35/79/1068213579.db2.gz KWTVBIPDPHPOLT-GMAHTHKFSA-N 1 1 454.663 3.255 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)S1 ZINC001305131788 1068217162 /nfs/dbraw/zinc/21/71/62/1068217162.db2.gz DZFOGGAXXWACBX-HZPDHXFCSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)S1 ZINC001305131788 1068217170 /nfs/dbraw/zinc/21/71/70/1068217170.db2.gz DZFOGGAXXWACBX-HZPDHXFCSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC001303688056 1068226287 /nfs/dbraw/zinc/22/62/87/1068226287.db2.gz XLYXSSTUJHBROB-FQEVSTJZSA-N 1 1 486.636 3.252 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305136782 1068226822 /nfs/dbraw/zinc/22/68/22/1068226822.db2.gz LRBYXNWLTLKIMW-CRAIPNDOSA-N 1 1 487.498 3.333 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305136786 1068227016 /nfs/dbraw/zinc/22/70/16/1068227016.db2.gz LRBYXNWLTLKIMW-MAUKXSAKSA-N 1 1 487.498 3.333 20 0 JGADMO C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305137591 1068228193 /nfs/dbraw/zinc/22/81/93/1068228193.db2.gz VYSHASKCMCDIAO-NMLBUPMWSA-N 1 1 494.731 3.129 20 0 JGADMO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305137594 1068228414 /nfs/dbraw/zinc/22/84/14/1068228414.db2.gz VYSHASKCMCDIAO-ZRNYENFQSA-N 1 1 494.731 3.129 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303691164 1068230823 /nfs/dbraw/zinc/23/08/23/1068230823.db2.gz BLDPBAUWSUYEJX-HZPDHXFCSA-N 1 1 488.434 3.256 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)NC(C)(C)C)[N@@H+](C)C1CC1 ZINC001303692304 1068233607 /nfs/dbraw/zinc/23/36/07/1068233607.db2.gz URGRHGVNGOTJRU-HNNXBMFYSA-N 1 1 464.561 3.380 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCCO[C@@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305140607 1068234578 /nfs/dbraw/zinc/23/45/78/1068234578.db2.gz VHWWUQDSCGGKFJ-RBUKOAKNSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCOCC1 ZINC001303692466 1068234619 /nfs/dbraw/zinc/23/46/19/1068234619.db2.gz XKGKHXFEYVWUMA-DLBZAZTESA-N 1 1 478.435 3.432 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCCO[C@@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305140607 1068234590 /nfs/dbraw/zinc/23/45/90/1068234590.db2.gz VHWWUQDSCGGKFJ-RBUKOAKNSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCC2)CC1)[NH+](C)C ZINC001303694830 1068237866 /nfs/dbraw/zinc/23/78/66/1068237866.db2.gz GBPGSAPRZQRLHB-AWEZNQCLSA-N 1 1 453.454 3.394 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)CN1CCOCC1)[N@@H+](C)C1CC1 ZINC001303700051 1068242717 /nfs/dbraw/zinc/24/27/17/1068242717.db2.gz AIXDISSGJBPQCK-LJQANCHMSA-N 1 1 458.626 3.362 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001305143753 1068242959 /nfs/dbraw/zinc/24/29/59/1068242959.db2.gz LZFZWERLXPSXAR-WOJBJXKFSA-N 1 1 475.659 3.228 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303700328 1068243223 /nfs/dbraw/zinc/24/32/23/1068243223.db2.gz DIYVCHRLLOWJCH-ZWKOTPCHSA-N 1 1 455.607 3.174 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cc(Br)cs1)[NH+]1CCOCC1 ZINC001303701245 1068244368 /nfs/dbraw/zinc/24/43/68/1068244368.db2.gz NJCXJFMUUAAUBX-HNNXBMFYSA-N 1 1 479.448 3.465 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl)[NH+]1CCOCC1 ZINC001303701046 1068244411 /nfs/dbraw/zinc/24/44/11/1068244411.db2.gz LYKXPVDLHLEXME-SFHVURJKSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[N@@H+](C)C1CC1 ZINC001303701514 1068245797 /nfs/dbraw/zinc/24/57/97/1068245797.db2.gz QZFJNWCWRBVRSW-OAHLLOKOSA-N 1 1 457.529 3.119 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001305145228 1068245931 /nfs/dbraw/zinc/24/59/31/1068245931.db2.gz FLCHWAHJLLGUBO-PMAPCBKXSA-N 1 1 463.026 3.497 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+](C)C2CCCCC2)CC(=O)N1C ZINC001305145440 1068246548 /nfs/dbraw/zinc/24/65/48/1068246548.db2.gz GAQGXHXOGXDCOX-KRWDZBQOSA-N 1 1 460.026 3.315 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+](C)C2CCCCC2)CC(=O)N1C ZINC001305145441 1068246662 /nfs/dbraw/zinc/24/66/62/1068246662.db2.gz GAQGXHXOGXDCOX-QGZVFWFLSA-N 1 1 460.026 3.315 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001305145623 1068247148 /nfs/dbraw/zinc/24/71/48/1068247148.db2.gz ZVKPSMMYJSPBNL-LJQANCHMSA-N 1 1 489.686 3.474 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001305145622 1068247189 /nfs/dbraw/zinc/24/71/89/1068247189.db2.gz ZVKPSMMYJSPBNL-IBGZPJMESA-N 1 1 489.686 3.474 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303703400 1068247499 /nfs/dbraw/zinc/24/74/99/1068247499.db2.gz PFCSZZVIYCRDFQ-RTBURBONSA-N 1 1 455.651 3.145 20 0 JGADMO C[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccccc1 ZINC001303703406 1068247721 /nfs/dbraw/zinc/24/77/21/1068247721.db2.gz PHDPNFOXJREGOI-HXUWFJFHSA-N 1 1 450.587 3.355 20 0 JGADMO C[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccccc1 ZINC001303703406 1068247728 /nfs/dbraw/zinc/24/77/28/1068247728.db2.gz PHDPNFOXJREGOI-HXUWFJFHSA-N 1 1 450.587 3.355 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC001303706213 1068250726 /nfs/dbraw/zinc/25/07/26/1068250726.db2.gz VYYXJNWJNDSKTO-MRXNPFEDSA-N 1 1 459.392 3.393 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccc(Cl)cc1 ZINC001303706665 1068251136 /nfs/dbraw/zinc/25/11/36/1068251136.db2.gz DCYFOIUGYLTJCQ-SFHVURJKSA-N 1 1 488.036 3.347 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccc(Cl)cc1 ZINC001303706665 1068251150 /nfs/dbraw/zinc/25/11/50/1068251150.db2.gz DCYFOIUGYLTJCQ-SFHVURJKSA-N 1 1 488.036 3.347 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCS1 ZINC001305148482 1068251511 /nfs/dbraw/zinc/25/15/11/1068251511.db2.gz YVUOPTQHTWKLAZ-FUHWJXTLSA-N 1 1 451.040 3.172 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCS1 ZINC001305148485 1068251712 /nfs/dbraw/zinc/25/17/12/1068251712.db2.gz YVUOPTQHTWKLAZ-SJLPKXTDSA-N 1 1 451.040 3.172 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001305149404 1068253834 /nfs/dbraw/zinc/25/38/34/1068253834.db2.gz UZXOQNPWYYQGCF-PXNSSMCTSA-N 1 1 475.037 3.060 20 0 JGADMO C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303708403 1068254556 /nfs/dbraw/zinc/25/45/56/1068254556.db2.gz PHOCBZSEQPLMQP-TZIWHRDSSA-N 1 1 492.628 3.359 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303708933 1068255199 /nfs/dbraw/zinc/25/51/99/1068255199.db2.gz SEGRBVWJQIWHEG-RTBURBONSA-N 1 1 490.578 3.272 20 0 JGADMO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ncc(Cl)n1C)[N@@H+](C)Cc1ccccc1 ZINC001303709637 1068255725 /nfs/dbraw/zinc/25/57/25/1068255725.db2.gz XVMZBDJSHIARLP-KRWDZBQOSA-N 1 1 465.993 3.279 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC001303714344 1068260208 /nfs/dbraw/zinc/26/02/08/1068260208.db2.gz YEBNPRWJSOAKCF-KBXCAEBGSA-N 1 1 450.509 3.367 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303715125 1068261087 /nfs/dbraw/zinc/26/10/87/1068261087.db2.gz AJHDUIKGUMEGAJ-AQNXPRMDSA-N 1 1 476.666 3.396 20 0 JGADMO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCOC1)[N@@H+](C)C1CC1 ZINC001303715881 1068263335 /nfs/dbraw/zinc/26/33/35/1068263335.db2.gz FHBQEVROESXXAD-RBUKOAKNSA-N 1 1 476.666 3.348 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303716928 1068264492 /nfs/dbraw/zinc/26/44/92/1068264492.db2.gz IDYIYFJTTFSRPP-JSXRDJHFSA-N 1 1 475.609 3.324 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303716928 1068264502 /nfs/dbraw/zinc/26/45/02/1068264502.db2.gz IDYIYFJTTFSRPP-JSXRDJHFSA-N 1 1 475.609 3.324 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303716930 1068265062 /nfs/dbraw/zinc/26/50/62/1068265062.db2.gz IDYIYFJTTFSRPP-MHTWAQMVSA-N 1 1 475.609 3.324 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001303716930 1068265067 /nfs/dbraw/zinc/26/50/67/1068265067.db2.gz IDYIYFJTTFSRPP-MHTWAQMVSA-N 1 1 475.609 3.324 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001305163642 1068272597 /nfs/dbraw/zinc/27/25/97/1068272597.db2.gz ANZCJSKWIVRGEU-HXUWFJFHSA-N 1 1 492.628 3.313 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)N1CCOCC1 ZINC001303723415 1068273902 /nfs/dbraw/zinc/27/39/02/1068273902.db2.gz GRVJESQVBSAWBJ-JOCHJYFZSA-N 1 1 454.663 3.300 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305164624 1068274281 /nfs/dbraw/zinc/27/42/81/1068274281.db2.gz IOIOVPDXCMEUDT-DYXWJJEUSA-N 1 1 484.649 3.205 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001303723685 1068274435 /nfs/dbraw/zinc/27/44/35/1068274435.db2.gz UPASAVNTAUBEPV-RBUKOAKNSA-N 1 1 464.655 3.348 20 0 JGADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303723541 1068274499 /nfs/dbraw/zinc/27/44/99/1068274499.db2.gz TYMRQBJZEYBACN-MJGOQNOKSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303723541 1068274502 /nfs/dbraw/zinc/27/45/02/1068274502.db2.gz TYMRQBJZEYBACN-MJGOQNOKSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCSCC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305164730 1068274624 /nfs/dbraw/zinc/27/46/24/1068274624.db2.gz JNWUOYJEEXRVRT-OAHLLOKOSA-N 1 1 455.554 3.341 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001305166994 1068277833 /nfs/dbraw/zinc/27/78/33/1068277833.db2.gz JCODWPCCMTZHRV-QAPCUYQASA-N 1 1 493.534 3.480 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303725923 1068278104 /nfs/dbraw/zinc/27/81/04/1068278104.db2.gz YVFUPUHBRLFOAC-DFBJGRDBSA-N 1 1 478.682 3.423 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305173710 1068286215 /nfs/dbraw/zinc/28/62/15/1068286215.db2.gz FKFDFCRJCMATSZ-SQNIBIBYSA-N 1 1 459.557 3.450 20 0 JGADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001303732754 1068289020 /nfs/dbraw/zinc/28/90/20/1068289020.db2.gz WWRHPSARNBZBJY-PZJWPPBQSA-N 1 1 469.634 3.194 20 0 JGADMO C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001305177570 1068291629 /nfs/dbraw/zinc/29/16/29/1068291629.db2.gz XMCYBYDPUDKUAV-MOPGFXCFSA-N 1 1 472.600 3.367 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001305183731 1068301548 /nfs/dbraw/zinc/30/15/48/1068301548.db2.gz LYXKSDLPXDXKTR-QUCCMNQESA-N 1 1 486.627 3.298 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183707 1068301738 /nfs/dbraw/zinc/30/17/38/1068301738.db2.gz RMSIDPITESPJDT-UFYCRDLUSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001305185112 1068303052 /nfs/dbraw/zinc/30/30/52/1068303052.db2.gz YMGIEHQURKYHJE-OALUTQOASA-N 1 1 462.639 3.102 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305186490 1068304752 /nfs/dbraw/zinc/30/47/52/1068304752.db2.gz DXLWUPNCDLHIDC-MOPGFXCFSA-N 1 1 477.600 3.388 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001305187886 1068307036 /nfs/dbraw/zinc/30/70/36/1068307036.db2.gz GBPXLWPNCJDTCY-KNQAVFIVSA-N 1 1 489.064 3.080 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305190142 1068310509 /nfs/dbraw/zinc/31/05/09/1068310509.db2.gz DWISRZFSVJUGFX-XLIONFOSSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305190142 1068310528 /nfs/dbraw/zinc/31/05/28/1068310528.db2.gz DWISRZFSVJUGFX-XLIONFOSSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305190142 1068310551 /nfs/dbraw/zinc/31/05/51/1068310551.db2.gz DWISRZFSVJUGFX-XLIONFOSSA-N 1 1 498.569 3.190 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001305189961 1068310682 /nfs/dbraw/zinc/31/06/82/1068310682.db2.gz XEPDTYJPMJIXRO-QGZVFWFLSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001305189961 1068310700 /nfs/dbraw/zinc/31/07/00/1068310700.db2.gz XEPDTYJPMJIXRO-QGZVFWFLSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001305189961 1068310716 /nfs/dbraw/zinc/31/07/16/1068310716.db2.gz XEPDTYJPMJIXRO-QGZVFWFLSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001305189960 1068310872 /nfs/dbraw/zinc/31/08/72/1068310872.db2.gz XEPDTYJPMJIXRO-KRWDZBQOSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001305189960 1068310890 /nfs/dbraw/zinc/31/08/90/1068310890.db2.gz XEPDTYJPMJIXRO-KRWDZBQOSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001305189960 1068310914 /nfs/dbraw/zinc/31/09/14/1068310914.db2.gz XEPDTYJPMJIXRO-KRWDZBQOSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001305190343 1068312087 /nfs/dbraw/zinc/31/20/87/1068312087.db2.gz RDLRDPAUJRWBKN-YLJYHZDGSA-N 1 1 459.038 3.310 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001305192272 1068315555 /nfs/dbraw/zinc/31/55/55/1068315555.db2.gz PEGIBFNPHKBFKH-LZQZEXGQSA-N 1 1 469.508 3.287 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCNC(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001305193723 1068318024 /nfs/dbraw/zinc/31/80/24/1068318024.db2.gz CKMIOVCCZZENKK-HXUWFJFHSA-N 1 1 483.661 3.489 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)CN1CCOCC1 ZINC001303756227 1068319961 /nfs/dbraw/zinc/31/99/61/1068319961.db2.gz RJGKEIZQWNTISX-LJQANCHMSA-N 1 1 476.069 3.272 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)CN1CCOCC1 ZINC001303756227 1068319979 /nfs/dbraw/zinc/31/99/79/1068319979.db2.gz RJGKEIZQWNTISX-LJQANCHMSA-N 1 1 476.069 3.272 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC001305195723 1068320790 /nfs/dbraw/zinc/32/07/90/1068320790.db2.gz DLSBQOTWSVFOCN-DOTOQJQBSA-N 1 1 473.565 3.197 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC001303757697 1068320991 /nfs/dbraw/zinc/32/09/91/1068320991.db2.gz YERMOUZRSOSRGP-SFHVURJKSA-N 1 1 494.562 3.138 20 0 JGADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303758783 1068322313 /nfs/dbraw/zinc/32/23/13/1068322313.db2.gz IDDDHXSMBVAPFD-XMSQKQJNSA-N 1 1 477.600 3.367 20 0 JGADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303760071 1068325054 /nfs/dbraw/zinc/32/50/54/1068325054.db2.gz ASIXQXMEOPYIFZ-RTBURBONSA-N 1 1 474.675 3.110 20 0 JGADMO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303760070 1068325262 /nfs/dbraw/zinc/32/52/62/1068325262.db2.gz ASIXQXMEOPYIFZ-RBUKOAKNSA-N 1 1 474.675 3.110 20 0 JGADMO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1)C[NH+]1CCOCC1 ZINC001303761362 1068328654 /nfs/dbraw/zinc/32/86/54/1068328654.db2.gz DWLFSKPDMANQQX-IBGZPJMESA-N 1 1 498.569 3.051 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303763167 1068331468 /nfs/dbraw/zinc/33/14/68/1068331468.db2.gz VLBNBKZUYMYEDE-QRVBRYPASA-N 1 1 457.623 3.117 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305206113 1068332148 /nfs/dbraw/zinc/33/21/48/1068332148.db2.gz OCNWIRWRQRGFLF-HXUWFJFHSA-N 1 1 471.646 3.491 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001305208149 1068336631 /nfs/dbraw/zinc/33/66/31/1068336631.db2.gz HWQGXDCAGNFLLB-MJGOQNOKSA-N 1 1 460.648 3.004 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001305208148 1068336798 /nfs/dbraw/zinc/33/67/98/1068336798.db2.gz HWQGXDCAGNFLLB-IEBWSBKVSA-N 1 1 460.648 3.004 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCCO1 ZINC001305208653 1068337971 /nfs/dbraw/zinc/33/79/71/1068337971.db2.gz JNVGPOLIIVXYAA-IEBWSBKVSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303769984 1068343222 /nfs/dbraw/zinc/34/32/22/1068343222.db2.gz UTSXURQGHJRRQS-IFMALSPDSA-N 1 1 490.693 3.473 20 0 JGADMO C[C@H]1CN(c2nnc(CCc3ccccc3)n2CC2CCN(CC[NH+](C)C)CC2)CCS1 ZINC001305213088 1068344550 /nfs/dbraw/zinc/34/45/50/1068344550.db2.gz XLQNMJPUJRLRCF-NRFANRHFSA-N 1 1 456.704 3.279 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001305213265 1068345099 /nfs/dbraw/zinc/34/50/99/1068345099.db2.gz NKQLCCHSEVXCHX-NZQKXSOJSA-N 1 1 491.080 3.398 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[N@@H+](C)C1CCCCC1 ZINC001303771529 1068347697 /nfs/dbraw/zinc/34/76/97/1068347697.db2.gz MNVISIZQORBUOC-GOSISDBHSA-N 1 1 491.658 3.198 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001305214454 1068348173 /nfs/dbraw/zinc/34/81/73/1068348173.db2.gz FILZUSFXPJRBLE-GBESFXJTSA-N 1 1 461.582 3.109 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCSC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305215129 1068349126 /nfs/dbraw/zinc/34/91/26/1068349126.db2.gz MBHYTVLFFRBHTB-QAPCUYQASA-N 1 1 489.539 3.406 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001305215257 1068349919 /nfs/dbraw/zinc/34/99/19/1068349919.db2.gz NCFLEXUBOIDSSN-WOJBJXKFSA-N 1 1 458.626 3.362 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303772077 1068349952 /nfs/dbraw/zinc/34/99/52/1068349952.db2.gz UNKCQBWQTYJMHJ-KBPBESRZSA-N 1 1 458.003 3.090 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)C(C)(C)C ZINC001305220337 1068357552 /nfs/dbraw/zinc/35/75/52/1068357552.db2.gz FFOIJGFCYKFTBE-DLBZAZTESA-N 1 1 466.051 3.485 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N3CCN(c4cccc(O)c4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305220461 1068357623 /nfs/dbraw/zinc/35/76/23/1068357623.db2.gz FYJBONYXWLSPDW-BGYRXZFFSA-N 1 1 456.635 3.107 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccccc3F)nnc2N(C)CC(F)(F)F)C[C@H](C)O1 ZINC001305221583 1068360457 /nfs/dbraw/zinc/36/04/57/1068360457.db2.gz KGDFLNYTOSKRRZ-IYBDPMFKSA-N 1 1 459.488 3.494 20 0 JGADMO C[C@@H]1COCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305221658 1068360824 /nfs/dbraw/zinc/36/08/24/1068360824.db2.gz IJEBXZCXJUPRII-CTNGQTDRSA-N 1 1 489.686 3.332 20 0 JGADMO CC(F)(F)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303782448 1068361756 /nfs/dbraw/zinc/36/17/56/1068361756.db2.gz LNAKISJBAYBTMA-KRWDZBQOSA-N 1 1 453.559 3.068 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccccc3F)nnc2N2CCSC[C@H]2C)C[C@H](C)O1 ZINC001305222109 1068361855 /nfs/dbraw/zinc/36/18/55/1068361855.db2.gz NARQFAXCNCHAGU-QRVBRYPASA-N 1 1 463.623 3.437 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)N(C)C ZINC001305222318 1068362045 /nfs/dbraw/zinc/36/20/45/1068362045.db2.gz KAUYSCWMHFVZFK-DZGCQCFKSA-N 1 1 481.826 3.122 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N3CCN(C4CCCCC4)C(=O)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305222087 1068362164 /nfs/dbraw/zinc/36/21/64/1068362164.db2.gz MQSVNOMLXDKHFF-BGYRXZFFSA-N 1 1 460.667 3.056 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C ZINC001305222068 1068362271 /nfs/dbraw/zinc/36/22/71/1068362271.db2.gz JOFXMUISNOINFT-VAMGGRTRSA-N 1 1 462.639 3.150 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2ccncc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305222742 1068363645 /nfs/dbraw/zinc/36/36/45/1068363645.db2.gz MDLNRWKVTPFNLF-QUCCMNQESA-N 1 1 469.634 3.240 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303783383 1068364520 /nfs/dbraw/zinc/36/45/20/1068364520.db2.gz RPMSAAKCBILATL-SIKLNZKXSA-N 1 1 486.686 3.271 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303783383 1068364538 /nfs/dbraw/zinc/36/45/38/1068364538.db2.gz RPMSAAKCBILATL-SIKLNZKXSA-N 1 1 486.686 3.271 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cc(Br)cn2C)n1CCCOC(F)F ZINC001305223592 1068364761 /nfs/dbraw/zinc/36/47/61/1068364761.db2.gz UGFMPRVZPGABRF-DZGCQCFKSA-N 1 1 473.366 3.348 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N3CCN(c4ccc(Cl)cn4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305223551 1068364901 /nfs/dbraw/zinc/36/49/01/1068364901.db2.gz TVXKZPXWSYGCHS-KDURUIRLSA-N 1 1 476.069 3.450 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CC(C)(C)C)n1CCCS(=O)(=O)c1ccccc1 ZINC001305223733 1068365522 /nfs/dbraw/zinc/36/55/22/1068365522.db2.gz PJYZIZHUHQRELY-WOJBJXKFSA-N 1 1 459.660 3.404 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)C(C)(C)C ZINC001305224649 1068366986 /nfs/dbraw/zinc/36/69/86/1068366986.db2.gz RQFPTHARSQPJMB-IFMALSPDSA-N 1 1 473.687 3.340 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224676 1068367443 /nfs/dbraw/zinc/36/74/43/1068367443.db2.gz YLUIUKHIWGVAAW-WOJBJXKFSA-N 1 1 462.683 3.208 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCC[C@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224668 1068367668 /nfs/dbraw/zinc/36/76/68/1068367668.db2.gz YLUIUKHIWGVAAW-UXHICEINSA-N 1 1 462.683 3.208 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CCCCNC(=O)OC(C)(C)C ZINC001305225031 1068368126 /nfs/dbraw/zinc/36/81/26/1068368126.db2.gz SLGIJBIFKGYAFM-TZIWHRDSSA-N 1 1 469.634 3.242 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)C2CCCC2)CC1)C(F)(F)F ZINC001303787998 1068369690 /nfs/dbraw/zinc/36/96/90/1068369690.db2.gz JFSVGWIZKBQKPH-QGZVFWFLSA-N 1 1 451.541 3.287 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305226349 1068370133 /nfs/dbraw/zinc/37/01/33/1068370133.db2.gz YPXJVSCAXZCESW-MJGOQNOKSA-N 1 1 491.587 3.097 20 0 JGADMO C[C@H]1COCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305232780 1068378883 /nfs/dbraw/zinc/37/88/83/1068378883.db2.gz SDTKBYCHLYQPOZ-FPOVZHCZSA-N 1 1 492.665 3.076 20 0 JGADMO C[C@H](N1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001303794714 1068380192 /nfs/dbraw/zinc/38/01/92/1068380192.db2.gz COKBJKXCRMMMKO-PKOBYXMFSA-N 1 1 458.573 3.467 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Cl)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001305234373 1068383757 /nfs/dbraw/zinc/38/37/57/1068383757.db2.gz PDRYYJRLEUJJLX-GOSISDBHSA-N 1 1 475.037 3.062 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2Cl)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001305234373 1068383777 /nfs/dbraw/zinc/38/37/77/1068383777.db2.gz PDRYYJRLEUJJLX-GOSISDBHSA-N 1 1 475.037 3.062 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303795822 1068383893 /nfs/dbraw/zinc/38/38/93/1068383893.db2.gz GLVROBFTESVPBM-HAGHYFMRSA-N 1 1 476.666 3.394 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303795825 1068383938 /nfs/dbraw/zinc/38/39/38/1068383938.db2.gz GLVROBFTESVPBM-WCIQWLHISA-N 1 1 476.666 3.394 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1 ZINC001305235033 1068385462 /nfs/dbraw/zinc/38/54/62/1068385462.db2.gz ZRSQZARPWXSQLJ-HNNXBMFYSA-N 1 1 450.356 3.294 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1 ZINC001305235033 1068385474 /nfs/dbraw/zinc/38/54/74/1068385474.db2.gz ZRSQZARPWXSQLJ-HNNXBMFYSA-N 1 1 450.356 3.294 20 0 JGADMO C[C@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305236544 1068386109 /nfs/dbraw/zinc/38/61/09/1068386109.db2.gz HUIJEXRCGLUKLB-KRWDZBQOSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305236544 1068386119 /nfs/dbraw/zinc/38/61/19/1068386119.db2.gz HUIJEXRCGLUKLB-KRWDZBQOSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305236544 1068386135 /nfs/dbraw/zinc/38/61/35/1068386135.db2.gz HUIJEXRCGLUKLB-KRWDZBQOSA-N 1 1 464.630 3.115 20 0 JGADMO C[C@H]1CSCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[NH+]1CCOCC1 ZINC001305236847 1068386611 /nfs/dbraw/zinc/38/66/11/1068386611.db2.gz BRNZXHGNLONUES-KRWDZBQOSA-N 1 1 452.024 3.175 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303799072 1068391592 /nfs/dbraw/zinc/39/15/92/1068391592.db2.gz RWXKEZYNYHBRLE-NIYFSFCBSA-N 1 1 490.693 3.207 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303799069 1068391948 /nfs/dbraw/zinc/39/19/48/1068391948.db2.gz RWXKEZYNYHBRLE-AFMDSPMNSA-N 1 1 490.693 3.207 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303801283 1068397126 /nfs/dbraw/zinc/39/71/26/1068397126.db2.gz VIOJSEOTOUWPAX-VQTJNVASSA-N 1 1 482.633 3.127 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001303801511 1068397666 /nfs/dbraw/zinc/39/76/66/1068397666.db2.gz WVJCGMYYXOZPHL-JBACZVJFSA-N 1 1 476.666 3.132 20 0 JGADMO CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)c2)cc1 ZINC001303802373 1068399406 /nfs/dbraw/zinc/39/94/06/1068399406.db2.gz VLGNDXNAVFINMU-XOBRGWDASA-N 1 1 451.976 3.362 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001303804398 1068405940 /nfs/dbraw/zinc/40/59/40/1068405940.db2.gz TXAIERSLRCKWAZ-XYJFISCASA-N 1 1 466.677 3.164 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CC1(C)C ZINC001303805607 1068409617 /nfs/dbraw/zinc/40/96/17/1068409617.db2.gz GCYXQZPHHAUILW-CEWLAPEOSA-N 1 1 474.675 3.035 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303807618 1068413471 /nfs/dbraw/zinc/41/34/71/1068413471.db2.gz BCQMJAOYCCPSJG-UXHICEINSA-N 1 1 499.685 3.337 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001305256092 1068419425 /nfs/dbraw/zinc/41/94/25/1068419425.db2.gz PKQKGEPVXQGAQJ-DXIQSLLYSA-N 1 1 491.727 3.399 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc(CN2CCCC2=O)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305256970 1068419956 /nfs/dbraw/zinc/41/99/56/1068419956.db2.gz ILGQTSKJKACMFQ-MSOLQXFVSA-N 1 1 460.623 3.002 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1CC[N@@H+](C)C1CCCCC1 ZINC001303812021 1068421847 /nfs/dbraw/zinc/42/18/47/1068421847.db2.gz SYMCDSSIGVJYJY-KRWDZBQOSA-N 1 1 483.082 3.443 20 0 JGADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305258935 1068424272 /nfs/dbraw/zinc/42/42/72/1068424272.db2.gz YAYLFZHLZKTORX-KKUMJFAQSA-N 1 1 469.453 3.087 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001305261948 1068432075 /nfs/dbraw/zinc/43/20/75/1068432075.db2.gz FUTUHAZZMXBINK-PMACEKPBSA-N 1 1 488.080 3.120 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC001305264386 1068441687 /nfs/dbraw/zinc/44/16/87/1068441687.db2.gz FPIOUIPRVWFUFS-AGILITTLSA-N 1 1 482.673 3.292 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001305266327 1068449573 /nfs/dbraw/zinc/44/95/73/1068449573.db2.gz ILPWGLNIWNWAMH-NFBKMPQASA-N 1 1 468.646 3.167 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)CC1 ZINC001303833262 1068460717 /nfs/dbraw/zinc/46/07/17/1068460717.db2.gz FVPMPMDOZHNKAT-SFHVURJKSA-N 1 1 456.701 3.127 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001305269171 1068460776 /nfs/dbraw/zinc/46/07/76/1068460776.db2.gz TZHFELJGBXPKLK-BJKOFHAPSA-N 1 1 482.673 3.359 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CC1(C)C ZINC001303833382 1068461328 /nfs/dbraw/zinc/46/13/28/1068461328.db2.gz HBRZUGOZEWKXCB-IRFCIJBXSA-N 1 1 480.723 3.415 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C1 ZINC001305271650 1068469760 /nfs/dbraw/zinc/46/97/60/1068469760.db2.gz VFOQSMKIDOJCJO-LJQANCHMSA-N 1 1 470.647 3.114 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001305272241 1068471120 /nfs/dbraw/zinc/47/11/20/1068471120.db2.gz TUHJYVIEJOLMKJ-LEWJYISDSA-N 1 1 454.619 3.145 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305272949 1068474052 /nfs/dbraw/zinc/47/40/52/1068474052.db2.gz ZBULBGZWXJGRHL-RBUKOAKNSA-N 1 1 474.600 3.374 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001303845334 1068479406 /nfs/dbraw/zinc/47/94/06/1068479406.db2.gz MSRNBEOTDWTVCZ-NNMXDRDESA-N 1 1 474.675 3.156 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCCC3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303850957 1068487305 /nfs/dbraw/zinc/48/73/05/1068487305.db2.gz ACNDDIPUORGLPA-IBGZPJMESA-N 1 1 466.696 3.313 20 0 JGADMO CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001305286877 1068488934 /nfs/dbraw/zinc/48/89/34/1068488934.db2.gz FNKUARIZIGTFBG-ZJSXRUAMSA-N 1 1 466.674 3.488 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001303851620 1068490366 /nfs/dbraw/zinc/49/03/66/1068490366.db2.gz GQAZVYPOZVUZNP-GIVPXCGWSA-N 1 1 474.675 3.003 20 0 JGADMO CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001305288882 1068491495 /nfs/dbraw/zinc/49/14/95/1068491495.db2.gz SOHSBIWNQUPDCH-SFHVURJKSA-N 1 1 474.675 3.395 20 0 JGADMO CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001305289245 1068491993 /nfs/dbraw/zinc/49/19/93/1068491993.db2.gz IKUXHVFSPDZTSP-ZJCBTPCYSA-N 1 1 456.635 3.067 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303853231 1068493027 /nfs/dbraw/zinc/49/30/27/1068493027.db2.gz OPRRKEGEKLHQHL-GHTZIAJQSA-N 1 1 490.674 3.057 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccccc2)n1CC[N@@H+](C)C1CCCC1 ZINC001303853150 1068493115 /nfs/dbraw/zinc/49/31/15/1068493115.db2.gz NZSMRGWOAPUASD-NQIIRXRSSA-N 1 1 460.648 3.104 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCCc2ccccc21 ZINC001303856645 1068497003 /nfs/dbraw/zinc/49/70/03/1068497003.db2.gz ZCOPRJOBFVAANX-TZIWHRDSSA-N 1 1 488.702 3.319 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCOC1CCCCCC1 ZINC001303857657 1068498150 /nfs/dbraw/zinc/49/81/50/1068498150.db2.gz IWPPTACVHAKJFJ-HXUWFJFHSA-N 1 1 496.722 3.082 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001305293713 1068498312 /nfs/dbraw/zinc/49/83/12/1068498312.db2.gz LIEARWRAQHPKBY-XMMPIXPASA-N 1 1 493.027 3.033 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001305293713 1068498317 /nfs/dbraw/zinc/49/83/17/1068498317.db2.gz LIEARWRAQHPKBY-XMMPIXPASA-N 1 1 493.027 3.033 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(F)c1 ZINC001303859886 1068500338 /nfs/dbraw/zinc/50/03/38/1068500338.db2.gz WRNJLQRVEBRETR-IRXDYDNUSA-N 1 1 492.646 3.020 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(F)c2)CC1 ZINC001303859884 1068500393 /nfs/dbraw/zinc/50/03/93/1068500393.db2.gz WRNJLQRVEBRETR-DLBZAZTESA-N 1 1 492.646 3.020 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001303864978 1068502090 /nfs/dbraw/zinc/50/20/90/1068502090.db2.gz KILPJDSJWVSWKY-QUCCMNQESA-N 1 1 492.665 3.176 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H]1CCCC1(C)C ZINC001303864841 1068502174 /nfs/dbraw/zinc/50/21/74/1068502174.db2.gz IMZRHFBUANBOSV-IEBWSBKVSA-N 1 1 480.704 3.098 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297571 1068505082 /nfs/dbraw/zinc/50/50/82/1068505082.db2.gz WMXNHUFGLDHLDY-HHJKRLRDSA-N 1 1 452.603 3.200 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305297571 1068505093 /nfs/dbraw/zinc/50/50/93/1068505093.db2.gz WMXNHUFGLDHLDY-HHJKRLRDSA-N 1 1 452.603 3.200 20 0 JGADMO CC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305302091 1068511395 /nfs/dbraw/zinc/51/13/95/1068511395.db2.gz QOVLEEHHWOAPHZ-HSZRJFAPSA-N 1 1 458.010 3.205 20 0 JGADMO CC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305307646 1068515731 /nfs/dbraw/zinc/51/57/31/1068515731.db2.gz NVZSWMUEBCGFQD-VWLOTQADSA-N 1 1 457.619 3.121 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305309963 1068519002 /nfs/dbraw/zinc/51/90/02/1068519002.db2.gz CLMZZWJPZFBZJR-KOSHJBKYSA-N 1 1 483.642 3.106 20 0 JGADMO C[C@](O)(C1CCN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1)C(F)(F)F ZINC001303881123 1068519364 /nfs/dbraw/zinc/51/93/64/1068519364.db2.gz VGFJMTNFSZXEDH-XXBNENTESA-N 1 1 496.578 3.107 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303887091 1068524820 /nfs/dbraw/zinc/52/48/20/1068524820.db2.gz FGSYDEYKKDHPOT-IRXDYDNUSA-N 1 1 486.617 3.377 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303887091 1068524834 /nfs/dbraw/zinc/52/48/34/1068524834.db2.gz FGSYDEYKKDHPOT-IRXDYDNUSA-N 1 1 486.617 3.377 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303887089 1068524961 /nfs/dbraw/zinc/52/49/61/1068524961.db2.gz FGSYDEYKKDHPOT-DLBZAZTESA-N 1 1 486.617 3.377 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC[N@H+]1CCc2sccc2C1 ZINC001303887089 1068524978 /nfs/dbraw/zinc/52/49/78/1068524978.db2.gz FGSYDEYKKDHPOT-DLBZAZTESA-N 1 1 486.617 3.377 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001305326478 1068548519 /nfs/dbraw/zinc/54/85/19/1068548519.db2.gz YPJWODDRSGFGKG-AJTFRIOCSA-N 1 1 482.673 3.185 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001305326478 1068548533 /nfs/dbraw/zinc/54/85/33/1068548533.db2.gz YPJWODDRSGFGKG-AJTFRIOCSA-N 1 1 482.673 3.185 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305328183 1068551339 /nfs/dbraw/zinc/55/13/39/1068551339.db2.gz QBAOZXOFBAFJMM-DFBJGRDBSA-N 1 1 459.635 3.298 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305328183 1068551349 /nfs/dbraw/zinc/55/13/49/1068551349.db2.gz QBAOZXOFBAFJMM-DFBJGRDBSA-N 1 1 459.635 3.298 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccon2)n1CCC[NH+]1CCOCC1 ZINC001303906322 1068552173 /nfs/dbraw/zinc/55/21/73/1068552173.db2.gz GSPYQQLPAQZZGU-KRWDZBQOSA-N 1 1 460.966 3.418 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305333102 1068562766 /nfs/dbraw/zinc/56/27/66/1068562766.db2.gz IAQFWENVZKCXDT-MHECFPHRSA-N 1 1 471.675 3.321 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001305333269 1068563214 /nfs/dbraw/zinc/56/32/14/1068563214.db2.gz DKPIFEJSRZRRPC-PNTFMKQHSA-N 1 1 459.610 3.106 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[NH+]1CCCCC1 ZINC001303915118 1068566026 /nfs/dbraw/zinc/56/60/26/1068566026.db2.gz LWUSFCDIBUOWHP-CEXWTWQISA-N 1 1 481.638 3.301 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303915406 1068566552 /nfs/dbraw/zinc/56/65/52/1068566552.db2.gz PAXIOZPLOSTWDT-MPWIWIEXSA-N 1 1 466.051 3.468 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303915836 1068567076 /nfs/dbraw/zinc/56/70/76/1068567076.db2.gz XFOZZUBGMMNHOR-MFEFFIJZSA-N 1 1 464.010 3.142 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001305336903 1068568964 /nfs/dbraw/zinc/56/89/64/1068568964.db2.gz BZRLPMZGYMPUKU-UNVFRBQDSA-N 1 1 489.636 3.483 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001305337571 1068570362 /nfs/dbraw/zinc/57/03/62/1068570362.db2.gz WUTCYONCMMFKOG-BERHBOFZSA-N 1 1 482.673 3.298 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCc1ccn(C)n1 ZINC001303922492 1068573699 /nfs/dbraw/zinc/57/36/99/1068573699.db2.gz LDQKDJLGQFTJLP-IBGZPJMESA-N 1 1 485.608 3.080 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCc1ccn(C)n1 ZINC001303922492 1068573710 /nfs/dbraw/zinc/57/37/10/1068573710.db2.gz LDQKDJLGQFTJLP-IBGZPJMESA-N 1 1 485.608 3.080 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001305341562 1068577537 /nfs/dbraw/zinc/57/75/37/1068577537.db2.gz PIGDHOLEJQXRNV-WZOHSFFVSA-N 1 1 457.619 3.337 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001303925207 1068580962 /nfs/dbraw/zinc/58/09/62/1068580962.db2.gz ZCEWZZCCRCBGQY-RBUKOAKNSA-N 1 1 472.609 3.489 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001303925206 1068581103 /nfs/dbraw/zinc/58/11/03/1068581103.db2.gz ZCEWZZCCRCBGQY-OALUTQOASA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305343931 1068581849 /nfs/dbraw/zinc/58/18/49/1068581849.db2.gz WTAMYCDPYPUXBI-SKPFHBQLSA-N 1 1 459.660 3.197 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305343931 1068581862 /nfs/dbraw/zinc/58/18/62/1068581862.db2.gz WTAMYCDPYPUXBI-SKPFHBQLSA-N 1 1 459.660 3.197 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001303926207 1068583731 /nfs/dbraw/zinc/58/37/31/1068583731.db2.gz IPMPDTNJEDQJEK-ZUQCGGBESA-N 1 1 463.623 3.389 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001305345676 1068584484 /nfs/dbraw/zinc/58/44/84/1068584484.db2.gz CUZSZCCCGJRINH-RCZSKKKRSA-N 1 1 475.659 3.084 20 0 JGADMO CC[C@@H](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)OC ZINC001305345894 1068584960 /nfs/dbraw/zinc/58/49/60/1068584960.db2.gz ZPCQJMKIECLRKH-QPPBQGQZSA-N 1 1 498.672 3.214 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305347702 1068588676 /nfs/dbraw/zinc/58/86/76/1068588676.db2.gz BJLTUJMDHZXCCU-MBSDFSHPSA-N 1 1 466.634 3.074 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)OC ZINC001305347716 1068588768 /nfs/dbraw/zinc/58/87/68/1068588768.db2.gz NHGZYDGBGVXURC-ZZTDLJEGSA-N 1 1 457.619 3.172 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303931838 1068589960 /nfs/dbraw/zinc/58/99/60/1068589960.db2.gz KORWVBMTQNTDNS-VQTJNVASSA-N 1 1 472.609 3.490 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305350331 1068594334 /nfs/dbraw/zinc/59/43/34/1068594334.db2.gz BUZQWZLLRBBTSH-TZYHBYERSA-N 1 1 473.666 3.253 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305351363 1068595557 /nfs/dbraw/zinc/59/55/57/1068595557.db2.gz LXDMVNZEXYLMCU-HTAPYJJXSA-N 1 1 454.623 3.007 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305351364 1068595913 /nfs/dbraw/zinc/59/59/13/1068595913.db2.gz LXDMVNZEXYLMCU-JTSKRJEESA-N 1 1 454.623 3.007 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303949906 1068611716 /nfs/dbraw/zinc/61/17/16/1068611716.db2.gz GTYUUROWYFUORW-FQEVSTJZSA-N 1 1 456.610 3.233 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001305359724 1068611830 /nfs/dbraw/zinc/61/18/30/1068611830.db2.gz GLBWAYLZUAVCMJ-JTJYXVOQSA-N 1 1 459.610 3.370 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305372182 1068626912 /nfs/dbraw/zinc/62/69/12/1068626912.db2.gz UYZXVJHCPCFHAD-WOJBJXKFSA-N 1 1 468.712 3.164 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305374168 1068628020 /nfs/dbraw/zinc/62/80/20/1068628020.db2.gz CODNJGVDKDXMNR-FDFHNCONSA-N 1 1 478.726 3.474 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ncnn1-c1ccccc1 ZINC001305374494 1068628750 /nfs/dbraw/zinc/62/87/50/1068628750.db2.gz FCAXSKBUFHWXJD-FQEVSTJZSA-N 1 1 466.634 3.215 20 0 JGADMO CC[C@H](C)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305381293 1068633254 /nfs/dbraw/zinc/63/32/54/1068633254.db2.gz CNLSENGPKVUIGA-GBESFXJTSA-N 1 1 456.635 3.415 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001305399383 1068641380 /nfs/dbraw/zinc/64/13/80/1068641380.db2.gz FKGYMTYKRCVAHF-SIKLNZKXSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001305399383 1068641385 /nfs/dbraw/zinc/64/13/85/1068641385.db2.gz FKGYMTYKRCVAHF-SIKLNZKXSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001305409405 1068648728 /nfs/dbraw/zinc/64/87/28/1068648728.db2.gz CEYOWOXFKHACBF-SQGPQFPESA-N 1 1 493.578 3.243 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC1(COC)CCC1 ZINC001305411335 1068650540 /nfs/dbraw/zinc/65/05/40/1068650540.db2.gz KESWARJQFGWCNV-FUDKSRODSA-N 1 1 474.694 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)SC ZINC001305413001 1068651921 /nfs/dbraw/zinc/65/19/21/1068651921.db2.gz SKVNRKZKBWDSEE-BJLQDIEVSA-N 1 1 450.697 3.312 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305413045 1068651932 /nfs/dbraw/zinc/65/19/32/1068651932.db2.gz JMJRGYJJOQNTMT-IMSXRSKXSA-N 1 1 454.663 3.449 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305413044 1068652071 /nfs/dbraw/zinc/65/20/71/1068652071.db2.gz JMJRGYJJOQNTMT-HFMPRLQTSA-N 1 1 454.663 3.449 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305417645 1068654548 /nfs/dbraw/zinc/65/45/48/1068654548.db2.gz ZLXQCNFYXZBEMS-UFYCRDLUSA-N 1 1 464.655 3.206 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305424125 1068659538 /nfs/dbraw/zinc/65/95/38/1068659538.db2.gz ZFEGQJDKWCLBGS-LEWJYISDSA-N 1 1 455.651 3.403 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305426566 1068663543 /nfs/dbraw/zinc/66/35/43/1068663543.db2.gz PLGAUESPTNYNJX-FGZHOGPDSA-N 1 1 487.737 3.483 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001305426774 1068664190 /nfs/dbraw/zinc/66/41/90/1068664190.db2.gz QDDDKUXDBRMLLZ-NNWRFLSQSA-N 1 1 455.603 3.082 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1ccc(OC)c(OC)c1OC ZINC001305428117 1068666622 /nfs/dbraw/zinc/66/66/22/1068666622.db2.gz BZEQMABTPUNYGP-NIYFSFCBSA-N 1 1 487.645 3.361 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001305430383 1068668603 /nfs/dbraw/zinc/66/86/03/1068668603.db2.gz BMYXYYVPYWZGRY-PMACEKPBSA-N 1 1 459.660 3.470 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001305430386 1068668643 /nfs/dbraw/zinc/66/86/43/1068668643.db2.gz BMYXYYVPYWZGRY-WOJBJXKFSA-N 1 1 459.660 3.470 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305431136 1068669120 /nfs/dbraw/zinc/66/91/20/1068669120.db2.gz MTEDPBLJGQGQJD-PGRDOPGGSA-N 1 1 474.616 3.349 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305430831 1068669151 /nfs/dbraw/zinc/66/91/51/1068669151.db2.gz MTEDPBLJGQGQJD-AVRDEDQJSA-N 1 1 474.616 3.349 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305432739 1068669785 /nfs/dbraw/zinc/66/97/85/1068669785.db2.gz ZGYKFGHKPOPDHJ-RTBURBONSA-N 1 1 458.655 3.067 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305432735 1068669889 /nfs/dbraw/zinc/66/98/89/1068669889.db2.gz ZGYKFGHKPOPDHJ-MOPGFXCFSA-N 1 1 458.655 3.067 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)Oc1ccccc1OC ZINC001305443041 1068678246 /nfs/dbraw/zinc/67/82/46/1068678246.db2.gz HVJQAFOGEUNIKS-PCCBWWKXSA-N 1 1 457.619 3.426 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([S@](C)=O)CC1 ZINC001305443033 1068678297 /nfs/dbraw/zinc/67/82/97/1068678297.db2.gz HUELLFUOSYTCJV-BNAFRMMHSA-N 1 1 451.681 3.028 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305454682 1068693259 /nfs/dbraw/zinc/69/32/59/1068693259.db2.gz JCVNDLWTPRKFHJ-PGRDOPGGSA-N 1 1 486.661 3.247 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001305454860 1068693322 /nfs/dbraw/zinc/69/33/22/1068693322.db2.gz AMSSLSYOGPOMMZ-JTJYXVOQSA-N 1 1 458.626 3.055 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305457278 1068697951 /nfs/dbraw/zinc/69/79/51/1068697951.db2.gz GMEQNJZEHHDZSG-FQRUVTKNSA-N 1 1 472.653 3.302 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305457607 1068699474 /nfs/dbraw/zinc/69/94/74/1068699474.db2.gz JLWWTWRVTOFFDZ-PZJWPPBQSA-N 1 1 477.698 3.169 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001305462618 1068705829 /nfs/dbraw/zinc/70/58/29/1068705829.db2.gz DTPVSLKCRCVFHC-NPPFBWRTSA-N 1 1 474.675 3.407 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305463893 1068707822 /nfs/dbraw/zinc/70/78/22/1068707822.db2.gz OZVRLNVTNQDXCW-RBBKRZOGSA-N 1 1 463.667 3.457 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305463893 1068707834 /nfs/dbraw/zinc/70/78/34/1068707834.db2.gz OZVRLNVTNQDXCW-RBBKRZOGSA-N 1 1 463.667 3.457 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305481966 1068718783 /nfs/dbraw/zinc/71/87/83/1068718783.db2.gz BAABYYJVIJWGSB-HBMCJLEFSA-N 1 1 473.641 3.400 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305488215 1068726031 /nfs/dbraw/zinc/72/60/31/1068726031.db2.gz RKOPOJIACGEQLN-GBESFXJTSA-N 1 1 460.589 3.365 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305492776 1068730657 /nfs/dbraw/zinc/73/06/57/1068730657.db2.gz UUAIARNVSAVOSB-BHDDXSALSA-N 1 1 462.683 3.137 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@]1(C)CCCS1 ZINC001305507235 1068743855 /nfs/dbraw/zinc/74/38/55/1068743855.db2.gz YYUXUXBJJMHUMY-CVDCTZTESA-N 1 1 450.697 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@]1(C)CCCS1 ZINC001305507235 1068743861 /nfs/dbraw/zinc/74/38/61/1068743861.db2.gz YYUXUXBJJMHUMY-CVDCTZTESA-N 1 1 450.697 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305512495 1068755619 /nfs/dbraw/zinc/75/56/19/1068755619.db2.gz XVOUTTIGSLHOBV-XZOQPEGZSA-N 1 1 473.710 3.191 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001305513187 1068757185 /nfs/dbraw/zinc/75/71/85/1068757185.db2.gz IZYCOWJLFFOFBI-NQIIRXRSSA-N 1 1 489.064 3.439 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305513553 1068757894 /nfs/dbraw/zinc/75/78/94/1068757894.db2.gz KSJRDROSNRVEDK-HKBOAZHASA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1c(F)cccc1SC ZINC001305514182 1068759604 /nfs/dbraw/zinc/75/96/04/1068759604.db2.gz NSQGFOSUGPWKDI-PXNSSMCTSA-N 1 1 474.650 3.444 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCCOc2ccc(Cl)cc2)CC1 ZINC001305515999 1068763547 /nfs/dbraw/zinc/76/35/47/1068763547.db2.gz HUPUIBRVHDLADL-HSZRJFAPSA-N 1 1 458.002 3.391 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC001305516768 1068765155 /nfs/dbraw/zinc/76/51/55/1068765155.db2.gz LWOAASBZJZLBEH-NRFANRHFSA-N 1 1 459.537 3.410 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305517263 1068765641 /nfs/dbraw/zinc/76/56/41/1068765641.db2.gz WGLLWDWSMFDGDX-ZRBLBEILSA-N 1 1 489.709 3.124 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001305518671 1068768689 /nfs/dbraw/zinc/76/86/89/1068768689.db2.gz MAEDINLDJHWNPZ-OFNKIYASSA-N 1 1 467.662 3.015 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305524413 1068777134 /nfs/dbraw/zinc/77/71/34/1068777134.db2.gz UWXVNYDKKBIQDU-ACRUOGEOSA-N 1 1 475.707 3.488 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305525406 1068778659 /nfs/dbraw/zinc/77/86/59/1068778659.db2.gz WBYMZWPMAURNPY-IRLDBZIGSA-N 1 1 467.662 3.482 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3cnn(C)c3)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001305529030 1068783886 /nfs/dbraw/zinc/78/38/86/1068783886.db2.gz OSRVFDYHFACQTI-QGZVFWFLSA-N 1 1 456.561 3.126 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305532736 1068790667 /nfs/dbraw/zinc/79/06/67/1068790667.db2.gz OMYPYATYELAFEF-WOJBJXKFSA-N 1 1 477.723 3.032 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305532772 1068791056 /nfs/dbraw/zinc/79/10/56/1068791056.db2.gz AEOQLESGZYAZOM-RTBURBONSA-N 1 1 471.625 3.174 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001305533000 1068791611 /nfs/dbraw/zinc/79/16/11/1068791611.db2.gz FAQOCEOSUPXJKL-LSQMVHIFSA-N 1 1 495.716 3.303 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305538512 1068804555 /nfs/dbraw/zinc/80/45/55/1068804555.db2.gz XMZOUSYOVXEYPB-HSZRJFAPSA-N 1 1 481.689 3.058 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001305539067 1068805911 /nfs/dbraw/zinc/80/59/11/1068805911.db2.gz OMLOKXDOTIDPQK-IRLDBZIGSA-N 1 1 476.616 3.470 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1CCCn1cc[nH+]c1C ZINC001305539173 1068806010 /nfs/dbraw/zinc/80/60/10/1068806010.db2.gz XNESLWMCFRIVSK-IBGZPJMESA-N 1 1 482.608 3.287 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001305539049 1068806077 /nfs/dbraw/zinc/80/60/77/1068806077.db2.gz OGVCWSRVZQYJDT-GPJHCHHRSA-N 1 1 471.646 3.026 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001305539071 1068806252 /nfs/dbraw/zinc/80/62/52/1068806252.db2.gz OMLOKXDOTIDPQK-UNMCSNQZSA-N 1 1 476.616 3.470 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305539239 1068806778 /nfs/dbraw/zinc/80/67/78/1068806778.db2.gz DFCSPQBYPJDYTG-QPPBQGQZSA-N 1 1 454.663 3.269 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305539239 1068806791 /nfs/dbraw/zinc/80/67/91/1068806791.db2.gz DFCSPQBYPJDYTG-QPPBQGQZSA-N 1 1 454.663 3.269 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001305539969 1068808371 /nfs/dbraw/zinc/80/83/71/1068808371.db2.gz SMSDTEZFDJXHIH-IQGLISFBSA-N 1 1 457.667 3.405 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305540806 1068810394 /nfs/dbraw/zinc/81/03/94/1068810394.db2.gz LMXAPVCBSNWGLM-ZDXQCDESSA-N 1 1 454.663 3.349 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305540806 1068810414 /nfs/dbraw/zinc/81/04/14/1068810414.db2.gz LMXAPVCBSNWGLM-ZDXQCDESSA-N 1 1 454.663 3.349 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305540934 1068811387 /nfs/dbraw/zinc/81/13/87/1068811387.db2.gz XVDLVNQUEAUHPL-QZTJIDSGSA-N 1 1 478.579 3.171 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1Cc1cnn(C)c1C ZINC001305541872 1068813484 /nfs/dbraw/zinc/81/34/84/1068813484.db2.gz QSXUBGDGBUFKAX-SFHVURJKSA-N 1 1 467.618 3.221 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](OC)c1ccccc1 ZINC001305542537 1068815083 /nfs/dbraw/zinc/81/50/83/1068815083.db2.gz CZQWCFBQCAJDIB-ICDZXHCJSA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1CC1(c2ccc(F)cc2)CCOCC1 ZINC001305543339 1068817093 /nfs/dbraw/zinc/81/70/93/1068817093.db2.gz ADZQPZCBDVBHJR-FQEVSTJZSA-N 1 1 459.610 3.448 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccc(C(OC)OC)c1 ZINC001305543254 1068817463 /nfs/dbraw/zinc/81/74/63/1068817463.db2.gz TYNISLJPFFUGMC-KNQAVFIVSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544259 1068819734 /nfs/dbraw/zinc/81/97/34/1068819734.db2.gz GMQUANTYWLMGES-VXKWHMMOSA-N 1 1 476.710 3.372 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546020 1068824659 /nfs/dbraw/zinc/82/46/59/1068824659.db2.gz QEPWAFZSTMUSPV-GOTSBHOMSA-N 1 1 476.710 3.231 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305546625 1068825786 /nfs/dbraw/zinc/82/57/86/1068825786.db2.gz LZNMGGWNWJTKNI-PWRODBHTSA-N 1 1 459.683 3.494 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305546622 1068826137 /nfs/dbraw/zinc/82/61/37/1068826137.db2.gz LZNMGGWNWJTKNI-PCCBWWKXSA-N 1 1 459.683 3.494 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001305548887 1068828294 /nfs/dbraw/zinc/82/82/94/1068828294.db2.gz VTOXIDFYMYGGOB-DYXWJJEUSA-N 1 1 466.696 3.059 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001305551054 1068829535 /nfs/dbraw/zinc/82/95/35/1068829535.db2.gz KQIGTXOURQUHNS-SJLPKXTDSA-N 1 1 453.509 3.454 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001305551054 1068829546 /nfs/dbraw/zinc/82/95/46/1068829546.db2.gz KQIGTXOURQUHNS-SJLPKXTDSA-N 1 1 453.509 3.454 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001305551845 1068829989 /nfs/dbraw/zinc/82/99/89/1068829989.db2.gz MNYKQJXNXUQOSI-AEFFLSMTSA-N 1 1 461.010 3.303 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001305551845 1068829999 /nfs/dbraw/zinc/82/99/99/1068829999.db2.gz MNYKQJXNXUQOSI-AEFFLSMTSA-N 1 1 461.010 3.303 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001305551851 1068830283 /nfs/dbraw/zinc/83/02/83/1068830283.db2.gz MNYKQJXNXUQOSI-FUHWJXTLSA-N 1 1 461.010 3.303 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001305551851 1068830299 /nfs/dbraw/zinc/83/02/99/1068830299.db2.gz MNYKQJXNXUQOSI-FUHWJXTLSA-N 1 1 461.010 3.303 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305551987 1068831277 /nfs/dbraw/zinc/83/12/77/1068831277.db2.gz IBBFEEPIMFONLQ-GGAORHGYSA-N 1 1 455.651 3.260 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305556182 1068833801 /nfs/dbraw/zinc/83/38/01/1068833801.db2.gz QCSVNHWPWSETOK-WPYKKVEZSA-N 1 1 457.619 3.225 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305556183 1068834002 /nfs/dbraw/zinc/83/40/02/1068834002.db2.gz QCSVNHWPWSETOK-XKCSPQBFSA-N 1 1 457.619 3.225 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305558976 1068836485 /nfs/dbraw/zinc/83/64/85/1068836485.db2.gz DPCCPSSUYYFRHG-OEMFJLHTSA-N 1 1 471.646 3.433 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305568398 1068843153 /nfs/dbraw/zinc/84/31/53/1068843153.db2.gz WAMBCCYPYJWEJZ-SLFFLAALSA-N 1 1 475.638 3.377 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CC[NH+](CC)CC1 ZINC001305579025 1068851258 /nfs/dbraw/zinc/85/12/58/1068851258.db2.gz BGKABZNQWSBIFS-FQEVSTJZSA-N 1 1 456.635 3.226 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001305580346 1068852020 /nfs/dbraw/zinc/85/20/20/1068852020.db2.gz JMPJUISFBIRYPR-VQTJNVASSA-N 1 1 456.635 3.430 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305581338 1068852347 /nfs/dbraw/zinc/85/23/47/1068852347.db2.gz WWBILGITTNXKKZ-HOTGVXAUSA-N 1 1 453.429 3.249 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001305581410 1068852719 /nfs/dbraw/zinc/85/27/19/1068852719.db2.gz XQLCVUWWCBISSP-RBUKOAKNSA-N 1 1 476.691 3.208 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001305602161 1068864743 /nfs/dbraw/zinc/86/47/43/1068864743.db2.gz APLHQJYLJYPWNX-LEWJYISDSA-N 1 1 455.651 3.408 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001305602161 1068864759 /nfs/dbraw/zinc/86/47/59/1068864759.db2.gz APLHQJYLJYPWNX-LEWJYISDSA-N 1 1 455.651 3.408 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc2ccccc2s1 ZINC001305603012 1068866369 /nfs/dbraw/zinc/86/63/69/1068866369.db2.gz HUIRANCGVZXSFJ-KRWDZBQOSA-N 1 1 455.632 3.491 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001305603233 1068867147 /nfs/dbraw/zinc/86/71/47/1068867147.db2.gz KEEJZLNARCNRRA-HXUWFJFHSA-N 1 1 479.633 3.077 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001305603313 1068867222 /nfs/dbraw/zinc/86/72/22/1068867222.db2.gz BJMTVGFFEKHLGY-IBGZPJMESA-N 1 1 464.618 3.109 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001305603252 1068867317 /nfs/dbraw/zinc/86/73/17/1068867317.db2.gz AHAAPWBDVHOKFI-QUCCMNQESA-N 1 1 462.042 3.025 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001305603252 1068867335 /nfs/dbraw/zinc/86/73/35/1068867335.db2.gz AHAAPWBDVHOKFI-QUCCMNQESA-N 1 1 462.042 3.025 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001305603315 1068867912 /nfs/dbraw/zinc/86/79/12/1068867912.db2.gz BJMTVGFFEKHLGY-LJQANCHMSA-N 1 1 464.618 3.109 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305603707 1068868388 /nfs/dbraw/zinc/86/83/88/1068868388.db2.gz AYZOLEQJUNTCDP-YCRPNKLZSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001305605167 1068871359 /nfs/dbraw/zinc/87/13/59/1068871359.db2.gz PHTZSYAPWRUQFQ-WIYYLYMNSA-N 1 1 481.576 3.373 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CCS(C)(=O)=O ZINC001305605491 1068871385 /nfs/dbraw/zinc/87/13/85/1068871385.db2.gz FGOOXSWBWFUWFG-GOSISDBHSA-N 1 1 458.632 3.013 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001305606948 1068874286 /nfs/dbraw/zinc/87/42/86/1068874286.db2.gz OFXFPIKOIZWJEG-CTNGQTDRSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001305607423 1068875821 /nfs/dbraw/zinc/87/58/21/1068875821.db2.gz LVCOLTPMSRZGEA-DZFGPLHGSA-N 1 1 474.675 3.018 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001305607397 1068875882 /nfs/dbraw/zinc/87/58/82/1068875882.db2.gz LHLWQFIYSATFHG-OAGGEKHMSA-N 1 1 453.429 3.390 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001305608307 1068878778 /nfs/dbraw/zinc/87/87/78/1068878778.db2.gz OHWICKLTCZZYGK-KKSFZXQISA-N 1 1 465.440 3.393 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001305608305 1068878880 /nfs/dbraw/zinc/87/88/80/1068878880.db2.gz OHWICKLTCZZYGK-IERDGZPVSA-N 1 1 465.440 3.393 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@H]1CC ZINC001305608704 1068879535 /nfs/dbraw/zinc/87/95/35/1068879535.db2.gz QFCIMWKHGYVMEE-SESVDKBCSA-N 1 1 456.635 3.480 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 ZINC001305608763 1068880427 /nfs/dbraw/zinc/88/04/27/1068880427.db2.gz QSWQJIOGZABHDD-MSOLQXFVSA-N 1 1 460.598 3.250 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001305608986 1068880521 /nfs/dbraw/zinc/88/05/21/1068880521.db2.gz VNABIEXDIFLAFF-MRXNPFEDSA-N 1 1 477.539 3.430 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001305609026 1068880914 /nfs/dbraw/zinc/88/09/14/1068880914.db2.gz UNTFQVZLNLGWAV-SFHVURJKSA-N 1 1 487.052 3.398 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001305609428 1068881155 /nfs/dbraw/zinc/88/11/55/1068881155.db2.gz DFCCBKLFDQYHSR-FQEVSTJZSA-N 1 1 463.634 3.310 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305609483 1068881884 /nfs/dbraw/zinc/88/18/84/1068881884.db2.gz UQUGCAMEXSLCJH-WBVHZDCISA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001305609516 1068882763 /nfs/dbraw/zinc/88/27/63/1068882763.db2.gz VGEVGMOLARCWKT-GIWBLDEGSA-N 1 1 499.704 3.394 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001305609964 1068883400 /nfs/dbraw/zinc/88/34/00/1068883400.db2.gz XGPKAIDPCQCGDE-NQIIRXRSSA-N 1 1 475.037 3.156 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001305609928 1068883433 /nfs/dbraw/zinc/88/34/33/1068883433.db2.gz XFFKALILLZVVPB-SBUREZEXSA-N 1 1 496.077 3.352 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305610606 1068884579 /nfs/dbraw/zinc/88/45/79/1068884579.db2.gz WPKFBYWTVSHRQP-MRXNPFEDSA-N 1 1 454.040 3.342 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001305611362 1068886145 /nfs/dbraw/zinc/88/61/45/1068886145.db2.gz LRPZKKPIQKCSKG-QFIPXVFZSA-N 1 1 475.641 3.270 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001305611394 1068886308 /nfs/dbraw/zinc/88/63/08/1068886308.db2.gz ZREWBENTDLFWQH-FQEVSTJZSA-N 1 1 486.661 3.387 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001305611904 1068886735 /nfs/dbraw/zinc/88/67/35/1068886735.db2.gz OLSRZAODYJNBHN-DFBJGRDBSA-N 1 1 457.619 3.458 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001305612325 1068887631 /nfs/dbraw/zinc/88/76/31/1068887631.db2.gz CGMITEXTHGDUDU-FXAWDEMLSA-N 1 1 481.580 3.005 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001305613095 1068888393 /nfs/dbraw/zinc/88/83/93/1068888393.db2.gz DLLSXTALUFYGCM-VDGAXYAQSA-N 1 1 461.010 3.191 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 ZINC001305613560 1068888869 /nfs/dbraw/zinc/88/88/69/1068888869.db2.gz WHXLGMUQJDJVLW-LJQANCHMSA-N 1 1 451.619 3.226 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001305613308 1068888915 /nfs/dbraw/zinc/88/89/15/1068888915.db2.gz FGOVEXJYUZPSEB-RBBKRZOGSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001305613900 1068889986 /nfs/dbraw/zinc/88/99/86/1068889986.db2.gz XYPOZOSFEHPMHD-HXUWFJFHSA-N 1 1 453.635 3.442 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC001305614876 1068891891 /nfs/dbraw/zinc/89/18/91/1068891891.db2.gz QMNMOUBDAPHPCT-SFHVURJKSA-N 1 1 495.628 3.096 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001305615396 1068892654 /nfs/dbraw/zinc/89/26/54/1068892654.db2.gz VHZVGYWAEFXIOD-KOSHJBKYSA-N 1 1 470.021 3.303 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001305615395 1068892780 /nfs/dbraw/zinc/89/27/80/1068892780.db2.gz VHZVGYWAEFXIOD-HOYKHHGWSA-N 1 1 470.021 3.303 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001305615576 1068893840 /nfs/dbraw/zinc/89/38/40/1068893840.db2.gz AXAWPIBXBIXHHQ-FOIQADDNSA-N 1 1 475.544 3.147 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001305615796 1068894278 /nfs/dbraw/zinc/89/42/78/1068894278.db2.gz CMBXRLTWACUYID-MJGOQNOKSA-N 1 1 493.699 3.071 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001305615796 1068894284 /nfs/dbraw/zinc/89/42/84/1068894284.db2.gz CMBXRLTWACUYID-MJGOQNOKSA-N 1 1 493.699 3.071 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)c1nccs1 ZINC001305616122 1068895308 /nfs/dbraw/zinc/89/53/08/1068895308.db2.gz ZEZUKQPYBZHPPM-HOTGVXAUSA-N 1 1 459.620 3.433 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001305616889 1068896441 /nfs/dbraw/zinc/89/64/41/1068896441.db2.gz JDNXAVOTVVOFJB-INIZCTEOSA-N 1 1 462.668 3.304 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 ZINC001305616786 1068896803 /nfs/dbraw/zinc/89/68/03/1068896803.db2.gz IGPVDZPUFIJWRG-RBUKOAKNSA-N 1 1 469.721 3.167 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 ZINC001305616784 1068896846 /nfs/dbraw/zinc/89/68/46/1068896846.db2.gz IGPVDZPUFIJWRG-MOPGFXCFSA-N 1 1 469.721 3.167 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001305617431 1068898054 /nfs/dbraw/zinc/89/80/54/1068898054.db2.gz HNMVIBQDGJVWQV-NFBKMPQASA-N 1 1 451.619 3.219 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001305617440 1068898181 /nfs/dbraw/zinc/89/81/81/1068898181.db2.gz HNOGDVOHMKVCGO-RBBKRZOGSA-N 1 1 458.626 3.039 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001305617649 1068898766 /nfs/dbraw/zinc/89/87/66/1068898766.db2.gz MFAXQEUTQXXYEV-NRFANRHFSA-N 1 1 490.718 3.416 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001305617592 1068898814 /nfs/dbraw/zinc/89/88/14/1068898814.db2.gz LYVYHCWBGNWVSH-TZIWHRDSSA-N 1 1 460.667 3.178 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001305617721 1068899368 /nfs/dbraw/zinc/89/93/68/1068899368.db2.gz MPTWMPYOOHXLLC-UEXGIBASSA-N 1 1 496.077 3.142 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@H]1CCCO1 ZINC001305617714 1068899410 /nfs/dbraw/zinc/89/94/10/1068899410.db2.gz MNOIASVDFVFKSQ-PWRODBHTSA-N 1 1 494.681 3.322 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001305617730 1068899818 /nfs/dbraw/zinc/89/98/18/1068899818.db2.gz MPTWMPYOOHXLLC-WFXMLNOXSA-N 1 1 496.077 3.142 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001305617854 1068900256 /nfs/dbraw/zinc/90/02/56/1068900256.db2.gz JOUHLKINSYMXJI-UPVQGACJSA-N 1 1 481.689 3.490 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001305617874 1068900482 /nfs/dbraw/zinc/90/04/82/1068900482.db2.gz AUXPBRNBUUHJJV-RBUKOAKNSA-N 1 1 455.582 3.454 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001305618651 1068901368 /nfs/dbraw/zinc/90/13/68/1068901368.db2.gz MCVKVBLIEMVMIZ-GOSISDBHSA-N 1 1 473.691 3.203 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001305619550 1068903305 /nfs/dbraw/zinc/90/33/05/1068903305.db2.gz JWTRAQYZRTUFMJ-QUCCMNQESA-N 1 1 474.675 3.253 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001305619954 1068904108 /nfs/dbraw/zinc/90/41/08/1068904108.db2.gz UJKWJUBFQOQSNC-KNQAVFIVSA-N 1 1 486.636 3.184 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001305620312 1068904733 /nfs/dbraw/zinc/90/47/33/1068904733.db2.gz JBPWHRPRIPKSRU-GIVPXCGWSA-N 1 1 491.681 3.185 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001305620508 1068905337 /nfs/dbraw/zinc/90/53/37/1068905337.db2.gz WOOUMDIMRSZPKI-QNWVGRARSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001305620893 1068906110 /nfs/dbraw/zinc/90/61/10/1068906110.db2.gz XPAVICRPKJRHOK-QSRFUDQGSA-N 1 1 495.734 3.475 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001305620931 1068906447 /nfs/dbraw/zinc/90/64/47/1068906447.db2.gz KXYGXFBUFAVRIQ-IBGZPJMESA-N 1 1 484.576 3.282 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001305621052 1068906873 /nfs/dbraw/zinc/90/68/73/1068906873.db2.gz YAJCTNDZOMQENJ-WIYYLYMNSA-N 1 1 459.038 3.454 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CC[C@@](O)(c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305621064 1068906897 /nfs/dbraw/zinc/90/68/97/1068906897.db2.gz LLUGFFPLVBRUNN-YMSRPXOMSA-N 1 1 489.636 3.286 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305621112 1068907504 /nfs/dbraw/zinc/90/75/04/1068907504.db2.gz LPNMHUHZWZNXSH-RTBURBONSA-N 1 1 481.638 3.130 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305621099 1068907638 /nfs/dbraw/zinc/90/76/38/1068907638.db2.gz LPNMHUHZWZNXSH-MOPGFXCFSA-N 1 1 481.638 3.130 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001305622182 1068910326 /nfs/dbraw/zinc/91/03/26/1068910326.db2.gz FRMFOQLKYOHZQX-SIKLNZKXSA-N 1 1 454.619 3.259 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001305622433 1068911051 /nfs/dbraw/zinc/91/10/51/1068911051.db2.gz RFWYFOAAOMUIHF-OAQYLSRUSA-N 1 1 478.645 3.321 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001305622986 1068912628 /nfs/dbraw/zinc/91/26/28/1068912628.db2.gz VNPLURGGVIWJAP-JAXLGGSGSA-N 1 1 454.619 3.097 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305623072 1068913064 /nfs/dbraw/zinc/91/30/64/1068913064.db2.gz WJLXTJJHQXSABX-RBBKRZOGSA-N 1 1 477.675 3.299 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccccc2OC)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001305623455 1068914202 /nfs/dbraw/zinc/91/42/02/1068914202.db2.gz UNULFLWWWXLYRX-LJQANCHMSA-N 1 1 486.686 3.416 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCC2(CCOCC2)C1 ZINC001305623641 1068914850 /nfs/dbraw/zinc/91/48/50/1068914850.db2.gz ZFOQOEMSHYDIIH-LJQANCHMSA-N 1 1 474.675 3.397 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCC2(CCOCC2)C1 ZINC001305623639 1068915011 /nfs/dbraw/zinc/91/50/11/1068915011.db2.gz ZFOQOEMSHYDIIH-IBGZPJMESA-N 1 1 474.675 3.397 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001305623744 1068915777 /nfs/dbraw/zinc/91/57/77/1068915777.db2.gz VXURYUOMJVMFSU-NLFFAJNJSA-N 1 1 470.618 3.235 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 ZINC001305623716 1068915888 /nfs/dbraw/zinc/91/58/88/1068915888.db2.gz VRWPRSBIRDNDRY-DENIHFKCSA-N 1 1 483.617 3.474 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1C(C)(C)C ZINC001305624153 1068916562 /nfs/dbraw/zinc/91/65/62/1068916562.db2.gz ZQWJKFRJEZMNFO-NRFANRHFSA-N 1 1 475.726 3.077 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001305623863 1068916666 /nfs/dbraw/zinc/91/66/66/1068916666.db2.gz OMHJXOAAERUHJC-AUSIDOKSSA-N 1 1 474.625 3.330 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305624167 1068917242 /nfs/dbraw/zinc/91/72/42/1068917242.db2.gz ZXFJQDMUMJBCGN-PZJWPPBQSA-N 1 1 459.660 3.102 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001305624893 1068918680 /nfs/dbraw/zinc/91/86/80/1068918680.db2.gz UJJQYOYPSHCULS-IFMALSPDSA-N 1 1 460.667 3.479 20 0 JGADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001305643549 1068966489 /nfs/dbraw/zinc/96/64/89/1068966489.db2.gz LWCRRMPJSYLSEE-VXKWHMMOSA-N 1 1 495.716 3.059 20 0 JGADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305644692 1068969293 /nfs/dbraw/zinc/96/92/93/1068969293.db2.gz HQDQJIHFDSBJMG-GMAHTHKFSA-N 1 1 481.689 3.022 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305644499 1068969666 /nfs/dbraw/zinc/96/96/66/1068969666.db2.gz PCRDSPLBOARJPS-RBBKRZOGSA-N 1 1 454.619 3.147 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001305655217 1068993654 /nfs/dbraw/zinc/99/36/54/1068993654.db2.gz RMBUPOKDUCQJAW-LGPLSSKUSA-N 1 1 496.700 3.481 20 0 JGADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001305659687 1069000415 /nfs/dbraw/zinc/00/04/15/1069000415.db2.gz SPSCNQLWYKRMTH-DEOSSOPVSA-N 1 1 492.668 3.422 20 0 JGADMO CC[C@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001305659687 1069000421 /nfs/dbraw/zinc/00/04/21/1069000421.db2.gz SPSCNQLWYKRMTH-DEOSSOPVSA-N 1 1 492.668 3.422 20 0 JGADMO CC[C@@H](c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC001305662334 1069002730 /nfs/dbraw/zinc/00/27/30/1069002730.db2.gz HMWOGMSMRMZVFP-DHIUTWEWSA-N 1 1 488.702 3.070 20 0 JGADMO CC[C@@H](c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC001305662340 1069002933 /nfs/dbraw/zinc/00/29/33/1069002933.db2.gz HMWOGMSMRMZVFP-XZOQPEGZSA-N 1 1 488.702 3.070 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305666767 1069009705 /nfs/dbraw/zinc/00/97/05/1069009705.db2.gz UXKLVZMXTFZHNW-NVQXNPDNSA-N 1 1 468.646 3.036 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001305667252 1069010787 /nfs/dbraw/zinc/01/07/87/1069010787.db2.gz WTMKYYXEHOYLNC-ZEQKJWHPSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCOCC(F)F)c1ccccc1 ZINC001305667499 1069010861 /nfs/dbraw/zinc/01/08/61/1069010861.db2.gz YLHLMYTUHMLBFO-RDPSFJRHSA-N 1 1 463.573 3.403 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H](F)COC)c1ccccc1 ZINC001305668203 1069011412 /nfs/dbraw/zinc/01/14/12/1069011412.db2.gz UOHSOLQEQBVNPW-RJGXRXQPSA-N 1 1 458.626 3.021 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001305669374 1069013484 /nfs/dbraw/zinc/01/34/84/1069013484.db2.gz DKFNSDFFCAKENB-RBJSKKJNSA-N 1 1 496.700 3.362 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001305669374 1069013491 /nfs/dbraw/zinc/01/34/91/1069013491.db2.gz DKFNSDFFCAKENB-RBJSKKJNSA-N 1 1 496.700 3.362 20 0 JGADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001305670570 1069016488 /nfs/dbraw/zinc/01/64/88/1069016488.db2.gz LEKLTWUZJBWJGI-OZXSUGGESA-N 1 1 495.716 3.152 20 0 JGADMO CC[C@H](c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCS(=O)(=O)N(C)C)c1ccccc1 ZINC001305671351 1069018339 /nfs/dbraw/zinc/01/83/39/1069018339.db2.gz OBHLFLRQRBGWGS-QHCPKHFHSA-N 1 1 488.702 3.166 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678323 1069034940 /nfs/dbraw/zinc/03/49/40/1069034940.db2.gz RURYHNZSSKBSLZ-ZJSXRUAMSA-N 1 1 454.663 3.197 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305679309 1069036490 /nfs/dbraw/zinc/03/64/90/1069036490.db2.gz HTDUHMPSQPNZRH-FGZHOGPDSA-N 1 1 484.645 3.256 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305679309 1069036496 /nfs/dbraw/zinc/03/64/96/1069036496.db2.gz HTDUHMPSQPNZRH-FGZHOGPDSA-N 1 1 484.645 3.256 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1ccn(C)n1)c1ccccc1 ZINC001305679341 1069036666 /nfs/dbraw/zinc/03/66/66/1069036666.db2.gz XFDQMMRFTPBFEL-GOTSBHOMSA-N 1 1 451.619 3.149 20 0 JGADMO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1)OC ZINC001305683478 1069042312 /nfs/dbraw/zinc/04/23/12/1069042312.db2.gz LIJCPHXHFFEVHF-UHFFFAOYSA-N 1 1 484.645 3.050 20 0 JGADMO CC[C@@H](c1nnc(N2CCO[C@H](COC)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001305683544 1069043171 /nfs/dbraw/zinc/04/31/71/1069043171.db2.gz QAIHYXDGQBKQPD-OEMFJLHTSA-N 1 1 471.646 3.173 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001305686885 1069048385 /nfs/dbraw/zinc/04/83/85/1069048385.db2.gz LHOXMBSPJDEZOX-DENIHFKCSA-N 1 1 487.645 3.324 20 0 JGADMO CCC(CC)c1cc(Cn2c(C)nnc2N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)on1 ZINC001305715274 1069120318 /nfs/dbraw/zinc/12/03/18/1069120318.db2.gz JNJUAFHRKQZEQI-UHFFFAOYSA-N 1 1 471.650 3.297 20 0 JGADMO CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)on1 ZINC001305715305 1069120338 /nfs/dbraw/zinc/12/03/38/1069120338.db2.gz KBUQVZIVEZSQEP-QGZVFWFLSA-N 1 1 466.590 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305720200 1069128547 /nfs/dbraw/zinc/12/85/47/1069128547.db2.gz KVNGDHKKAFVWAE-SQEGATDGSA-N 1 1 460.667 3.319 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001305720583 1069129065 /nfs/dbraw/zinc/12/90/65/1069129065.db2.gz BPQZNKYPOFCPFW-UXHICEINSA-N 1 1 458.607 3.242 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001305724098 1069138140 /nfs/dbraw/zinc/13/81/40/1069138140.db2.gz HXAHNIQQEHWENH-HNNXBMFYSA-N 1 1 496.582 3.070 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305724725 1069139825 /nfs/dbraw/zinc/13/98/25/1069139825.db2.gz KWAQGLRKWPWNFK-INIZCTEOSA-N 1 1 486.646 3.028 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305728533 1069148588 /nfs/dbraw/zinc/14/85/88/1069148588.db2.gz QRQRLSYRDJFJAV-SBHAEUEKSA-N 1 1 478.682 3.090 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737257 1069160302 /nfs/dbraw/zinc/16/03/02/1069160302.db2.gz GZWKUEAXVYDYPM-RBUKOAKNSA-N 1 1 467.662 3.438 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCOc1ccc(F)c(F)c1 ZINC001305738425 1069163716 /nfs/dbraw/zinc/16/37/16/1069163716.db2.gz FHADDOCLLBIZKJ-WMZOPIPTSA-N 1 1 476.572 3.227 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305738315 1069163735 /nfs/dbraw/zinc/16/37/35/1069163735.db2.gz CMDIILFYGMZAEL-LEWJYISDSA-N 1 1 460.667 3.202 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](C)c1nccs1 ZINC001305738334 1069163842 /nfs/dbraw/zinc/16/38/42/1069163842.db2.gz CPFRVDVNGDCLTD-WSTZPKSXSA-N 1 1 489.690 3.004 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccc(N(CC)CC)nc1 ZINC001305739154 1069166334 /nfs/dbraw/zinc/16/63/34/1069166334.db2.gz JPONSEIYMNNFSD-DENIHFKCSA-N 1 1 482.677 3.159 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305742484 1069176660 /nfs/dbraw/zinc/17/66/60/1069176660.db2.gz PQWDQIUWINAADV-OAQYLSRUSA-N 1 1 473.710 3.382 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CC[NH+]1CCSCC1 ZINC001305745396 1069185525 /nfs/dbraw/zinc/18/55/25/1069185525.db2.gz SMPQKDVPKULVJS-FXAWDEMLSA-N 1 1 492.715 3.273 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001305750610 1069196716 /nfs/dbraw/zinc/19/67/16/1069196716.db2.gz YKSRFJFQPUMTNH-PXNSSMCTSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001305750610 1069196723 /nfs/dbraw/zinc/19/67/23/1069196723.db2.gz YKSRFJFQPUMTNH-PXNSSMCTSA-N 1 1 474.675 3.178 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3ccnn3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305755649 1069207998 /nfs/dbraw/zinc/20/79/98/1069207998.db2.gz OEDNDZLYPGAJJZ-FQEVSTJZSA-N 1 1 499.708 3.215 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)c1cccc(C)c1 ZINC001305755991 1069208913 /nfs/dbraw/zinc/20/89/13/1069208913.db2.gz QLBFAQQEWMZTPU-YADHBBJMSA-N 1 1 482.673 3.467 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305758473 1069217536 /nfs/dbraw/zinc/21/75/36/1069217536.db2.gz FYYIWJQNZRBRHH-IBGZPJMESA-N 1 1 498.672 3.303 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CCC[NH+]1CCOCC1 ZINC001305760528 1069225176 /nfs/dbraw/zinc/22/51/76/1069225176.db2.gz AJEQKMKBNQIMAF-QGZVFWFLSA-N 1 1 490.599 3.321 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001305769425 1069244742 /nfs/dbraw/zinc/24/47/42/1069244742.db2.gz CJBXKUIRRHOEDC-RXVVDRJESA-N 1 1 460.667 3.465 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001305772714 1069251753 /nfs/dbraw/zinc/25/17/53/1069251753.db2.gz JZCOMDFXLVIAKU-NHCUHLMSSA-N 1 1 491.725 3.006 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001305772714 1069251768 /nfs/dbraw/zinc/25/17/68/1069251768.db2.gz JZCOMDFXLVIAKU-NHCUHLMSSA-N 1 1 491.725 3.006 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1ccc(O)cc1 ZINC001305775923 1069258681 /nfs/dbraw/zinc/25/86/81/1069258681.db2.gz GQDHRUSMCHDWLH-UHFFFAOYSA-N 1 1 454.619 3.405 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305776309 1069259967 /nfs/dbraw/zinc/25/99/67/1069259967.db2.gz SVDAEOMZGRPHOX-WIYYLYMNSA-N 1 1 456.639 3.003 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305776480 1069260221 /nfs/dbraw/zinc/26/02/21/1069260221.db2.gz ULTFBVPFZVAXMK-NNMXDRDESA-N 1 1 470.666 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCn1cnc2ccccc21 ZINC001305777271 1069262696 /nfs/dbraw/zinc/26/26/96/1069262696.db2.gz XXDZJWQPAWDROT-UHFFFAOYSA-N 1 1 466.634 3.167 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305779935 1069269478 /nfs/dbraw/zinc/26/94/78/1069269478.db2.gz IUBLITIYRDOKDN-PMACEKPBSA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305783337 1069277372 /nfs/dbraw/zinc/27/73/72/1069277372.db2.gz VEMNLNSMQKNBSY-KRWDZBQOSA-N 1 1 489.615 3.284 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001305785367 1069285768 /nfs/dbraw/zinc/28/57/68/1069285768.db2.gz FDTKKXJWMPDSBZ-ZWKOTPCHSA-N 1 1 460.598 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001305785795 1069287752 /nfs/dbraw/zinc/28/77/52/1069287752.db2.gz LPLLDZMPULZNQO-SBUREZEXSA-N 1 1 496.578 3.177 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCc1ccccc1F ZINC001305785910 1069288523 /nfs/dbraw/zinc/28/85/23/1069288523.db2.gz OLOXNXBOVLNFMV-IBGZPJMESA-N 1 1 486.636 3.268 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[C@H]1C[C@H](F)C1 ZINC001305786133 1069288914 /nfs/dbraw/zinc/28/89/14/1069288914.db2.gz QRWUQJDFFVISJX-FHWLQOOXSA-N 1 1 464.630 3.024 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@H]1CC=CCC1 ZINC001305786187 1069289688 /nfs/dbraw/zinc/28/96/88/1069289688.db2.gz SQFNXROBBVCUKJ-URXFXBBRSA-N 1 1 480.657 3.408 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305787451 1069293480 /nfs/dbraw/zinc/29/34/80/1069293480.db2.gz ACHBVZDEWJJIKI-SFHVURJKSA-N 1 1 479.551 3.333 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CC ZINC001305787942 1069295559 /nfs/dbraw/zinc/29/55/59/1069295559.db2.gz QJXTZEJWZFPLIW-XUZZJYLKSA-N 1 1 481.689 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@H+]1CC ZINC001305787942 1069295565 /nfs/dbraw/zinc/29/55/65/1069295565.db2.gz QJXTZEJWZFPLIW-XUZZJYLKSA-N 1 1 481.689 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001305788599 1069297603 /nfs/dbraw/zinc/29/76/03/1069297603.db2.gz YGRVCZGPVXLQNV-RBBKRZOGSA-N 1 1 490.693 3.235 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001305791231 1069304063 /nfs/dbraw/zinc/30/40/63/1069304063.db2.gz ZXXLCJSQLOETBT-RXVVDRJESA-N 1 1 472.609 3.478 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305792175 1069305746 /nfs/dbraw/zinc/30/57/46/1069305746.db2.gz RUVPWLSVFNSWCP-FQRUVTKNSA-N 1 1 468.646 3.290 20 0 JGADMO CCOC(=O)c1nc2n(n1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164616890 719005956 /nfs/dbraw/zinc/00/59/56/719005956.db2.gz OZVCUGKBLHMRPE-UHFFFAOYSA-N 1 1 481.626 3.344 20 0 JGADMO CN(C)C(=O)CN1CC[C@@]2(C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2c2ccccc2)C1=O ZINC001164633729 719145556 /nfs/dbraw/zinc/14/55/56/719145556.db2.gz SMHDYTVNVARCGI-NLFFAJNJSA-N 1 1 455.002 3.376 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc1 ZINC001164635108 719259446 /nfs/dbraw/zinc/25/94/46/719259446.db2.gz HSDOQYMGRSOGQA-QHCPKHFHSA-N 1 1 481.645 3.159 20 0 JGADMO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)nn1 ZINC001164639720 719265376 /nfs/dbraw/zinc/26/53/76/719265376.db2.gz QUFMSVBATSYTPG-YADARESESA-N 1 1 473.021 3.153 20 0 JGADMO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)nn1 ZINC001164639718 719265445 /nfs/dbraw/zinc/26/54/45/719265445.db2.gz QUFMSVBATSYTPG-DVECYGJZSA-N 1 1 473.021 3.153 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164635766 719266408 /nfs/dbraw/zinc/26/64/08/719266408.db2.gz IFJQRTXESURZRB-POGFHVCPSA-N 1 1 466.630 3.451 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nnc(-c4ccc(F)cc4)c4ccccc43)CC2)C1=O ZINC001164644478 719280732 /nfs/dbraw/zinc/28/07/32/719280732.db2.gz LEDNHZASVWIMIS-UHFFFAOYSA-N 1 1 463.557 3.195 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nnc(-c4ccc(F)cc4)c4ccccc43)CC2)C1=O ZINC001164644478 719280735 /nfs/dbraw/zinc/28/07/35/719280735.db2.gz LEDNHZASVWIMIS-UHFFFAOYSA-N 1 1 463.557 3.195 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c12 ZINC001164648745 719307143 /nfs/dbraw/zinc/30/71/43/719307143.db2.gz QZXZEYVAJJENDM-UHFFFAOYSA-N 1 1 461.570 3.461 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164650194 719313740 /nfs/dbraw/zinc/31/37/40/719313740.db2.gz AVEGSTZCWGCOSC-UHFFFAOYSA-N 1 1 456.591 3.255 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)CC2 ZINC001164651052 719314048 /nfs/dbraw/zinc/31/40/48/719314048.db2.gz HDMZARSLJCELIX-UHFFFAOYSA-N 1 1 470.599 3.074 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)CC2 ZINC001164652639 719317828 /nfs/dbraw/zinc/31/78/28/719317828.db2.gz KJUGUESITSLHLA-UHFFFAOYSA-N 1 1 461.966 3.085 20 0 JGADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21 ZINC001164654123 719319032 /nfs/dbraw/zinc/31/90/32/719319032.db2.gz OXGPPFWWSUNZTE-JBBQQGGESA-N 1 1 487.604 3.350 20 0 JGADMO Cc1oncc1C(=O)N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@@H]12 ZINC001164655845 719319705 /nfs/dbraw/zinc/31/97/05/719319705.db2.gz ZOKXXDAVWGEIKA-LDQXTDLNSA-N 1 1 459.978 3.041 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnoc3C)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164649298 719320747 /nfs/dbraw/zinc/32/07/47/719320747.db2.gz BZLCGWLRYZNSQO-IEEQIXEPSA-N 1 1 453.587 3.339 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)C2)cc[nH+]1 ZINC001164665434 719357564 /nfs/dbraw/zinc/35/75/64/719357564.db2.gz XFKFCXYKOYZVKB-JOCHJYFZSA-N 1 1 493.990 3.143 20 0 JGADMO CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1C ZINC001164670357 719442562 /nfs/dbraw/zinc/44/25/62/719442562.db2.gz NWSJXBCGZUJLCZ-MJGOQNOKSA-N 1 1 482.606 3.295 20 0 JGADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672958 719496075 /nfs/dbraw/zinc/49/60/75/719496075.db2.gz LNRVQZHQWAHYND-UHFFFAOYSA-N 1 1 450.514 3.427 20 0 JGADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672958 719496081 /nfs/dbraw/zinc/49/60/81/719496081.db2.gz LNRVQZHQWAHYND-UHFFFAOYSA-N 1 1 450.514 3.427 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164681694 719664093 /nfs/dbraw/zinc/66/40/93/719664093.db2.gz PYPNVSIHVGRSDL-QGZVFWFLSA-N 1 1 482.032 3.408 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)CC2 ZINC001164689385 719748184 /nfs/dbraw/zinc/74/81/84/719748184.db2.gz DNXJJKOLILWYOB-UHFFFAOYSA-N 1 1 477.638 3.208 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]32)nc1 ZINC001164691441 719800383 /nfs/dbraw/zinc/80/03/83/719800383.db2.gz GYAAFBBBTNVYTB-MOPGFXCFSA-N 1 1 477.638 3.050 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5OCCN(c6ncccn6)[C@@H]5C3)n2)CCC4)CC1 ZINC001164690914 719800944 /nfs/dbraw/zinc/80/09/44/719800944.db2.gz CLAXKETUDBCTCF-WOJBJXKFSA-N 1 1 491.665 3.296 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCCN(c4ncccn4)[C@H]3C2)n1 ZINC001164691783 719801543 /nfs/dbraw/zinc/80/15/43/719801543.db2.gz JYLNDESDDHJPLR-VQTJNVASSA-N 1 1 473.606 3.304 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164694368 719810569 /nfs/dbraw/zinc/81/05/69/719810569.db2.gz WHJQVGHFICKCII-UHFFFAOYSA-N 1 1 490.033 3.443 20 0 JGADMO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164695756 719834912 /nfs/dbraw/zinc/83/49/12/719834912.db2.gz OGARYYZUYZICPP-XMMPIXPASA-N 1 1 481.604 3.484 20 0 JGADMO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164695851 719835338 /nfs/dbraw/zinc/83/53/38/719835338.db2.gz PPCTWZRXZVNHAI-IBGZPJMESA-N 1 1 453.978 3.175 20 0 JGADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cc2ccccc2)c2ccccc21 ZINC001164699849 719866859 /nfs/dbraw/zinc/86/68/59/719866859.db2.gz CEJLMNHVLGJKDZ-KDYSTLNUSA-N 1 1 460.578 3.453 20 0 JGADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cc2ccccc2)c2ccccc21 ZINC001164699850 719866897 /nfs/dbraw/zinc/86/68/97/719866897.db2.gz CEJLMNHVLGJKDZ-ZBLYBZFDSA-N 1 1 460.578 3.453 20 0 JGADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cc2ccccc2)c2ccccc21 ZINC001164699848 719867120 /nfs/dbraw/zinc/86/71/20/719867120.db2.gz CEJLMNHVLGJKDZ-JIPXPUAJSA-N 1 1 460.578 3.453 20 0 JGADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC001164707671 719868677 /nfs/dbraw/zinc/86/86/77/719868677.db2.gz VFPNKQRYYODSNU-DWXRJYCRSA-N 1 1 493.633 3.475 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)n1 ZINC001164704366 719884130 /nfs/dbraw/zinc/88/41/30/719884130.db2.gz VYUQRXQFDGOZRV-QRVBRYPASA-N 1 1 495.653 3.277 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1 ZINC001164700898 719885127 /nfs/dbraw/zinc/88/51/27/719885127.db2.gz MUEAQKBXDYYMNI-CIAFKFPVSA-N 1 1 450.587 3.146 20 0 JGADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc-2n1 ZINC001164696046 719891897 /nfs/dbraw/zinc/89/18/97/719891897.db2.gz VNZUMKOCKDSJJZ-UHFFFAOYSA-N 1 1 456.568 3.291 20 0 JGADMO Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC001164710945 720075138 /nfs/dbraw/zinc/07/51/38/720075138.db2.gz KZDRWGAKFNPNBI-MOPGFXCFSA-N 1 1 477.638 3.284 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)C2 ZINC001164807359 720079127 /nfs/dbraw/zinc/07/91/27/720079127.db2.gz FCQSXKXLCZRSPJ-HFZDXXHNSA-N 1 1 495.649 3.161 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164806811 720084856 /nfs/dbraw/zinc/08/48/56/720084856.db2.gz DHBZJQZOVCOHLQ-UTKZUKDTSA-N 1 1 455.981 3.460 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC(=O)N3CCCC3)c2c1C ZINC001164714957 720085177 /nfs/dbraw/zinc/08/51/77/720085177.db2.gz XQZWWWZZHCSRRE-NMMYMHLASA-N 1 1 499.681 3.279 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(cccc3C(=O)OC)n1)CC2 ZINC001164719039 720109275 /nfs/dbraw/zinc/10/92/75/720109275.db2.gz UXUKSJGHIJHSOJ-FQEVSTJZSA-N 1 1 461.566 3.319 20 0 JGADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164719649 720113676 /nfs/dbraw/zinc/11/36/76/720113676.db2.gz ZSODPQKPKBPDHW-IBGZPJMESA-N 1 1 474.005 3.138 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)C2 ZINC001164813760 720113826 /nfs/dbraw/zinc/11/38/26/720113826.db2.gz QKKQBWHIRJVJCJ-BSRJHKFKSA-N 1 1 461.010 3.364 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)nc2N1C1CCCC1 ZINC001164815921 720115252 /nfs/dbraw/zinc/11/52/52/720115252.db2.gz XLUSKBQDMNHWOL-AJFLCOCNSA-N 1 1 482.673 3.165 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(N3CCCCCC3)n1)CC2 ZINC001164710870 720141173 /nfs/dbraw/zinc/14/11/73/720141173.db2.gz FGRAOMCBNFPCAT-JOCHJYFZSA-N 1 1 481.645 3.163 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164714152 720142915 /nfs/dbraw/zinc/14/29/15/720142915.db2.gz WKZDLCRUIAYQRT-MRXNPFEDSA-N 1 1 477.947 3.405 20 0 JGADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164715121 720158037 /nfs/dbraw/zinc/15/80/37/720158037.db2.gz STIFOAVDGUQDAA-OFNKIYASSA-N 1 1 479.625 3.047 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]1)C2 ZINC001164817894 720158745 /nfs/dbraw/zinc/15/87/45/720158745.db2.gz QRARKMFCQGGJGA-DFHRPNOPSA-N 1 1 476.621 3.431 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 ZINC001164815970 720181402 /nfs/dbraw/zinc/18/14/02/720181402.db2.gz JEFFEAVDJUEBGK-LVXARBLLSA-N 1 1 450.583 3.490 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CCC2 ZINC001164814573 720216689 /nfs/dbraw/zinc/21/66/89/720216689.db2.gz UJUKPLONCHFXTN-UHFFFAOYSA-N 1 1 473.021 3.168 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CCC2 ZINC001164812718 720226281 /nfs/dbraw/zinc/22/62/81/720226281.db2.gz IKWKXXZWFRBKFU-UHFFFAOYSA-N 1 1 461.010 3.071 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1C ZINC001164812302 720236761 /nfs/dbraw/zinc/23/67/61/720236761.db2.gz DTYUIKPIEVHYMO-UHFFFAOYSA-N 1 1 484.626 3.292 20 0 JGADMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164816331 720243929 /nfs/dbraw/zinc/24/39/29/720243929.db2.gz IFDURVUGAADAGQ-UHFFFAOYSA-N 1 1 453.978 3.308 20 0 JGADMO O=C([C@H]1Cn2nccc2CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164816738 720262531 /nfs/dbraw/zinc/26/25/31/720262531.db2.gz LTCUTZKNULCVIK-HSZRJFAPSA-N 1 1 456.594 3.095 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)C2)C1 ZINC001164720758 720266840 /nfs/dbraw/zinc/26/68/40/720266840.db2.gz DCCGYXNWURGXSN-JOCHJYFZSA-N 1 1 467.397 3.215 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)C2)C1 ZINC001164720758 720266856 /nfs/dbraw/zinc/26/68/56/720266856.db2.gz DCCGYXNWURGXSN-JOCHJYFZSA-N 1 1 467.397 3.215 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5ccc(OC)cc5)c43)C2)C1 ZINC001164723275 720282769 /nfs/dbraw/zinc/28/27/69/720282769.db2.gz VWFAREOOKISMGY-RUZDIDTESA-N 1 1 481.622 3.032 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5ccc(OC)cc5)c43)C2)C1 ZINC001164723275 720282775 /nfs/dbraw/zinc/28/27/75/720282775.db2.gz VWFAREOOKISMGY-RUZDIDTESA-N 1 1 481.622 3.032 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4scc(-c5cccs5)c43)C2)C1 ZINC001164723758 720288206 /nfs/dbraw/zinc/28/82/06/720288206.db2.gz XYEWLILGOOBJLD-QHCPKHFHSA-N 1 1 471.652 3.393 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4scc(-c5cccs5)c43)C2)C1 ZINC001164723758 720288212 /nfs/dbraw/zinc/28/82/12/720288212.db2.gz XYEWLILGOOBJLD-QHCPKHFHSA-N 1 1 471.652 3.393 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4Cl)nc(C)c3C)C2)C1 ZINC001164723797 720297381 /nfs/dbraw/zinc/29/73/81/720297381.db2.gz YBHHZMWNAIWDPZ-XMMPIXPASA-N 1 1 458.006 3.079 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4Cl)nc(C)c3C)C2)C1 ZINC001164723797 720297397 /nfs/dbraw/zinc/29/73/97/720297397.db2.gz YBHHZMWNAIWDPZ-XMMPIXPASA-N 1 1 458.006 3.079 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](COCC(=O)N(C)C)CC[C@H]43)c2c1C ZINC001164721165 720323308 /nfs/dbraw/zinc/32/33/08/720323308.db2.gz AWXFCAORIRWSFD-AQNXPRMDSA-N 1 1 487.670 3.135 20 0 JGADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@@H](CO)C3)O2)n1 ZINC001164830442 720406317 /nfs/dbraw/zinc/40/63/17/720406317.db2.gz QURQEFZJMKHYAP-CIQXWFTPSA-N 1 1 498.628 3.071 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1CN1CC[C@@H](CO)C1 ZINC001164729290 720416737 /nfs/dbraw/zinc/41/67/37/720416737.db2.gz GQPCXUIEVLGNNV-NQHRYMMQSA-N 1 1 492.668 3.129 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1CN1CC[C@@H](CO)C1 ZINC001164729290 720416740 /nfs/dbraw/zinc/41/67/40/720416740.db2.gz GQPCXUIEVLGNNV-NQHRYMMQSA-N 1 1 492.668 3.129 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164732432 720423272 /nfs/dbraw/zinc/42/32/72/720423272.db2.gz NIIALYDNFZXJRG-DOIPELPJSA-N 1 1 497.594 3.474 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)ccc-3c2=O)cc1 ZINC001164735340 720429497 /nfs/dbraw/zinc/42/94/97/720429497.db2.gz WHUSAKIUUWHECK-RPBOFIJWSA-N 1 1 455.562 3.494 20 0 JGADMO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735956 720439194 /nfs/dbraw/zinc/43/91/94/720439194.db2.gz ZXXONDPADWPJEG-NHCUHLMSSA-N 1 1 476.650 3.260 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)nc1 ZINC001164834838 720479440 /nfs/dbraw/zinc/47/94/40/720479440.db2.gz VTTHOGJYXBIXSP-NOZRDPDXSA-N 1 1 482.673 3.205 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CCOC[C@@]4(C[C@H](CNc5cccc(F)c5)CO4)C3)c2)CC1 ZINC001164724819 720496122 /nfs/dbraw/zinc/49/61/22/720496122.db2.gz IDHFPHOFROFFPH-FQRUVTKNSA-N 1 1 470.589 3.418 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CCOC[C@]4(C[C@H](CNc5cccc(F)c5)CO4)C3)c2)CC1 ZINC001164724820 720496591 /nfs/dbraw/zinc/49/65/91/720496591.db2.gz IDHFPHOFROFFPH-IBVKSMDESA-N 1 1 470.589 3.418 20 0 JGADMO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]21)N1CCCCC1 ZINC001164833492 720499606 /nfs/dbraw/zinc/49/96/06/720499606.db2.gz PEEBLVQOSJQBLN-PLXFJCCSSA-N 1 1 475.637 3.279 20 0 JGADMO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]21)N1CCCCC1 ZINC001164833492 720499608 /nfs/dbraw/zinc/49/96/08/720499608.db2.gz PEEBLVQOSJQBLN-PLXFJCCSSA-N 1 1 475.637 3.279 20 0 JGADMO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164726366 720499852 /nfs/dbraw/zinc/49/98/52/720499852.db2.gz LLTNRAGSJNMSQE-SHQCIBLASA-N 1 1 470.577 3.054 20 0 JGADMO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164726366 720499859 /nfs/dbraw/zinc/49/98/59/720499859.db2.gz LLTNRAGSJNMSQE-SHQCIBLASA-N 1 1 470.577 3.054 20 0 JGADMO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21)N1CCCCC1 ZINC001164833491 720499842 /nfs/dbraw/zinc/49/98/42/720499842.db2.gz PEEBLVQOSJQBLN-FXSPECFOSA-N 1 1 475.637 3.279 20 0 JGADMO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]21)N1CCCCC1 ZINC001164833491 720499854 /nfs/dbraw/zinc/49/98/54/720499854.db2.gz PEEBLVQOSJQBLN-FXSPECFOSA-N 1 1 475.637 3.279 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840581 720518922 /nfs/dbraw/zinc/51/89/22/720518922.db2.gz WJRPHCYRHBLHNK-YESZJQIVSA-N 1 1 453.969 3.315 20 0 JGADMO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC(C)=O ZINC001164835414 720575218 /nfs/dbraw/zinc/57/52/18/720575218.db2.gz HDFFAMBGFNMBQS-TXTKFYIRSA-N 1 1 492.580 3.055 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835971 720577117 /nfs/dbraw/zinc/57/71/17/720577117.db2.gz DGGXEPMMBIDHIL-CNNODRBYSA-N 1 1 482.629 3.427 20 0 JGADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738548 720662766 /nfs/dbraw/zinc/66/27/66/720662766.db2.gz KKCJAIPNOGLPEF-ROUUACIJSA-N 1 1 458.900 3.474 20 0 JGADMO CCOC(=O)c1nnc(SC)nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840488 720676326 /nfs/dbraw/zinc/67/63/26/720676326.db2.gz FLFJNXXESXFUCN-SFHVURJKSA-N 1 1 457.600 3.030 20 0 JGADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164742676 720687698 /nfs/dbraw/zinc/68/76/98/720687698.db2.gz WHTRCPRFWJNZNC-YADHBBJMSA-N 1 1 451.534 3.338 20 0 JGADMO Fc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164736858 720689396 /nfs/dbraw/zinc/68/93/96/720689396.db2.gz BRKDKWRONQQEPN-KGLIPLIRSA-N 1 1 450.852 3.099 20 0 JGADMO Fc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164736858 720689411 /nfs/dbraw/zinc/68/94/11/720689411.db2.gz BRKDKWRONQQEPN-KGLIPLIRSA-N 1 1 450.852 3.099 20 0 JGADMO Fc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164736859 720689885 /nfs/dbraw/zinc/68/98/85/720689885.db2.gz BRKDKWRONQQEPN-UONOGXRCSA-N 1 1 450.852 3.099 20 0 JGADMO Fc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164736859 720689892 /nfs/dbraw/zinc/68/98/92/720689892.db2.gz BRKDKWRONQQEPN-UONOGXRCSA-N 1 1 450.852 3.099 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840553 720698927 /nfs/dbraw/zinc/69/89/27/720698927.db2.gz GMGWAGGFADHGMP-LJQANCHMSA-N 1 1 499.015 3.303 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839338 720706933 /nfs/dbraw/zinc/70/69/33/720706933.db2.gz LDLQJNSDQLTHQI-FQEVSTJZSA-N 1 1 463.582 3.405 20 0 JGADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2C1 ZINC001164838928 720729718 /nfs/dbraw/zinc/72/97/18/720729718.db2.gz ZLGOWJVKEUJBNI-JTHBVZDNSA-N 1 1 464.610 3.405 20 0 JGADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741783 720762736 /nfs/dbraw/zinc/76/27/36/720762736.db2.gz MZSTZOUTKRGDLI-VXKWHMMOSA-N 1 1 455.566 3.228 20 0 JGADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741778 720763559 /nfs/dbraw/zinc/76/35/59/720763559.db2.gz MZSTZOUTKRGDLI-FGZHOGPDSA-N 1 1 455.566 3.228 20 0 JGADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164741049 720765400 /nfs/dbraw/zinc/76/54/00/720765400.db2.gz LYNHOGSCMXHTOB-PMACEKPBSA-N 1 1 450.930 3.119 20 0 JGADMO COc1cccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164740460 720783571 /nfs/dbraw/zinc/78/35/71/720783571.db2.gz LFZPXYJUZHMDCD-PZJWPPBQSA-N 1 1 454.534 3.437 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745437 720792701 /nfs/dbraw/zinc/79/27/01/720792701.db2.gz KJVBXBFWEOXTCI-MSOLQXFVSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745437 720792705 /nfs/dbraw/zinc/79/27/05/720792705.db2.gz KJVBXBFWEOXTCI-MSOLQXFVSA-N 1 1 458.900 3.474 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@H]2COC[C@@H]21)C1CCC1 ZINC001164849640 720803297 /nfs/dbraw/zinc/80/32/97/720803297.db2.gz SHBJJGTWZKHMBL-AQNXPRMDSA-N 1 1 481.666 3.286 20 0 JGADMO C[C@H]1CCCN1C(=O)c1nn(-c2ccc3c(n2)CCN(Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164850655 720805789 /nfs/dbraw/zinc/80/57/89/720805789.db2.gz VQUHNZSPXHVTRB-IBGZPJMESA-N 1 1 456.594 3.096 20 0 JGADMO c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743282 720815431 /nfs/dbraw/zinc/81/54/31/720815431.db2.gz RUQZDHFNCUOIEK-CLCZQPDDSA-N 1 1 484.652 3.006 20 0 JGADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745102 720821524 /nfs/dbraw/zinc/82/15/24/720821524.db2.gz WFJOLEOVCNFSGR-CEXWTWQISA-N 1 1 458.994 3.191 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cnc1Cl ZINC001164739197 720821569 /nfs/dbraw/zinc/82/15/69/720821569.db2.gz HQSWYKNUCXAINZ-VDZJLULYSA-N 1 1 480.947 3.037 20 0 JGADMO c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739766 720825183 /nfs/dbraw/zinc/82/51/83/720825183.db2.gz IKJZAPIYOVXLOC-CLCZQPDDSA-N 1 1 484.652 3.006 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745620 720826047 /nfs/dbraw/zinc/82/60/47/720826047.db2.gz XIBFXZFMGJPNQD-LVCYWYKZSA-N 1 1 496.015 3.431 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742629 720826109 /nfs/dbraw/zinc/82/61/09/720826109.db2.gz QEVAJWJMIFURIE-XYJFISCASA-N 1 1 480.947 3.037 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)OCC ZINC001164742858 720829084 /nfs/dbraw/zinc/82/90/84/720829084.db2.gz RANOILJGTGQEPA-SVFBPWRDSA-N 1 1 490.052 3.043 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)OCC ZINC001164742848 720829204 /nfs/dbraw/zinc/82/92/04/720829204.db2.gz RANOILJGTGQEPA-IRFCIJBXSA-N 1 1 490.052 3.043 20 0 JGADMO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164746559 720833010 /nfs/dbraw/zinc/83/30/10/720833010.db2.gz OLOPAYCRLOIJCF-YQVWRLOYSA-N 1 1 453.978 3.263 20 0 JGADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741943 720833325 /nfs/dbraw/zinc/83/33/25/720833325.db2.gz GDPILANXXMUWAU-NLWGTHIKSA-N 1 1 472.037 3.234 20 0 JGADMO Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739996 720833495 /nfs/dbraw/zinc/83/34/95/720833495.db2.gz BKUVDGBRTSXGJC-FDFHNCONSA-N 1 1 456.038 3.302 20 0 JGADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751002 720839660 /nfs/dbraw/zinc/83/96/60/720839660.db2.gz XPWGPKUQDYBZBI-FGTMMUONSA-N 1 1 455.998 3.032 20 0 JGADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751005 720839776 /nfs/dbraw/zinc/83/97/76/720839776.db2.gz XPWGPKUQDYBZBI-RCCFBDPRSA-N 1 1 455.998 3.032 20 0 JGADMO CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164746668 720841592 /nfs/dbraw/zinc/84/15/92/720841592.db2.gz PXXZJIFWSNOGCT-NMVJMZGASA-N 1 1 458.614 3.181 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164748938 720844380 /nfs/dbraw/zinc/84/43/80/720844380.db2.gz VDJAYMDJSFQSAW-XQBPLPMBSA-N 1 1 496.015 3.431 20 0 JGADMO Clc1nc2c(Cl)nccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745207 720845167 /nfs/dbraw/zinc/84/51/67/720845167.db2.gz MRNYXRMNQYNVBV-HLLBOEOZSA-N 1 1 459.385 3.303 20 0 JGADMO O=C(c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CCc2ccccc21 ZINC001164751950 720846307 /nfs/dbraw/zinc/84/63/07/720846307.db2.gz ZXBXEAVIPXDRTB-JCYRPKCISA-N 1 1 483.620 3.255 20 0 JGADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164753097 720854681 /nfs/dbraw/zinc/85/46/81/720854681.db2.gz WNVYRZBQCPWFGX-YTFSRNRJSA-N 1 1 472.597 3.008 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164749461 720855251 /nfs/dbraw/zinc/85/52/51/720855251.db2.gz NGFMWHAUBXRJGK-GIFXNVAJSA-N 1 1 488.640 3.093 20 0 JGADMO Cc1nc([C@@H]2COCCN2c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)cs1 ZINC001164753044 720864012 /nfs/dbraw/zinc/86/40/12/720864012.db2.gz VNGFRVMRPKKANV-UTKZUKDTSA-N 1 1 473.643 3.223 20 0 JGADMO Cc1nc([C@@H]2COCCN2c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)cs1 ZINC001164753044 720864014 /nfs/dbraw/zinc/86/40/14/720864014.db2.gz VNGFRVMRPKKANV-UTKZUKDTSA-N 1 1 473.643 3.223 20 0 JGADMO O=C(c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CCCC1 ZINC001164754325 720868793 /nfs/dbraw/zinc/86/87/93/720868793.db2.gz REMKPRDUGPMCEE-UFHPHHKVSA-N 1 1 475.637 3.468 20 0 JGADMO COc1cnc(SC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752996 720873542 /nfs/dbraw/zinc/87/35/42/720873542.db2.gz ODFWWHJDRPFOTF-RDPSFJRHSA-N 1 1 455.628 3.357 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164859119 720875738 /nfs/dbraw/zinc/87/57/38/720875738.db2.gz LQFGNLINYBLDIR-RTWAWAEBSA-N 1 1 473.687 3.468 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164859342 720876638 /nfs/dbraw/zinc/87/66/38/720876638.db2.gz MTRVIFDWTGYJAK-AZUAARDMSA-N 1 1 465.623 3.416 20 0 JGADMO COC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164752225 720880922 /nfs/dbraw/zinc/88/09/22/720880922.db2.gz MBCQHQUBNDWCST-GJZUVCINSA-N 1 1 450.583 3.327 20 0 JGADMO COC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164752228 720880961 /nfs/dbraw/zinc/88/09/61/720880961.db2.gz MBCQHQUBNDWCST-NVQXNPDNSA-N 1 1 450.583 3.327 20 0 JGADMO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747224 720881298 /nfs/dbraw/zinc/88/12/98/720881298.db2.gz APNBROFQNSXGGX-BKMJKUGQSA-N 1 1 465.598 3.112 20 0 JGADMO CSc1nc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748462 720881331 /nfs/dbraw/zinc/88/13/31/720881331.db2.gz DXYRTQRFEIIFPV-XMSQKQJNSA-N 1 1 461.035 3.397 20 0 JGADMO COC(=O)c1cc(OC)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753944 720882145 /nfs/dbraw/zinc/88/21/45/720882145.db2.gz HVWMXOGLBYBMOH-LVXARBLLSA-N 1 1 466.582 3.027 20 0 JGADMO COC(=O)c1c[nH]c2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164751643 720882247 /nfs/dbraw/zinc/88/22/47/720882247.db2.gz DBGAXVLNIWRPTN-IDISGSTGSA-N 1 1 475.593 3.500 20 0 JGADMO COC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1F ZINC001164758848 720882942 /nfs/dbraw/zinc/88/29/42/720882942.db2.gz ZVWUKAJNBCQTDD-NLFFAJNJSA-N 1 1 454.546 3.157 20 0 JGADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756862 720890501 /nfs/dbraw/zinc/89/05/01/720890501.db2.gz RSDNOUHVTJNNSQ-RLWLMLJZSA-N 1 1 468.573 3.466 20 0 JGADMO Clc1ncc(N2CCOCC2)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758159 720891024 /nfs/dbraw/zinc/89/10/24/720891024.db2.gz XHMRSOTUHXTYTL-ATIYNZHBSA-N 1 1 499.059 3.117 20 0 JGADMO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164758424 720891800 /nfs/dbraw/zinc/89/18/00/720891800.db2.gz XYDFSSHFGYEPNP-JJHGTGHCSA-N 1 1 462.598 3.072 20 0 JGADMO COC(=O)c1nc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756237 720891830 /nfs/dbraw/zinc/89/18/30/720891830.db2.gz OOKPIQAXYGJDAM-NTKDMRAZSA-N 1 1 471.989 3.067 20 0 JGADMO CN(C)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756593 720892423 /nfs/dbraw/zinc/89/24/23/720892423.db2.gz QSMDHVMEUKLFDO-RDPSFJRHSA-N 1 1 457.022 3.346 20 0 JGADMO COCCn1ccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757903 720893467 /nfs/dbraw/zinc/89/34/67/720893467.db2.gz WHRZWWAURURJCK-HOFKKMOUSA-N 1 1 476.625 3.228 20 0 JGADMO Clc1[n-][nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ncnc1-2 ZINC001164755111 720896660 /nfs/dbraw/zinc/89/66/60/720896660.db2.gz KVUZJRGCLSJSJO-FDDCHVKYSA-N 1 1 453.978 3.156 20 0 JGADMO CCN(CC)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164758458 720898586 /nfs/dbraw/zinc/89/85/86/720898586.db2.gz YEVLXJWSKXMZDP-ZEQKJWHPSA-N 1 1 450.631 3.473 20 0 JGADMO O=C(c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1)N1CCCC1 ZINC001164758854 720898631 /nfs/dbraw/zinc/89/86/31/720898631.db2.gz ZXDACSSTLYXRII-LEAFIULHSA-N 1 1 475.637 3.468 20 0 JGADMO O=C(c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1)N1CCCC1 ZINC001164758856 720898786 /nfs/dbraw/zinc/89/87/86/720898786.db2.gz ZXDACSSTLYXRII-NAKRPHOHSA-N 1 1 475.637 3.468 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C3)C[C@H](NC(=O)c3ccccc3)CCO4)c2)CC1 ZINC001164863697 720902388 /nfs/dbraw/zinc/90/23/88/720902388.db2.gz YRVJCAGULGTQIX-RLWLMLJZSA-N 1 1 450.583 3.113 20 0 JGADMO COc1cnc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752581 720903639 /nfs/dbraw/zinc/90/36/39/720903639.db2.gz FEDOJRZOQAEYMI-HFZDXXHNSA-N 1 1 460.582 3.184 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3CO[C@@H](CNC(=O)c4ccno4)[C@H]3C2)n1 ZINC001164853973 720911583 /nfs/dbraw/zinc/91/15/83/720911583.db2.gz DGLLRUVFRMDISQ-HBFSDRIKSA-N 1 1 498.653 3.409 20 0 JGADMO CCCNC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164751366 720911901 /nfs/dbraw/zinc/91/19/01/720911901.db2.gz LSROJXOKJLNILM-SHQCIBLASA-N 1 1 463.626 3.372 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4CO[C@@H](CNC(=O)N(C)C)[C@H]4C3)c2c1C ZINC001164756165 720996853 /nfs/dbraw/zinc/99/68/53/720996853.db2.gz FYCBWKSHWLHHBO-AABGKKOBSA-N 1 1 486.686 3.407 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c(-c4cnn(C)c4)nnn3C[C@@H]2COC)nc1 ZINC001164760359 721025471 /nfs/dbraw/zinc/02/54/71/721025471.db2.gz ONHTVDVUVOEYDO-RTWAWAEBSA-N 1 1 450.591 3.046 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)nc1 ZINC001164864414 721037016 /nfs/dbraw/zinc/03/70/16/721037016.db2.gz ZHFSHPPMLWBMDD-SQHAQQRYSA-N 1 1 476.625 3.258 20 0 JGADMO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC001164762808 721038435 /nfs/dbraw/zinc/03/84/35/721038435.db2.gz ISCOAJLRIDBONL-VQTJNVASSA-N 1 1 491.665 3.393 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164867976 721073592 /nfs/dbraw/zinc/07/35/92/721073592.db2.gz LOAMFIDFCFDLFB-IRXDYDNUSA-N 1 1 455.946 3.175 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)CC5)C[C@H]3C2)cn1 ZINC001164761092 721088746 /nfs/dbraw/zinc/08/87/46/721088746.db2.gz AXGYMSNWCGBRRZ-FGZHOGPDSA-N 1 1 478.044 3.380 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C[C@H]3C2)cn1 ZINC001164773772 721098284 /nfs/dbraw/zinc/09/82/84/721098284.db2.gz YEYQINMXYQXRBN-VXGBXAGGSA-N 1 1 453.765 3.072 20 0 JGADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164864917 721098387 /nfs/dbraw/zinc/09/83/87/721098387.db2.gz HJDKBMLFWOQGTB-XZOQPEGZSA-N 1 1 458.541 3.493 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866926 721121599 /nfs/dbraw/zinc/12/15/99/721121599.db2.gz VFOYCEVGTFAGGC-PMACEKPBSA-N 1 1 483.613 3.232 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2[nH]cnc21 ZINC001164881214 721134332 /nfs/dbraw/zinc/13/43/32/721134332.db2.gz ZZEYODZHLSHKLV-ZWKOTPCHSA-N 1 1 465.558 3.180 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164877574 721135357 /nfs/dbraw/zinc/13/53/57/721135357.db2.gz OQZOBKFOVHFARH-LADGPHEKSA-N 1 1 485.588 3.121 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164880405 721140046 /nfs/dbraw/zinc/14/00/46/721140046.db2.gz WDUWVHGLXBHQFA-RTBURBONSA-N 1 1 467.595 3.360 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164880400 721140430 /nfs/dbraw/zinc/14/04/30/721140430.db2.gz WDUWVHGLXBHQFA-OALUTQOASA-N 1 1 467.595 3.360 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164880382 721140763 /nfs/dbraw/zinc/14/07/63/721140763.db2.gz WDUWVHGLXBHQFA-MOPGFXCFSA-N 1 1 467.595 3.360 20 0 JGADMO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[N@H+]3C2)c1 ZINC001164869770 721161593 /nfs/dbraw/zinc/16/15/93/721161593.db2.gz BIEZVDMSTUVEAV-FCHUYYIVSA-N 1 1 459.550 3.180 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)NCCSCc4ccco4)C[C@H]3C2)cn1 ZINC001164764263 721163490 /nfs/dbraw/zinc/16/34/90/721163490.db2.gz HNVHIENNECVAKV-LEWJYISDSA-N 1 1 480.638 3.030 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164767534 721173961 /nfs/dbraw/zinc/17/39/61/721173961.db2.gz JZEWALRJPITIFY-OALUTQOASA-N 1 1 470.618 3.049 20 0 JGADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879527 721180414 /nfs/dbraw/zinc/18/04/14/721180414.db2.gz TWJBITIKCHOMRO-IRXDYDNUSA-N 1 1 467.904 3.247 20 0 JGADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869701 721189024 /nfs/dbraw/zinc/18/90/24/721189024.db2.gz RRIPAIXXUSLPNN-QZTJIDSGSA-N 1 1 467.904 3.247 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)COC(=O)Nc4cccnc4Cl)C[C@@H]3C2)cn1 ZINC001164766172 721237386 /nfs/dbraw/zinc/23/73/86/721237386.db2.gz SJLOAFDDZZLQLU-CVEARBPZSA-N 1 1 454.909 3.064 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C[C@H]3C2)cn1 ZINC001164761379 721243003 /nfs/dbraw/zinc/24/30/03/721243003.db2.gz HXGZTWTZEIQJPB-HZPDHXFCSA-N 1 1 454.909 3.064 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCCN(c4cnccn4)[C@H]3C2)n1 ZINC001164767781 721264228 /nfs/dbraw/zinc/26/42/28/721264228.db2.gz SRXKIOQLDVGTQY-ZWKOTPCHSA-N 1 1 453.616 3.034 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)cn1 ZINC001164764404 721264716 /nfs/dbraw/zinc/26/47/16/721264716.db2.gz GNAIANXWKXHITF-UXHICEINSA-N 1 1 491.665 3.440 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)C1 ZINC001164869828 721266230 /nfs/dbraw/zinc/26/62/30/721266230.db2.gz PCJZKTMKHRFPKA-UHFFFAOYSA-N 1 1 465.623 3.365 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC2)C1 ZINC001164869390 721268532 /nfs/dbraw/zinc/26/85/32/721268532.db2.gz NCZLRSVSXBHHSJ-UHFFFAOYSA-N 1 1 493.986 3.349 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(-c4ccc(F)cc4)c4ccccc43)CC2)C1 ZINC001164872118 721285456 /nfs/dbraw/zinc/28/54/56/721285456.db2.gz AIHUYFVJKRGIRE-UHFFFAOYSA-N 1 1 477.584 3.443 20 0 JGADMO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872812 721285748 /nfs/dbraw/zinc/28/57/48/721285748.db2.gz FYEXEFLUTQMLOJ-NRFANRHFSA-N 1 1 480.657 3.016 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164771298 721295499 /nfs/dbraw/zinc/29/54/99/721295499.db2.gz ZGJRUWUGGCOZRT-ZWKOTPCHSA-N 1 1 460.573 3.148 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)C2)cc1 ZINC001164881376 721312201 /nfs/dbraw/zinc/31/22/01/721312201.db2.gz VTSRMSSMNNEHOG-FTBPSBKWSA-N 1 1 457.578 3.493 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)C2)cc1 ZINC001164881376 721312206 /nfs/dbraw/zinc/31/22/06/721312206.db2.gz VTSRMSSMNNEHOG-FTBPSBKWSA-N 1 1 457.578 3.493 20 0 JGADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777329 721338489 /nfs/dbraw/zinc/33/84/89/721338489.db2.gz LZGZQJKULMVFOZ-VWLOTQADSA-N 1 1 465.554 3.140 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)nc1 ZINC001164881785 721338682 /nfs/dbraw/zinc/33/86/82/721338682.db2.gz AVKSRLOBHAOEOF-PPJWLVRDSA-N 1 1 456.631 3.110 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4OCC[C@]4(C(=O)NCC4CC4)C3)c2c1C ZINC001164884196 721344380 /nfs/dbraw/zinc/34/43/80/721344380.db2.gz NDTUTBMCSPVJIB-DFBJGRDBSA-N 1 1 469.655 3.416 20 0 JGADMO COc1cc2ncc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2cc1OC ZINC001164779747 721348785 /nfs/dbraw/zinc/34/87/85/721348785.db2.gz VKWJDUIETXOIHK-RUZDIDTESA-N 1 1 467.570 3.371 20 0 JGADMO COc1cc2ncc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2cc1OC ZINC001164779747 721348789 /nfs/dbraw/zinc/34/87/89/721348789.db2.gz VKWJDUIETXOIHK-RUZDIDTESA-N 1 1 467.570 3.371 20 0 JGADMO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cc1OCC ZINC001164779760 721349396 /nfs/dbraw/zinc/34/93/96/721349396.db2.gz VVFNJRIMULIFTG-VWLOTQADSA-N 1 1 472.586 3.381 20 0 JGADMO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cc1OCC ZINC001164779760 721349399 /nfs/dbraw/zinc/34/93/99/721349399.db2.gz VVFNJRIMULIFTG-VWLOTQADSA-N 1 1 472.586 3.381 20 0 JGADMO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164883840 721349453 /nfs/dbraw/zinc/34/94/53/721349453.db2.gz MLPLHXUDUHJVPC-JYFHCDHNSA-N 1 1 469.589 3.012 20 0 JGADMO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164883840 721349455 /nfs/dbraw/zinc/34/94/55/721349455.db2.gz MLPLHXUDUHJVPC-JYFHCDHNSA-N 1 1 469.589 3.012 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C(=O)OC(C)(C)C)n3)C2)C1 ZINC001164780312 721354641 /nfs/dbraw/zinc/35/46/41/721354641.db2.gz FZEHSNDZCKLZMF-XMMPIXPASA-N 1 1 457.575 3.156 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C(=O)OC(C)(C)C)n3)C2)C1 ZINC001164780312 721354645 /nfs/dbraw/zinc/35/46/45/721354645.db2.gz FZEHSNDZCKLZMF-XMMPIXPASA-N 1 1 457.575 3.156 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4)nc(N(C)C)n3)C2)C1 ZINC001164780263 721355860 /nfs/dbraw/zinc/35/58/60/721355860.db2.gz FGIBSXHDNATALG-AREMUKBSSA-N 1 1 477.613 3.328 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4)nc(N(C)C)n3)C2)C1 ZINC001164780263 721355866 /nfs/dbraw/zinc/35/58/66/721355866.db2.gz FGIBSXHDNATALG-AREMUKBSSA-N 1 1 477.613 3.328 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164881500 721356867 /nfs/dbraw/zinc/35/68/67/721356867.db2.gz CYSNUTFYMDOSCR-WTOYTKOKSA-N 1 1 497.665 3.326 20 0 JGADMO CCOC(=O)/C=C/c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780811 721357609 /nfs/dbraw/zinc/35/76/09/721357609.db2.gz HTJXWJLDPSHIJG-PMDNVAFQSA-N 1 1 454.571 3.382 20 0 JGADMO COC(=O)/C=C/c1cc(C)cnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780075 721362348 /nfs/dbraw/zinc/36/23/48/721362348.db2.gz CWTXZCSHIGQYDX-ZHBSTKLQSA-N 1 1 454.571 3.300 20 0 JGADMO O=C1CO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2N1c1cccc(F)c1 ZINC001164881870 721363599 /nfs/dbraw/zinc/36/35/99/721363599.db2.gz GOFGHZUWPJYVNS-LOSJGSFVSA-N 1 1 458.537 3.400 20 0 JGADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164780313 721364060 /nfs/dbraw/zinc/36/40/60/721364060.db2.gz FZWPMYJSDRRHRG-HSZRJFAPSA-N 1 1 488.976 3.122 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(N4CCC(C)CC4)nn3)C2)C1 ZINC001164781581 721366831 /nfs/dbraw/zinc/36/68/31/721366831.db2.gz KASJFEMXMTZKQE-RUZDIDTESA-N 1 1 454.619 3.437 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164894437 721393271 /nfs/dbraw/zinc/39/32/71/721393271.db2.gz XWBWJXDOBUBHBK-YIXXDRMTSA-N 1 1 498.071 3.430 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1Cl ZINC001164893597 721396388 /nfs/dbraw/zinc/39/63/88/721396388.db2.gz VURQBIZEOLIQJY-ZHRRBRCNSA-N 1 1 471.429 3.331 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C3)O2)CC1 ZINC001164887990 721396814 /nfs/dbraw/zinc/39/68/14/721396814.db2.gz IZMFMFAFSMKQTH-XCLFUZPHSA-N 1 1 486.835 3.145 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C3)O2)CC1 ZINC001164884453 721397018 /nfs/dbraw/zinc/39/70/18/721397018.db2.gz BBUCMWKOJGQGNT-CUNXSJBXSA-N 1 1 497.087 3.411 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C3)O2)CC1 ZINC001164891845 721398668 /nfs/dbraw/zinc/39/86/68/721398668.db2.gz QQDIUZQWDLALFF-LVXARBLLSA-N 1 1 496.059 3.293 20 0 JGADMO O=C(NCCSCc1ccco1)c1cccnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783589 721417136 /nfs/dbraw/zinc/41/71/36/721417136.db2.gz JAMMLUCPIZKFMS-HDICACEKSA-N 1 1 469.636 3.363 20 0 JGADMO O=C(NCCSCc1ccco1)c1cccnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783589 721417138 /nfs/dbraw/zinc/41/71/38/721417138.db2.gz JAMMLUCPIZKFMS-HDICACEKSA-N 1 1 469.636 3.363 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C3)O2)CC1 ZINC001164891973 721417835 /nfs/dbraw/zinc/41/78/35/721417835.db2.gz XLHIEIOVNRWGEH-DVECYGJZSA-N 1 1 464.054 3.029 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C3)O2)CC1 ZINC001164891975 721418211 /nfs/dbraw/zinc/41/82/11/721418211.db2.gz XLHIEIOVNRWGEH-YADARESESA-N 1 1 464.054 3.029 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164780829 721426741 /nfs/dbraw/zinc/42/67/41/721426741.db2.gz AIKLKGIKYJAGIX-HDICACEKSA-N 1 1 470.668 3.165 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164780829 721426742 /nfs/dbraw/zinc/42/67/42/721426742.db2.gz AIKLKGIKYJAGIX-HDICACEKSA-N 1 1 470.668 3.165 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164888662 721431046 /nfs/dbraw/zinc/43/10/46/721431046.db2.gz AAGVACKQTYRSIH-CLOONOSVSA-N 1 1 488.032 3.225 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)O2)CC1 ZINC001164898320 721436601 /nfs/dbraw/zinc/43/66/01/721436601.db2.gz VQOFZPKNOKWORI-UTKZUKDTSA-N 1 1 455.981 3.318 20 0 JGADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)o2)cc1 ZINC001164892992 721436913 /nfs/dbraw/zinc/43/69/13/721436913.db2.gz INJBQLBSJLKOJS-HFZDXXHNSA-N 1 1 462.598 3.359 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C(=O)OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164889564 721438841 /nfs/dbraw/zinc/43/88/41/721438841.db2.gz BSWAOJKKCFFVDM-IGKIAQTJSA-N 1 1 464.610 3.204 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C3)O2)CC1 ZINC001164892160 721440715 /nfs/dbraw/zinc/44/07/15/721440715.db2.gz HMHVGCHTZLINMX-CUNXSJBXSA-N 1 1 479.625 3.070 20 0 JGADMO Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164786313 721440982 /nfs/dbraw/zinc/44/09/82/721440982.db2.gz UQGVAOLAGOAGOH-AREMUKBSSA-N 1 1 481.604 3.484 20 0 JGADMO Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164786313 721440983 /nfs/dbraw/zinc/44/09/83/721440983.db2.gz UQGVAOLAGOAGOH-AREMUKBSSA-N 1 1 481.604 3.484 20 0 JGADMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccc(Cl)nc2)n1 ZINC001164898700 721444826 /nfs/dbraw/zinc/44/48/26/721444826.db2.gz WODPSCSCUDNSRH-YKSBVNFPSA-N 1 1 457.022 3.266 20 0 JGADMO COc1ccc(Cc2c(C)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2C)cc1 ZINC001164893723 721446791 /nfs/dbraw/zinc/44/67/91/721446791.db2.gz KDRLEORRQUYQHU-NAKRPHOHSA-N 1 1 479.669 3.458 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164790557 721450071 /nfs/dbraw/zinc/45/00/71/721450071.db2.gz ZEBHULYCXGRLDV-SFHVURJKSA-N 1 1 467.010 3.041 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C(=O)OC)CC2 ZINC001164784062 721450152 /nfs/dbraw/zinc/45/01/52/721450152.db2.gz DKIVTGNTVACLNJ-GOSISDBHSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(OC)c(OC)cc31)CC2 ZINC001164788681 721453896 /nfs/dbraw/zinc/45/38/96/721453896.db2.gz SNBUQDLBKWKQGU-HXUWFJFHSA-N 1 1 470.614 3.381 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164784998 721454890 /nfs/dbraw/zinc/45/48/90/721454890.db2.gz GAGAROPPIIDBQB-SFHVURJKSA-N 1 1 467.010 3.041 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@H]43)c2c1C ZINC001164884919 721458540 /nfs/dbraw/zinc/45/85/40/721458540.db2.gz CMVYNIKRKQTUPR-CEXWTWQISA-N 1 1 455.628 3.166 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3cc(OC)c(OC)cc3n1)CC2 ZINC001164787462 721458860 /nfs/dbraw/zinc/45/88/60/721458860.db2.gz QNUPQJAETANTDJ-HXUWFJFHSA-N 1 1 470.614 3.381 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)CC2 ZINC001164782826 721458902 /nfs/dbraw/zinc/45/89/02/721458902.db2.gz CSQJBVVAFMUCJW-LJQANCHMSA-N 1 1 486.613 3.092 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)CC2 ZINC001164783698 721460929 /nfs/dbraw/zinc/46/09/29/721460929.db2.gz FUGPRQHGHMCSOJ-FQEVSTJZSA-N 1 1 481.037 3.102 20 0 JGADMO CCOc1ccc(C(=O)OC)c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789848 721462091 /nfs/dbraw/zinc/46/20/91/721462091.db2.gz XRZUFEHKKZNZPD-FQEVSTJZSA-N 1 1 461.603 3.001 20 0 JGADMO CCOC(=O)/C=C\c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164782732 721462907 /nfs/dbraw/zinc/46/29/07/721462907.db2.gz BFYNOOSEZRUBDV-LSYMRDCYSA-N 1 1 457.615 3.392 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)CC2 ZINC001164790015 721464270 /nfs/dbraw/zinc/46/42/70/721464270.db2.gz YZNSQDJCQFJACB-HXUWFJFHSA-N 1 1 456.587 3.083 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)c(C(=O)OC)c1OC)CC2 ZINC001164782480 721464767 /nfs/dbraw/zinc/46/47/67/721464767.db2.gz ARSXICYNRADGML-GOSISDBHSA-N 1 1 482.021 3.264 20 0 JGADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)[nH]cc1-2 ZINC001164791646 721465104 /nfs/dbraw/zinc/46/51/04/721465104.db2.gz XEAJCQAHOOSMPW-HXUWFJFHSA-N 1 1 470.614 3.474 20 0 JGADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)[nH]cc1-2 ZINC001164791646 721465107 /nfs/dbraw/zinc/46/51/07/721465107.db2.gz XEAJCQAHOOSMPW-HXUWFJFHSA-N 1 1 470.614 3.474 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164788248 721467409 /nfs/dbraw/zinc/46/74/09/721467409.db2.gz IVDABAAOQDFHTF-INIZCTEOSA-N 1 1 484.979 3.237 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 ZINC001164789532 721467902 /nfs/dbraw/zinc/46/79/02/721467902.db2.gz NOZBKZXIRIMRQU-HXUWFJFHSA-N 1 1 465.038 3.171 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CC2 ZINC001164786329 721471610 /nfs/dbraw/zinc/47/16/10/721471610.db2.gz AUPGNGWTCKVNRH-GOSISDBHSA-N 1 1 488.023 3.475 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164791253 721473469 /nfs/dbraw/zinc/47/34/69/721473469.db2.gz VZVSTXWRPYRJEZ-HXUWFJFHSA-N 1 1 470.614 3.381 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164788783 721474037 /nfs/dbraw/zinc/47/40/37/721474037.db2.gz KQYAOQIVNUQLGB-KRWDZBQOSA-N 1 1 460.953 3.289 20 0 JGADMO Fc1cccnc1OC[C@@]12COC[C@@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164791062 721486210 /nfs/dbraw/zinc/48/62/10/721486210.db2.gz AKZKMRVGQXWOAU-RXFWQSSRSA-N 1 1 461.541 3.101 20 0 JGADMO Fc1cccnc1OC[C@@]12COC[C@@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164791062 721486212 /nfs/dbraw/zinc/48/62/12/721486212.db2.gz AKZKMRVGQXWOAU-RXFWQSSRSA-N 1 1 461.541 3.101 20 0 JGADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164796676 721497685 /nfs/dbraw/zinc/49/76/85/721497685.db2.gz VDNULFQNXMGVHW-UHFFFAOYSA-N 1 1 455.628 3.142 20 0 JGADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900730 721524685 /nfs/dbraw/zinc/52/46/85/721524685.db2.gz UIWGYYBYZHEOEH-TZIWHRDSSA-N 1 1 493.564 3.149 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164794816 721525769 /nfs/dbraw/zinc/52/57/69/721525769.db2.gz IEDGRXXFBGLUSR-HBFSDRIKSA-N 1 1 467.595 3.440 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164794816 721525771 /nfs/dbraw/zinc/52/57/71/721525771.db2.gz IEDGRXXFBGLUSR-HBFSDRIKSA-N 1 1 467.595 3.440 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c21 ZINC001164795346 721526330 /nfs/dbraw/zinc/52/63/30/721526330.db2.gz NGJAIFMYHNTUIS-HFMPRLQTSA-N 1 1 486.576 3.322 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c21 ZINC001164795346 721526331 /nfs/dbraw/zinc/52/63/31/721526331.db2.gz NGJAIFMYHNTUIS-HFMPRLQTSA-N 1 1 486.576 3.322 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164904011 721533347 /nfs/dbraw/zinc/53/33/47/721533347.db2.gz FDPVJKXLCTUVKT-ACIOBRDBSA-N 1 1 494.615 3.462 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906872 721539173 /nfs/dbraw/zinc/53/91/73/721539173.db2.gz LQJRUKKTOMKRNI-DZGCQCFKSA-N 1 1 455.317 3.441 20 0 JGADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@H+]3C2)c1 ZINC001164911428 721541262 /nfs/dbraw/zinc/54/12/62/721541262.db2.gz WRWDKRCVVRBTEK-GMAHTHKFSA-N 1 1 475.572 3.405 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@H+]3C2)c1 ZINC001164911415 721541795 /nfs/dbraw/zinc/54/17/95/721541795.db2.gz WRWDKRCVVRBTEK-FYYLOGMGSA-N 1 1 475.572 3.405 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906923 721546569 /nfs/dbraw/zinc/54/65/69/721546569.db2.gz LVPKSZVRLJDABC-HKUYNNGSSA-N 1 1 470.545 3.334 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164805248 721551250 /nfs/dbraw/zinc/55/12/50/721551250.db2.gz LJZHOJZERBHIEJ-CEXWTWQISA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164805248 721551251 /nfs/dbraw/zinc/55/12/51/721551251.db2.gz LJZHOJZERBHIEJ-CEXWTWQISA-N 1 1 466.916 3.330 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805620 721553568 /nfs/dbraw/zinc/55/35/68/721553568.db2.gz OAQJPJZXRSVIRW-BQFCYCMXSA-N 1 1 478.018 3.292 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805620 721553574 /nfs/dbraw/zinc/55/35/74/721553574.db2.gz OAQJPJZXRSVIRW-BQFCYCMXSA-N 1 1 478.018 3.292 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907174 721556198 /nfs/dbraw/zinc/55/61/98/721556198.db2.gz MJKNWPLWAMZQPD-TZIWHRDSSA-N 1 1 462.591 3.030 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC[N@H+]3C2)c1 ZINC001164911902 721560030 /nfs/dbraw/zinc/56/00/30/721560030.db2.gz ZZGVWGOIICYNHC-UKILVPOCSA-N 1 1 474.584 3.284 20 0 JGADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164909159 721561947 /nfs/dbraw/zinc/56/19/47/721561947.db2.gz SCWSFAZWFJDXMM-ZCYQVOJMSA-N 1 1 475.568 3.461 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2s1 ZINC001164798534 721567181 /nfs/dbraw/zinc/56/71/81/721567181.db2.gz BEXIWMRWGZBPKB-HBFSDRIKSA-N 1 1 453.568 3.131 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2s1 ZINC001164798534 721567182 /nfs/dbraw/zinc/56/71/82/721567182.db2.gz BEXIWMRWGZBPKB-HBFSDRIKSA-N 1 1 453.568 3.131 20 0 JGADMO COC(=O)C[C@H](c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1)C1CC1 ZINC001164807297 721574306 /nfs/dbraw/zinc/57/43/06/721574306.db2.gz SOBCNJPEGVTGFZ-DUOVIKOCSA-N 1 1 450.583 3.402 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164798224 721577026 /nfs/dbraw/zinc/57/70/26/721577026.db2.gz BAEHAGQKEXMHNI-BJLQDIEVSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164798224 721577030 /nfs/dbraw/zinc/57/70/30/721577030.db2.gz BAEHAGQKEXMHNI-BJLQDIEVSA-N 1 1 466.916 3.330 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)[C@H]2CCCO[C@@H]12 ZINC001164806819 721579600 /nfs/dbraw/zinc/57/96/00/721579600.db2.gz NAQBTBMEAJGRAT-VVZHRXSXSA-N 1 1 459.550 3.178 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)[C@H]2CCCO[C@@H]12 ZINC001164806819 721579601 /nfs/dbraw/zinc/57/96/01/721579601.db2.gz NAQBTBMEAJGRAT-VVZHRXSXSA-N 1 1 459.550 3.178 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@](F)(COc2cncc(Cl)n2)C(F)F)[C@H]2CCCO[C@@H]12 ZINC001164811854 721583127 /nfs/dbraw/zinc/58/31/27/721583127.db2.gz YMDLWGVMJLVXQX-VXIWKAIFSA-N 1 1 471.911 3.199 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@](F)(COc2cncc(Cl)n2)C(F)F)[C@H]2CCCO[C@@H]12 ZINC001164811854 721583129 /nfs/dbraw/zinc/58/31/29/721583129.db2.gz YMDLWGVMJLVXQX-VXIWKAIFSA-N 1 1 471.911 3.199 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164801879 721585397 /nfs/dbraw/zinc/58/53/97/721585397.db2.gz GCAFJULQBPASRD-OARDWFSCSA-N 1 1 485.636 3.066 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164810920 721586714 /nfs/dbraw/zinc/58/67/14/721586714.db2.gz WRSGQKZUSUKHDY-GTNKKZTPSA-N 1 1 486.620 3.243 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164810920 721586717 /nfs/dbraw/zinc/58/67/17/721586717.db2.gz WRSGQKZUSUKHDY-GTNKKZTPSA-N 1 1 486.620 3.243 20 0 JGADMO CN(C)c1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(Cl)n1 ZINC001164801855 721588821 /nfs/dbraw/zinc/58/88/21/721588821.db2.gz FZCVSEAPTNPUGV-BXWFABGCSA-N 1 1 452.937 3.004 20 0 JGADMO CN(C)c1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(Cl)n1 ZINC001164801855 721588822 /nfs/dbraw/zinc/58/88/22/721588822.db2.gz FZCVSEAPTNPUGV-BXWFABGCSA-N 1 1 452.937 3.004 20 0 JGADMO O=C1CO[C@@]2(CN1c1ccsc1)COCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164801725 721593819 /nfs/dbraw/zinc/59/38/19/721593819.db2.gz SHDSNVWUTPVBPV-MHZLTWQESA-N 1 1 490.629 3.340 20 0 JGADMO CC(C)C(=O)N1CCC[C@]12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001165009807 721725949 /nfs/dbraw/zinc/72/59/49/721725949.db2.gz ZODJLHNTHLLUQM-CCLHPLFOSA-N 1 1 485.673 3.108 20 0 JGADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CC1 ZINC001165009641 721747048 /nfs/dbraw/zinc/74/70/48/721747048.db2.gz HGLNBCFHFDCTAC-UHFFFAOYSA-N 1 1 464.948 3.260 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cnn(C)c3)[C@@H]3OCCC[C@H]32)n1 ZINC001165013835 721757633 /nfs/dbraw/zinc/75/76/33/721757633.db2.gz SYWQMPLZTJNPAX-JQVVWYNYSA-N 1 1 497.669 3.050 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@@H]32)n1 ZINC001165013832 721757711 /nfs/dbraw/zinc/75/77/11/721757711.db2.gz SYWQMPLZTJNPAX-CNNODRBYSA-N 1 1 497.669 3.050 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)C2 ZINC001164910810 721761030 /nfs/dbraw/zinc/76/10/30/721761030.db2.gz LHMYITJANNFHGF-UHFFFAOYSA-N 1 1 467.595 3.049 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)C2 ZINC001164910810 721761032 /nfs/dbraw/zinc/76/10/32/721761032.db2.gz LHMYITJANNFHGF-UHFFFAOYSA-N 1 1 467.595 3.049 20 0 JGADMO c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001165024702 721780341 /nfs/dbraw/zinc/78/03/41/721780341.db2.gz YRYBBVNZDSOKAB-NXCFDTQHSA-N 1 1 474.609 3.075 20 0 JGADMO c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001165024702 721780344 /nfs/dbraw/zinc/78/03/44/721780344.db2.gz YRYBBVNZDSOKAB-NXCFDTQHSA-N 1 1 474.609 3.075 20 0 JGADMO Clc1cc2c(Cl)ccnc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914536 721781974 /nfs/dbraw/zinc/78/19/74/721781974.db2.gz DVVFCQIPMHWGMD-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cc2c(Cl)ccnc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914536 721781976 /nfs/dbraw/zinc/78/19/76/721781976.db2.gz DVVFCQIPMHWGMD-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC001164914829 721784732 /nfs/dbraw/zinc/78/47/32/721784732.db2.gz FZQWDDYMIFDYHR-MHZLTWQESA-N 1 1 488.567 3.122 20 0 JGADMO Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC001164914827 721784827 /nfs/dbraw/zinc/78/48/27/721784827.db2.gz FZQWDDYMIFDYHR-HHHXNRCGSA-N 1 1 488.567 3.122 20 0 JGADMO Clc1ccc2[nH]c3ncnc(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c3c2c1 ZINC001164915138 721792695 /nfs/dbraw/zinc/79/26/95/721792695.db2.gz IMVXWBLUVUNGSS-DEOSSOPVSA-N 1 1 464.957 3.267 20 0 JGADMO Clc1ccc2[nH]c3ncnc(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c3c2c1 ZINC001164915138 721792699 /nfs/dbraw/zinc/79/26/99/721792699.db2.gz IMVXWBLUVUNGSS-DEOSSOPVSA-N 1 1 464.957 3.267 20 0 JGADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164914332 721799651 /nfs/dbraw/zinc/79/96/51/721799651.db2.gz LXIBEEOEOCHHDM-AZGAKELHSA-N 1 1 451.615 3.131 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164914331 721799795 /nfs/dbraw/zinc/79/97/95/721799795.db2.gz LXIBEEOEOCHHDM-AOYPEHQESA-N 1 1 451.615 3.131 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@H]21 ZINC001165021482 721822999 /nfs/dbraw/zinc/82/29/99/721822999.db2.gz FUFXNEWKZDYECF-YMPZKCBVSA-N 1 1 462.646 3.204 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@@H]21 ZINC001165018856 721825506 /nfs/dbraw/zinc/82/55/06/721825506.db2.gz AKRWKEMWZWDERB-BAGYTPMASA-N 1 1 462.598 3.044 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCCC3)C[C@H]21 ZINC001165029576 721827261 /nfs/dbraw/zinc/82/72/61/721827261.db2.gz XFQPYWPUZKMGQC-MDNUFGMLSA-N 1 1 469.655 3.388 20 0 JGADMO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)CCO3)C2)cs1 ZINC001164924553 721828998 /nfs/dbraw/zinc/82/89/98/721828998.db2.gz WYEVKBFRFMUXBU-SANMLTNESA-N 1 1 490.633 3.352 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)C2)cc1 ZINC001164925714 721838774 /nfs/dbraw/zinc/83/87/74/721838774.db2.gz POHBXEKFVXOZKD-CUNXSJBXSA-N 1 1 457.578 3.100 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)C2)cc1 ZINC001164925714 721838775 /nfs/dbraw/zinc/83/87/75/721838775.db2.gz POHBXEKFVXOZKD-CUNXSJBXSA-N 1 1 457.578 3.100 20 0 JGADMO Cn1ccc(CN2CCOCC23CCN(c2[nH+]cnc4c2ccn4Cc2cccc(F)c2)CC3)n1 ZINC001164936142 721905984 /nfs/dbraw/zinc/90/59/84/721905984.db2.gz KOAFMPLFVZSKDJ-UHFFFAOYSA-N 1 1 475.572 3.224 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccc4S(=O)(=O)N4CCCC4)CC3)C2)cc1 ZINC001164940232 721928637 /nfs/dbraw/zinc/92/86/37/721928637.db2.gz SRMDURNOIRGLEX-UHFFFAOYSA-N 1 1 470.639 3.046 20 0 JGADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164942601 721933523 /nfs/dbraw/zinc/93/35/23/721933523.db2.gz MGFAQFLQHDSLLD-UHFFFAOYSA-N 1 1 458.006 3.450 20 0 JGADMO COc1cccc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c21 ZINC001164947542 721974965 /nfs/dbraw/zinc/97/49/65/721974965.db2.gz PLTFZOKCDXXPGS-UHFFFAOYSA-N 1 1 451.958 3.263 20 0 JGADMO COc1cccc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c21 ZINC001164947542 721974967 /nfs/dbraw/zinc/97/49/67/721974967.db2.gz PLTFZOKCDXXPGS-UHFFFAOYSA-N 1 1 451.958 3.263 20 0 JGADMO CS(=O)(=O)N1C[C@@H]2CCCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)[C@@H]2C1 ZINC001164946878 721985201 /nfs/dbraw/zinc/98/52/01/721985201.db2.gz BCINKUOMHPPNKH-FUHWJXTLSA-N 1 1 475.684 3.026 20 0 JGADMO CS(=O)(=O)N1C[C@@H]2CCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)[C@@H]2C1 ZINC001164949810 721985264 /nfs/dbraw/zinc/98/52/64/721985264.db2.gz QIROPGZQBLUNTI-PKOBYXMFSA-N 1 1 489.711 3.416 20 0 JGADMO Cc1nc(Cn2c(=O)ccc3c2CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)CC3)cs1 ZINC001164951828 722007394 /nfs/dbraw/zinc/00/73/94/722007394.db2.gz JLRSVSRBJNCLSG-UHFFFAOYSA-N 1 1 465.623 3.135 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954122 722014523 /nfs/dbraw/zinc/01/45/23/722014523.db2.gz INUSZGHWWNOIFK-UHFFFAOYSA-N 1 1 478.975 3.399 20 0 JGADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056322 722015339 /nfs/dbraw/zinc/01/53/39/722015339.db2.gz SRZFDJZKLWWCLY-PKNBQFBNSA-N 1 1 451.571 3.012 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)nc1 ZINC001164957519 722032166 /nfs/dbraw/zinc/03/21/66/722032166.db2.gz MQJVDJCMOZELJU-OLKYXYMISA-N 1 1 466.630 3.023 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@@H]4COC[C@H]43)c2c1C ZINC001164960070 722037395 /nfs/dbraw/zinc/03/73/95/722037395.db2.gz IVGWBYRJVLMBDU-IRFCIJBXSA-N 1 1 494.665 3.266 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1OCC ZINC001164963105 722055773 /nfs/dbraw/zinc/05/57/73/722055773.db2.gz HGFDUILPEUUOQL-UHFFFAOYSA-N 1 1 454.571 3.171 20 0 JGADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962424 722056241 /nfs/dbraw/zinc/05/62/41/722056241.db2.gz DMUXNZLAGLDZRL-UHFFFAOYSA-N 1 1 451.571 3.045 20 0 JGADMO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964322 722057222 /nfs/dbraw/zinc/05/72/22/722057222.db2.gz UXUNYUSRYGZFPN-UHFFFAOYSA-N 1 1 459.598 3.119 20 0 JGADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959971 722060198 /nfs/dbraw/zinc/06/01/98/722060198.db2.gz BBODJRZVGKPFSR-QFIPXVFZSA-N 1 1 485.938 3.449 20 0 JGADMO c1ccc(N2CCN(c3cc(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)ncn3)CC2)cc1 ZINC001164961623 722060855 /nfs/dbraw/zinc/06/08/55/722060855.db2.gz MZYGNYQDEVACOL-UHFFFAOYSA-N 1 1 499.663 3.317 20 0 JGADMO Clc1nnc(Cl)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1N1CCOCC1 ZINC001164966497 722062452 /nfs/dbraw/zinc/06/24/52/722062452.db2.gz UZZXRTQYMDLDHA-UHFFFAOYSA-N 1 1 493.439 3.134 20 0 JGADMO c1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164966952 722075272 /nfs/dbraw/zinc/07/52/72/722075272.db2.gz HKCMHUYYZSUOIB-SZPZYZBQSA-N 1 1 491.661 3.490 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(C(=O)C(C)C)C[C@]4(CCCC(=O)N4)C3)c2c1C ZINC001164971548 722088569 /nfs/dbraw/zinc/08/85/69/722088569.db2.gz JRDXVFFTYPDTSM-SANMLTNESA-N 1 1 498.697 3.247 20 0 JGADMO c1ccc(CN2CCc3c(ncnc3N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970868 722112330 /nfs/dbraw/zinc/11/23/30/722112330.db2.gz AFMHEMQHVIOLKR-IGKIAQTJSA-N 1 1 470.621 3.157 20 0 JGADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2N1C1CCCC1 ZINC001164973327 722117360 /nfs/dbraw/zinc/11/73/60/722117360.db2.gz HAIWXTVXSGHCOL-HUVFLSCGSA-N 1 1 491.640 3.079 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978397 722119027 /nfs/dbraw/zinc/11/90/27/722119027.db2.gz ONIZIOFMVHXTIR-WIYYLYMNSA-N 1 1 467.957 3.192 20 0 JGADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979774 722119256 /nfs/dbraw/zinc/11/92/56/722119256.db2.gz PVOMIGYYVKBVKO-RBBKRZOGSA-N 1 1 478.597 3.100 20 0 JGADMO COc1cc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164980491 722120989 /nfs/dbraw/zinc/12/09/89/722120989.db2.gz RIVKTACOWVBEAT-HTAPYJJXSA-N 1 1 469.973 3.423 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974395 722132470 /nfs/dbraw/zinc/13/24/70/722132470.db2.gz DQJRLEVLJUHMLU-DHLKQENFSA-N 1 1 474.609 3.138 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974398 722132561 /nfs/dbraw/zinc/13/25/61/722132561.db2.gz DQJRLEVLJUHMLU-WIOPSUGQSA-N 1 1 474.609 3.138 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974376 722133322 /nfs/dbraw/zinc/13/33/22/722133322.db2.gz DKQLYIHFHJBONO-OFNKIYASSA-N 1 1 497.640 3.480 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2[nH]cnc21 ZINC001164978046 722137644 /nfs/dbraw/zinc/13/76/44/722137644.db2.gz JIKWZGMPMILFLL-UYAOXDASSA-N 1 1 479.585 3.427 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2[nH]cnc21 ZINC001164978040 722137912 /nfs/dbraw/zinc/13/79/12/722137912.db2.gz JIKWZGMPMILFLL-AZUAARDMSA-N 1 1 479.585 3.427 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973412 722139561 /nfs/dbraw/zinc/13/95/61/722139561.db2.gz CBXUEPIPYIACQE-VQIMIIECSA-N 1 1 466.916 3.189 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@H]3C2)c1 ZINC001164981555 722150839 /nfs/dbraw/zinc/15/08/39/722150839.db2.gz PJKWPACELFIBJJ-IGKIAQTJSA-N 1 1 486.620 3.103 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971293 722158989 /nfs/dbraw/zinc/15/89/89/722158989.db2.gz BOXVVNDBWRHWCU-JKSUJKDBSA-N 1 1 480.972 3.493 20 0 JGADMO CN1c2ccccc2[C@@]2(CCN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@@H](CO)C3)C2)C1=O ZINC001164977628 722162535 /nfs/dbraw/zinc/16/25/35/722162535.db2.gz GJBFGJRJUCRMCK-GDJIYFAZSA-N 1 1 491.636 3.005 20 0 JGADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(N4CCCC4)nc(N4CCCC4)n2)C3)c1 ZINC001164997212 722207884 /nfs/dbraw/zinc/20/78/84/722207884.db2.gz XDWQTXHJKPPOTM-RUZDIDTESA-N 1 1 451.594 3.456 20 0 JGADMO O=C1C[C@@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000381 722219646 /nfs/dbraw/zinc/21/96/46/722219646.db2.gz WVOHJKYJXNMJBW-MUUNZHRXSA-N 1 1 483.572 3.397 20 0 JGADMO O=C1C[C@@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000381 722219649 /nfs/dbraw/zinc/21/96/49/722219649.db2.gz WVOHJKYJXNMJBW-MUUNZHRXSA-N 1 1 483.572 3.397 20 0 JGADMO O=C1C[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000383 722219836 /nfs/dbraw/zinc/21/98/36/722219836.db2.gz WVOHJKYJXNMJBW-NDEPHWFRSA-N 1 1 483.572 3.397 20 0 JGADMO O=C1C[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000383 722219840 /nfs/dbraw/zinc/21/98/40/722219840.db2.gz WVOHJKYJXNMJBW-NDEPHWFRSA-N 1 1 483.572 3.397 20 0 JGADMO CC(C)N(c1ncccc1CN1CCCC1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001165000748 722220662 /nfs/dbraw/zinc/22/06/62/722220662.db2.gz YIMNOFQDNHOLIR-UHFFFAOYSA-N 1 1 462.642 3.447 20 0 JGADMO CCN(CC)c1ccnc([C@@H]2COCCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164998731 722226415 /nfs/dbraw/zinc/22/64/15/722226415.db2.gz DZZCHZVYPCFPFJ-QHCPKHFHSA-N 1 1 459.598 3.249 20 0 JGADMO CCN(CC)c1ccnc([C@@H]2COCCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164998731 722226418 /nfs/dbraw/zinc/22/64/18/722226418.db2.gz DZZCHZVYPCFPFJ-QHCPKHFHSA-N 1 1 459.598 3.249 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nc4ccsc4c(Cl)n2)CC3)CC1 ZINC001164996032 722231467 /nfs/dbraw/zinc/23/14/67/722231467.db2.gz AYALCGHPWBFPRW-UHFFFAOYSA-N 1 1 465.961 3.037 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccccc4)nc4ccccc42)CC3)CC1 ZINC001164997025 722232099 /nfs/dbraw/zinc/23/20/99/722232099.db2.gz MDGUZLKJCVQOKM-UHFFFAOYSA-N 1 1 451.578 3.444 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(-c4ccccc4)nnc2Cl)CC3)CC1 ZINC001165002273 722237568 /nfs/dbraw/zinc/23/75/68/722237568.db2.gz SLIIGUPOHRQBBR-UHFFFAOYSA-N 1 1 485.970 3.489 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN([C@@H](F)Oc2cccc(-c4ccc(Cl)nn4)c2)CC3)CC1 ZINC001165002224 722238516 /nfs/dbraw/zinc/23/85/16/722238516.db2.gz RGGMXHVIGZJZQT-XMMPIXPASA-N 1 1 483.979 3.072 20 0 JGADMO COc1cc2c(cc1F)cc(Cl)nc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165003080 722240822 /nfs/dbraw/zinc/24/08/22/722240822.db2.gz HUBRFFOKZTWFNH-UHFFFAOYSA-N 1 1 456.953 3.183 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165003131 722241965 /nfs/dbraw/zinc/24/19/65/722241965.db2.gz IIEUEXJZVSCYQB-REWPJTCUSA-N 1 1 474.613 3.072 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305794457 1069312177 /nfs/dbraw/zinc/31/21/77/1069312177.db2.gz KMEXHQLQBKHISQ-FCHUYYIVSA-N 1 1 454.619 3.259 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305795542 1069314747 /nfs/dbraw/zinc/31/47/47/1069314747.db2.gz QBOBXUUHRDTVOG-NNWRFLSQSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305797320 1069318488 /nfs/dbraw/zinc/31/84/88/1069318488.db2.gz AUDIYPFZTLLWIR-PWRODBHTSA-N 1 1 460.667 3.037 20 0 JGADMO CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)Oc1ccccc1F ZINC001305809053 1069338834 /nfs/dbraw/zinc/33/88/34/1069338834.db2.gz XQSYTNCGTAKTHQ-PZJWPPBQSA-N 1 1 472.609 3.141 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001305816736 1069350900 /nfs/dbraw/zinc/35/09/00/1069350900.db2.gz VGSQNPCQMLKBNU-HKUYNNGSSA-N 1 1 464.010 3.191 20 0 JGADMO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)OC ZINC001305817143 1069351258 /nfs/dbraw/zinc/35/12/58/1069351258.db2.gz XACQHXWNCQAKLX-RXVVDRJESA-N 1 1 475.659 3.084 20 0 JGADMO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC(N)=O)[N@H+]1CCc2ccccc2C1 ZINC001305826760 1069366195 /nfs/dbraw/zinc/36/61/95/1069366195.db2.gz KKBNSKBAABFAEW-UGKGYDQZSA-N 1 1 461.614 3.186 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305834663 1069376078 /nfs/dbraw/zinc/37/60/78/1069376078.db2.gz PZKDBMXUKIEKOY-RNHFSVANSA-N 1 1 492.665 3.124 20 0 JGADMO CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)OC ZINC001305841073 1069388939 /nfs/dbraw/zinc/38/89/39/1069388939.db2.gz HHAUOFIOZRQSFL-HSZRJFAPSA-N 1 1 464.614 3.328 20 0 JGADMO CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)CCC(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001305844865 1069394566 /nfs/dbraw/zinc/39/45/66/1069394566.db2.gz RMZJZMWSNPZUMM-QFIPXVFZSA-N 1 1 466.655 3.340 20 0 JGADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305842297 1069391473 /nfs/dbraw/zinc/39/14/73/1069391473.db2.gz OSLCCVXSLYCXGU-QKNQBKEWSA-N 1 1 471.650 3.486 20 0 JGADMO CC[C@@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305846006 1069395876 /nfs/dbraw/zinc/39/58/76/1069395876.db2.gz PPWATMIJGZIRDW-RTWAWAEBSA-N 1 1 478.037 3.197 20 0 JGADMO CC[C@@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305846006 1069395888 /nfs/dbraw/zinc/39/58/88/1069395888.db2.gz PPWATMIJGZIRDW-RTWAWAEBSA-N 1 1 478.037 3.197 20 0 JGADMO CCC(O)(CC)Cn1c(N2CC[NH+](Cc3cccs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305856370 1069410477 /nfs/dbraw/zinc/41/04/77/1069410477.db2.gz BURKLBXSAFWOQD-XMMPIXPASA-N 1 1 477.675 3.254 20 0 JGADMO CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)O1 ZINC001305861580 1069417964 /nfs/dbraw/zinc/41/79/64/1069417964.db2.gz VMZRGBVTXZEMOT-OFVILXPXSA-N 1 1 456.635 3.482 20 0 JGADMO CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cc[nH+]c2C)C1 ZINC001305867629 1069423359 /nfs/dbraw/zinc/42/33/59/1069423359.db2.gz OWIIRSDBBPKLCU-QHCPKHFHSA-N 1 1 471.631 3.027 20 0 JGADMO CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC[NH+]2CCOCC2)C1 ZINC001305868768 1069423958 /nfs/dbraw/zinc/42/39/58/1069423958.db2.gz ULWHVFYYXMHPHO-VWLOTQADSA-N 1 1 473.618 3.320 20 0 JGADMO CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC[NH+]2CCOCC2)C1 ZINC001305868767 1069423984 /nfs/dbraw/zinc/42/39/84/1069423984.db2.gz ULWHVFYYXMHPHO-RUZDIDTESA-N 1 1 473.618 3.320 20 0 JGADMO CC[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001305871243 1069425668 /nfs/dbraw/zinc/42/56/68/1069425668.db2.gz WDEZNRNKFBMQDY-DEOSSOPVSA-N 1 1 475.037 3.398 20 0 JGADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001305871307 1069425688 /nfs/dbraw/zinc/42/56/88/1069425688.db2.gz WQQPUJDXCZRIBB-KBMIEXCESA-N 1 1 457.619 3.436 20 0 JGADMO CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001305871309 1069425714 /nfs/dbraw/zinc/42/57/14/1069425714.db2.gz WQQPUJDXCZRIBB-UQBPGWFLSA-N 1 1 457.619 3.436 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+](C)CCOC)CCO1 ZINC001305883068 1069436233 /nfs/dbraw/zinc/43/62/33/1069436233.db2.gz SDPLWQWDTFTLSX-JOCHJYFZSA-N 1 1 451.999 3.191 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305883150 1069436909 /nfs/dbraw/zinc/43/69/09/1069436909.db2.gz FBVTYBOYJZUYAU-JOCHJYFZSA-N 1 1 495.466 3.162 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001305886452 1069441896 /nfs/dbraw/zinc/44/18/96/1069441896.db2.gz QXDHGAZRBZYEOA-QFIPXVFZSA-N 1 1 495.466 3.162 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001305886452 1069441900 /nfs/dbraw/zinc/44/19/00/1069441900.db2.gz QXDHGAZRBZYEOA-QFIPXVFZSA-N 1 1 495.466 3.162 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001305886169 1069442543 /nfs/dbraw/zinc/44/25/43/1069442543.db2.gz IUKWVXHHCPKSQZ-DHLKQENFSA-N 1 1 457.619 3.316 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001305894282 1069452332 /nfs/dbraw/zinc/45/23/32/1069452332.db2.gz WWERBEDYRJXJDI-FQEVSTJZSA-N 1 1 488.702 3.353 20 0 JGADMO CCc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC001305916264 1069470926 /nfs/dbraw/zinc/47/09/26/1069470926.db2.gz DCDMUETTXXSVKA-LBVMUVSTSA-N 1 1 491.702 3.295 20 0 JGADMO CCc1ccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305917427 1069471982 /nfs/dbraw/zinc/47/19/82/1069471982.db2.gz OPILVKFUURGPDM-UNMCSNQZSA-N 1 1 470.643 3.152 20 0 JGADMO CCc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305918837 1069474261 /nfs/dbraw/zinc/47/42/61/1069474261.db2.gz NZFLFSAOEPXGIY-NHCUHLMSSA-N 1 1 461.676 3.355 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001298219083 1064132611 /nfs/dbraw/zinc/13/26/11/1064132611.db2.gz WJQKCLNIUGCLQY-OAQYLSRUSA-N 1 1 468.646 3.317 20 0 JGADMO CN(CC(C)(C)C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001298229806 1064138713 /nfs/dbraw/zinc/13/87/13/1064138713.db2.gz IFOGIIOGJLOHIH-OAQYLSRUSA-N 1 1 455.651 3.262 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CCCC(F)(F)F ZINC001298234937 1064140699 /nfs/dbraw/zinc/14/06/99/1064140699.db2.gz BRDFBRYSMCMMDF-UHFFFAOYSA-N 1 1 483.539 3.063 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CCCN1CCCCC1=O ZINC001298235757 1064141466 /nfs/dbraw/zinc/14/14/66/1064141466.db2.gz KJSJNTKUEBGPHU-UHFFFAOYSA-N 1 1 468.646 3.142 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C/C=C\c1ccccc1 ZINC001298236128 1064141994 /nfs/dbraw/zinc/14/19/94/1064141994.db2.gz NWGMVPGCNHFZDU-XFXZXTDPSA-N 1 1 466.630 3.022 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CCCn1ccnn1 ZINC001298236186 1064142153 /nfs/dbraw/zinc/14/21/53/1064142153.db2.gz PGOLXRDMLRSFEO-UHFFFAOYSA-N 1 1 473.025 3.075 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1ccsc1 ZINC001298238872 1064142786 /nfs/dbraw/zinc/14/27/86/1064142786.db2.gz BKLKMOYSSXQFOD-VWLOTQADSA-N 1 1 484.670 3.028 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001298239808 1064144597 /nfs/dbraw/zinc/14/45/97/1064144597.db2.gz KUHFYMSAPVPMKN-HFZDXXHNSA-N 1 1 477.694 3.390 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCS1 ZINC001298240286 1064145346 /nfs/dbraw/zinc/14/53/46/1064145346.db2.gz PWJHHVVNOAAZLV-DEOSSOPVSA-N 1 1 458.676 3.344 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CCc2ccccc2)n1C[C@H]1CC(F)(F)CO1 ZINC001298240742 1064146050 /nfs/dbraw/zinc/14/60/50/1064146050.db2.gz VJPLJQZBKDIKKB-OAQYLSRUSA-N 1 1 477.600 3.282 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1Cc1ccncc1Cl ZINC001298240510 1064146175 /nfs/dbraw/zinc/14/61/75/1064146175.db2.gz RXUNGIJQRJFPCQ-HXUWFJFHSA-N 1 1 463.026 3.411 20 0 JGADMO CN(Cc1cc(Cl)ccn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001298261969 1064157368 /nfs/dbraw/zinc/15/73/68/1064157368.db2.gz IVBZUKFUKFQWJU-NQIIRXRSSA-N 1 1 489.045 3.168 20 0 JGADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CCC1 ZINC001298267749 1064160090 /nfs/dbraw/zinc/16/00/90/1064160090.db2.gz MLVPUINCHBZGLR-QHCPKHFHSA-N 1 1 451.615 3.188 20 0 JGADMO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CCC1 ZINC001298267749 1064160095 /nfs/dbraw/zinc/16/00/95/1064160095.db2.gz MLVPUINCHBZGLR-QHCPKHFHSA-N 1 1 451.615 3.188 20 0 JGADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CCC1 ZINC001298267749 1064160103 /nfs/dbraw/zinc/16/01/03/1064160103.db2.gz MLVPUINCHBZGLR-QHCPKHFHSA-N 1 1 451.615 3.188 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298282755 1064169942 /nfs/dbraw/zinc/16/99/42/1064169942.db2.gz XHPTYANSRRQLEW-HNNXBMFYSA-N 1 1 463.380 3.112 20 0 JGADMO CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001298288263 1064174421 /nfs/dbraw/zinc/17/44/21/1064174421.db2.gz IXPDFRUTIGQWMT-FIKGOQFSSA-N 1 1 453.986 3.130 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@H]2CCOC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001298316326 1064191099 /nfs/dbraw/zinc/19/10/99/1064191099.db2.gz AAFKZALYLYNEBF-NRFANRHFSA-N 1 1 489.686 3.477 20 0 JGADMO Cc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001298318147 1064194040 /nfs/dbraw/zinc/19/40/40/1064194040.db2.gz MFEUGXZQEYBNNO-LJQANCHMSA-N 1 1 455.624 3.420 20 0 JGADMO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298321598 1064197416 /nfs/dbraw/zinc/19/74/16/1064197416.db2.gz VXEFEJDDMMXBTQ-MQFAKOPTSA-N 1 1 459.660 3.278 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)c1ccc(Br)cc1 ZINC001298333172 1064206947 /nfs/dbraw/zinc/20/69/47/1064206947.db2.gz SJMKMBISYFONRW-YESZJQIVSA-N 1 1 456.356 3.270 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)c1ccc(Br)cc1 ZINC001298333172 1064206953 /nfs/dbraw/zinc/20/69/53/1064206953.db2.gz SJMKMBISYFONRW-YESZJQIVSA-N 1 1 456.356 3.270 20 0 JGADMO CN(Cc1cccc(OC(F)F)c1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCC1 ZINC001298342009 1064210378 /nfs/dbraw/zinc/21/03/78/1064210378.db2.gz NMOSXKQLZLALAU-LJQANCHMSA-N 1 1 462.545 3.341 20 0 JGADMO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298342977 1064210950 /nfs/dbraw/zinc/21/09/50/1064210950.db2.gz SPRTZSSBGBIFHA-UHFFFAOYSA-N 1 1 475.544 3.027 20 0 JGADMO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298342977 1064210960 /nfs/dbraw/zinc/21/09/60/1064210960.db2.gz SPRTZSSBGBIFHA-UHFFFAOYSA-N 1 1 475.544 3.027 20 0 JGADMO C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001298348876 1064212906 /nfs/dbraw/zinc/21/29/06/1064212906.db2.gz MHGIGJUIGRVVIM-BLFHIAQRSA-N 1 1 453.558 3.021 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001298349276 1064213335 /nfs/dbraw/zinc/21/33/35/1064213335.db2.gz BXKCGZKDDGJTKZ-JOCHJYFZSA-N 1 1 482.654 3.264 20 0 JGADMO CN(Cc1ccccn1)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298376013 1064224699 /nfs/dbraw/zinc/22/46/99/1064224699.db2.gz UXNSOUQQLPGUBT-UHFFFAOYSA-N 1 1 454.550 3.138 20 0 JGADMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC001298378620 1064225826 /nfs/dbraw/zinc/22/58/26/1064225826.db2.gz LWKULMREXVMRNH-XMSQKQJNSA-N 1 1 457.596 3.069 20 0 JGADMO C[C@@H](Sc1nncn1C)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001298396050 1064232221 /nfs/dbraw/zinc/23/22/21/1064232221.db2.gz OUACNHJGUYZGMM-DENIHFKCSA-N 1 1 450.612 3.384 20 0 JGADMO CN(Cc1cscn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298434256 1064250183 /nfs/dbraw/zinc/25/01/83/1064250183.db2.gz XONXMJAHNCXDAI-KRWDZBQOSA-N 1 1 468.612 3.383 20 0 JGADMO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CC=CCC1 ZINC001298439554 1064252028 /nfs/dbraw/zinc/25/20/28/1064252028.db2.gz LCFCMIZTFUQOCS-UHFFFAOYSA-N 1 1 492.531 3.299 20 0 JGADMO CN(Cc1nccs1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001298450265 1064257890 /nfs/dbraw/zinc/25/78/90/1064257890.db2.gz UKIWGFMOUNGIDM-UHFFFAOYSA-N 1 1 472.018 3.216 20 0 JGADMO CN(CC1CC(F)(F)C1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298479449 1064272273 /nfs/dbraw/zinc/27/22/73/1064272273.db2.gz QACYXRMYTFQOQI-LJQANCHMSA-N 1 1 451.537 3.336 20 0 JGADMO CN(CC1CC(F)(F)C1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298479448 1064272337 /nfs/dbraw/zinc/27/23/37/1064272337.db2.gz QACYXRMYTFQOQI-IBGZPJMESA-N 1 1 451.537 3.336 20 0 JGADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CC3CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001298490020 1064277073 /nfs/dbraw/zinc/27/70/73/1064277073.db2.gz DLIDCGPZNZYTNE-NRFANRHFSA-N 1 1 474.675 3.162 20 0 JGADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c(c3)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N4)C2)C1 ZINC001298519440 1064288454 /nfs/dbraw/zinc/28/84/54/1064288454.db2.gz SRFDONLCCRIISC-CJFMBICVSA-N 1 1 456.587 3.023 20 0 JGADMO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001298553322 1064318856 /nfs/dbraw/zinc/31/88/56/1064318856.db2.gz AKLKGROCFNRTST-IBGZPJMESA-N 1 1 475.659 3.086 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298559342 1064324213 /nfs/dbraw/zinc/32/42/13/1064324213.db2.gz CYMYMHWTPSVXEW-YPAWHYETSA-N 1 1 476.710 3.086 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298559342 1064324227 /nfs/dbraw/zinc/32/42/27/1064324227.db2.gz CYMYMHWTPSVXEW-YPAWHYETSA-N 1 1 476.710 3.086 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298559342 1064324253 /nfs/dbraw/zinc/32/42/53/1064324253.db2.gz CYMYMHWTPSVXEW-YPAWHYETSA-N 1 1 476.710 3.086 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001298587719 1064360540 /nfs/dbraw/zinc/36/05/40/1064360540.db2.gz MXNZCBYYYRTTJN-UHFFFAOYSA-N 1 1 461.582 3.030 20 0 JGADMO CN(CC1COC(C)(C)OC1)c1nnc(-c2ccccc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001298587719 1064360542 /nfs/dbraw/zinc/36/05/42/1064360542.db2.gz MXNZCBYYYRTTJN-UHFFFAOYSA-N 1 1 461.582 3.030 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298593233 1064367263 /nfs/dbraw/zinc/36/72/63/1064367263.db2.gz IETGRBVHRDEDTB-UHFFFAOYSA-N 1 1 477.539 3.431 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(-c2cccnc2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001298593941 1064368706 /nfs/dbraw/zinc/36/87/06/1064368706.db2.gz OKOADJVLGSHKOJ-FQEVSTJZSA-N 1 1 460.504 3.344 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001298595208 1064371407 /nfs/dbraw/zinc/37/14/07/1064371407.db2.gz DUVYULMTBZWPLC-JKSUJKDBSA-N 1 1 491.605 3.467 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(CN2CCCC2=O)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298600618 1064375388 /nfs/dbraw/zinc/37/53/88/1064375388.db2.gz ICMYPSVVQGKQMX-HXUWFJFHSA-N 1 1 494.562 3.080 20 0 JGADMO CN(CCC(F)F)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001298608890 1064380685 /nfs/dbraw/zinc/38/06/85/1064380685.db2.gz YXVHZDFDYVHXSB-KRWDZBQOSA-N 1 1 472.581 3.164 20 0 JGADMO CN(CCC1CC1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298638919 1064413534 /nfs/dbraw/zinc/41/35/34/1064413534.db2.gz BDEBBFADPUUIFS-QFIPXVFZSA-N 1 1 490.693 3.476 20 0 JGADMO CN(CCC1CC1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001298641985 1064415136 /nfs/dbraw/zinc/41/51/36/1064415136.db2.gz XOQILNIABMZCOL-UHFFFAOYSA-N 1 1 476.666 3.351 20 0 JGADMO CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1 ZINC001298642086 1064415303 /nfs/dbraw/zinc/41/53/03/1064415303.db2.gz WAFUWXYCMQSBGN-SFHVURJKSA-N 1 1 458.580 3.409 20 0 JGADMO CN(CCCCCO)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298659445 1064434986 /nfs/dbraw/zinc/43/49/86/1064434986.db2.gz RPLGDPSCLTZBFS-UHFFFAOYSA-N 1 1 480.451 3.417 20 0 JGADMO CN(c1nnc(-c2ccccc2F)n1CCC[N@@H+](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001298667004 1064446398 /nfs/dbraw/zinc/44/63/98/1064446398.db2.gz TWYUIWYQKIVVLI-IBGZPJMESA-N 1 1 463.623 3.362 20 0 JGADMO CN(CCCn1c(-c2cnccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001298668663 1064448087 /nfs/dbraw/zinc/44/80/87/1064448087.db2.gz FNYAIHXFXVAGBF-FQEVSTJZSA-N 1 1 488.562 3.330 20 0 JGADMO CN(CCCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001298668666 1064448262 /nfs/dbraw/zinc/44/82/62/1064448262.db2.gz FNYAIHXFXVAGBF-HXUWFJFHSA-N 1 1 488.562 3.330 20 0 JGADMO CN(CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)CC(F)(F)F ZINC001298670915 1064454165 /nfs/dbraw/zinc/45/41/65/1064454165.db2.gz YTKJPATZWBMMAQ-OAQYLSRUSA-N 1 1 490.578 3.274 20 0 JGADMO C[N@@H+](CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)F)CC1)Cc1ccccc1 ZINC001298670744 1064454260 /nfs/dbraw/zinc/45/42/60/1064454260.db2.gz DEMHUXVWTCEVDB-NRFANRHFSA-N 1 1 462.589 3.429 20 0 JGADMO C[N@@H+](CCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)F)CC1)Cc1ccccc1 ZINC001298670745 1064454491 /nfs/dbraw/zinc/45/44/91/1064454491.db2.gz DEMHUXVWTCEVDB-OAQYLSRUSA-N 1 1 462.589 3.429 20 0 JGADMO CN(CCCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1)CC(F)(F)F ZINC001298672459 1064457262 /nfs/dbraw/zinc/45/72/62/1064457262.db2.gz TVXHKDKHLRWBQU-KRWDZBQOSA-N 1 1 472.581 3.050 20 0 JGADMO CN(CCCn1c(CCOc2ccccc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)CC(F)(F)F ZINC001298675648 1064463676 /nfs/dbraw/zinc/46/36/76/1064463676.db2.gz LJRVKAJHXGAFBF-HXUWFJFHSA-N 1 1 480.579 3.458 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001298696019 1064495536 /nfs/dbraw/zinc/49/55/36/1064495536.db2.gz JERCMFHQPOYMJQ-GGPKGHCWSA-N 1 1 481.688 3.145 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1)Cc1ccccc1 ZINC001298697044 1064497209 /nfs/dbraw/zinc/49/72/09/1064497209.db2.gz GYNSZLIJEKLSBI-UHFFFAOYSA-N 1 1 494.484 3.470 20 0 JGADMO C[N@@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)C1)C1CCCCC1 ZINC001298697406 1064499919 /nfs/dbraw/zinc/49/99/19/1064499919.db2.gz FVKGVZVHGZFKGG-UHFFFAOYSA-N 1 1 479.398 3.047 20 0 JGADMO C[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC=C(C(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001298698548 1064501657 /nfs/dbraw/zinc/50/16/57/1064501657.db2.gz RUKFIAROAUZBKC-UHFFFAOYSA-N 1 1 480.510 3.484 20 0 JGADMO C[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC001298699180 1064502899 /nfs/dbraw/zinc/50/28/99/1064502899.db2.gz ZOUFXKFPRCLVPP-CQSZACIVSA-N 1 1 481.464 3.345 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001298704419 1064506904 /nfs/dbraw/zinc/50/69/04/1064506904.db2.gz HOKDXDCTBVTIRO-SFHVURJKSA-N 1 1 455.607 3.318 20 0 JGADMO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C1CCCCC1 ZINC001298712295 1064519561 /nfs/dbraw/zinc/51/95/61/1064519561.db2.gz ARRWQLBXXWYVNG-HSZRJFAPSA-N 1 1 451.681 3.146 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001298712944 1064520512 /nfs/dbraw/zinc/52/05/12/1064520512.db2.gz DBMBNZRINVEFGN-LEWJYISDSA-N 1 1 474.694 3.425 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001298712951 1064520770 /nfs/dbraw/zinc/52/07/70/1064520770.db2.gz DBMBNZRINVEFGN-RTWAWAEBSA-N 1 1 474.694 3.425 20 0 JGADMO C[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)Cc1ccccc1 ZINC001298713927 1064522596 /nfs/dbraw/zinc/52/25/96/1064522596.db2.gz IHDDTVBOOBEKTD-FGZHOGPDSA-N 1 1 489.686 3.096 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)Cc1ccccc1 ZINC001298713927 1064522612 /nfs/dbraw/zinc/52/26/12/1064522612.db2.gz IHDDTVBOOBEKTD-FGZHOGPDSA-N 1 1 489.686 3.096 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CCCCC1 ZINC001298714023 1064523062 /nfs/dbraw/zinc/52/30/62/1064523062.db2.gz XQGVFSZWBFJAKY-HXUWFJFHSA-N 1 1 456.610 3.364 20 0 JGADMO C[N@@H+](CCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1C(C)(C)C)C1CCCC1 ZINC001298719621 1064529904 /nfs/dbraw/zinc/52/99/04/1064529904.db2.gz MWJQHHIUQVBNOD-UHFFFAOYSA-N 1 1 470.637 3.480 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCO1 ZINC001298727488 1064536829 /nfs/dbraw/zinc/53/68/29/1064536829.db2.gz FHAFMXCEUBLKIO-OAHLLOKOSA-N 1 1 484.464 3.495 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCO1 ZINC001298727488 1064536838 /nfs/dbraw/zinc/53/68/38/1064536838.db2.gz FHAFMXCEUBLKIO-OAHLLOKOSA-N 1 1 484.464 3.495 20 0 JGADMO C[N@@H+](CCN1CCN(c2nnc(C(C)(C)C)n2CCOc2ncccc2F)CC1)Cc1ccccc1 ZINC001298727886 1064538442 /nfs/dbraw/zinc/53/84/42/1064538442.db2.gz ITXQYBJWFOUQSZ-UHFFFAOYSA-N 1 1 495.647 3.443 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001298728158 1064538715 /nfs/dbraw/zinc/53/87/15/1064538715.db2.gz MYMXSLAZWGNKCA-QHCPKHFHSA-N 1 1 492.546 3.270 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001298728158 1064538733 /nfs/dbraw/zinc/53/87/33/1064538733.db2.gz MYMXSLAZWGNKCA-QHCPKHFHSA-N 1 1 492.546 3.270 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1C[C@H](F)C1 ZINC001298728310 1064539660 /nfs/dbraw/zinc/53/96/60/1064539660.db2.gz QCOUWVWHFPERET-KESTWPANSA-N 1 1 493.649 3.034 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1C[C@H](F)C1 ZINC001298728310 1064539672 /nfs/dbraw/zinc/53/96/72/1064539672.db2.gz QCOUWVWHFPERET-KESTWPANSA-N 1 1 493.649 3.034 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CCCO[C@@H]1CCOC1 ZINC001298728520 1064540955 /nfs/dbraw/zinc/54/09/55/1064540955.db2.gz VPWXYQLLCUQCFS-LJQANCHMSA-N 1 1 496.027 3.480 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CCCO[C@@H]1CCOC1 ZINC001298728520 1064540967 /nfs/dbraw/zinc/54/09/67/1064540967.db2.gz VPWXYQLLCUQCFS-LJQANCHMSA-N 1 1 496.027 3.480 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1CCCc1cnn(C)c1 ZINC001298729437 1064544056 /nfs/dbraw/zinc/54/40/56/1064544056.db2.gz JVSZFTWICIZFIO-UHFFFAOYSA-N 1 1 487.599 3.060 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2c(F)cccc2F)n1CCCc1cnn(C)c1 ZINC001298729437 1064544074 /nfs/dbraw/zinc/54/40/74/1064544074.db2.gz JVSZFTWICIZFIO-UHFFFAOYSA-N 1 1 487.599 3.060 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001298730120 1064544798 /nfs/dbraw/zinc/54/47/98/1064544798.db2.gz RXLKGLLUBGZJMI-OFVILXPXSA-N 1 1 475.609 3.114 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001298730120 1064544813 /nfs/dbraw/zinc/54/48/13/1064544813.db2.gz RXLKGLLUBGZJMI-OFVILXPXSA-N 1 1 475.609 3.114 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CNC(=O)c2cccs2)n1CC1CCCC1 ZINC001298733032 1064548002 /nfs/dbraw/zinc/54/80/02/1064548002.db2.gz IKCAMEMBBOOVQQ-UHFFFAOYSA-N 1 1 460.648 3.007 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CNC(=O)c2cccs2)n1CC1CCCC1 ZINC001298733032 1064548014 /nfs/dbraw/zinc/54/80/14/1064548014.db2.gz IKCAMEMBBOOVQQ-UHFFFAOYSA-N 1 1 460.648 3.007 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCCOc1ccc(F)cc1 ZINC001298733214 1064548246 /nfs/dbraw/zinc/54/82/46/1064548246.db2.gz LECLJBDRXFSIBS-OAQYLSRUSA-N 1 1 461.582 3.285 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1CCCOc1ccc(F)cc1 ZINC001298733214 1064548261 /nfs/dbraw/zinc/54/82/61/1064548261.db2.gz LECLJBDRXFSIBS-OAQYLSRUSA-N 1 1 461.582 3.285 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001298753986 1064563742 /nfs/dbraw/zinc/56/37/42/1064563742.db2.gz ZHFLDDVRBMLYHG-RBUKOAKNSA-N 1 1 495.715 3.330 20 0 JGADMO CN(CCOc1ccc(Cl)cc1)c1nnc([C@H]2CCCO2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298760470 1064568806 /nfs/dbraw/zinc/56/88/06/1064568806.db2.gz MHRJJAUGNALVJR-OAQYLSRUSA-N 1 1 477.053 3.324 20 0 JGADMO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC001298764100 1064572389 /nfs/dbraw/zinc/57/23/89/1064572389.db2.gz STQIQYOUVDXJCW-MRXNPFEDSA-N 1 1 453.402 3.001 20 0 JGADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC001298764100 1064572397 /nfs/dbraw/zinc/57/23/97/1064572397.db2.gz STQIQYOUVDXJCW-MRXNPFEDSA-N 1 1 453.402 3.001 20 0 JGADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc([C@@H]2CCCOC2)n1CCCOC(F)(F)F ZINC001298781337 1064584931 /nfs/dbraw/zinc/58/49/31/1064584931.db2.gz BRYYWJXWCWUMFZ-NLWGTHIKSA-N 1 1 499.582 3.351 20 0 JGADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC001298799958 1064597277 /nfs/dbraw/zinc/59/72/77/1064597277.db2.gz JWHGMBPUWOZACK-SFHVURJKSA-N 1 1 459.612 3.297 20 0 JGADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC1)n2C ZINC001298822247 1064623989 /nfs/dbraw/zinc/62/39/89/1064623989.db2.gz JCILUALYZTYJAL-QGZVFWFLSA-N 1 1 456.591 3.144 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(CCc4ccccc4)n3CCCOC(F)(F)F)CC2)cn1 ZINC001298828688 1064633011 /nfs/dbraw/zinc/63/30/11/1064633011.db2.gz WAKOUFVKBFOSHU-UHFFFAOYSA-N 1 1 491.562 3.436 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(COc4ccc(Cl)cc4)n3CCC(C)(C)O)CC2)cn1 ZINC001298835002 1064638132 /nfs/dbraw/zinc/63/81/32/1064638132.db2.gz STSOVQVFUWVRSH-UHFFFAOYSA-N 1 1 488.036 3.117 20 0 JGADMO Cn1ccc(Nc2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001298843631 1064647017 /nfs/dbraw/zinc/64/70/17/1064647017.db2.gz YHMZKKXDGUOBCU-UHFFFAOYSA-N 1 1 460.380 3.296 20 0 JGADMO Cn1ccc(Nc2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001298843631 1064647022 /nfs/dbraw/zinc/64/70/22/1064647022.db2.gz YHMZKKXDGUOBCU-UHFFFAOYSA-N 1 1 460.380 3.296 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298877446 1064682591 /nfs/dbraw/zinc/68/25/91/1064682591.db2.gz FLEAEXWLMSLXDM-HXUWFJFHSA-N 1 1 483.926 3.054 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298878158 1064683125 /nfs/dbraw/zinc/68/31/25/1064683125.db2.gz JZLISFHDCDOBLT-IBGZPJMESA-N 1 1 481.782 3.052 20 0 JGADMO CN(Cc1ccsc1)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298879873 1064684951 /nfs/dbraw/zinc/68/49/51/1064684951.db2.gz QYTRTNPRYVGVSE-HXUWFJFHSA-N 1 1 462.417 3.472 20 0 JGADMO CN(CCC(F)F)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298880834 1064686607 /nfs/dbraw/zinc/68/66/07/1064686607.db2.gz XQXSVGRCHZEKSN-QHCPKHFHSA-N 1 1 461.513 3.275 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298880805 1064686918 /nfs/dbraw/zinc/68/69/18/1064686918.db2.gz ACXBGPXNEPQZBW-XMMPIXPASA-N 1 1 471.005 3.041 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298881443 1064687464 /nfs/dbraw/zinc/68/74/64/1064687464.db2.gz FUKRWNLVXYZPMB-AJTFRIOCSA-N 1 1 498.672 3.014 20 0 JGADMO CN(c1nnc(CC2CC2)n1C[C@]1(O)CC[N@@H+](C)C1)[C@@H](CF)c1ccc(Br)cc1 ZINC001298881467 1064687656 /nfs/dbraw/zinc/68/76/56/1064687656.db2.gz FZQLQBXZMGQAKY-RXVVDRJESA-N 1 1 466.399 3.207 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001298881896 1064688584 /nfs/dbraw/zinc/68/85/84/1064688584.db2.gz MSTDTAYLYNPSHI-HYBUGGRVSA-N 1 1 462.038 3.373 20 0 JGADMO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298882149 1064688608 /nfs/dbraw/zinc/68/86/08/1064688608.db2.gz QIWQJHOHWNONPM-RXVVDRJESA-N 1 1 453.509 3.242 20 0 JGADMO CN(Cc1cscn1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298882240 1064689232 /nfs/dbraw/zinc/68/92/32/1064689232.db2.gz SLGOTVXJSYIUPZ-HXUWFJFHSA-N 1 1 465.048 3.383 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCCCO)C1CC1 ZINC001298884851 1064691189 /nfs/dbraw/zinc/69/11/89/1064691189.db2.gz FMDJMPNFCJKBLO-JOCHJYFZSA-N 1 1 489.686 3.210 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 ZINC001298885264 1064691293 /nfs/dbraw/zinc/69/12/93/1064691293.db2.gz IIRJMPJDUZPIRR-GOSISDBHSA-N 1 1 454.015 3.427 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001298885707 1064692178 /nfs/dbraw/zinc/69/21/78/1064692178.db2.gz AWKGKXOAJGOPRR-OAQYLSRUSA-N 1 1 467.662 3.079 20 0 JGADMO CN(CCCc1cc(-c2ccccc2)no1)c1nnc(C(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298885819 1064692939 /nfs/dbraw/zinc/69/29/39/1064692939.db2.gz MANJQSPDJHYTMF-VWLOTQADSA-N 1 1 452.603 3.366 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001298886316 1064693956 /nfs/dbraw/zinc/69/39/56/1064693956.db2.gz FNJCQTWLSSAABF-VXKWHMMOSA-N 1 1 452.647 3.276 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(F)cc2Cl)CC1 ZINC001298886852 1064695806 /nfs/dbraw/zinc/69/58/06/1064695806.db2.gz HZVLZTIXPYLEGL-FQEVSTJZSA-N 1 1 477.028 3.354 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001298886752 1064695852 /nfs/dbraw/zinc/69/58/52/1064695852.db2.gz SFJIBIFMMNMQJN-XMSQKQJNSA-N 1 1 451.974 3.013 20 0 JGADMO C[C@@H]1[C@@H](NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001298888246 1064697911 /nfs/dbraw/zinc/69/79/11/1064697911.db2.gz NZHRJHODLXPSEX-AOUJKTHWSA-N 1 1 456.587 3.312 20 0 JGADMO C[C@@H]1[C@H](NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001298888247 1064697944 /nfs/dbraw/zinc/69/79/44/1064697944.db2.gz NZHRJHODLXPSEX-BSWQBHCVSA-N 1 1 456.587 3.312 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC001298888902 1064698802 /nfs/dbraw/zinc/69/88/02/1064698802.db2.gz PQCMMUMBSUMMHU-HUVFLSCGSA-N 1 1 457.640 3.467 20 0 JGADMO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCOC1 ZINC001298888701 1064698914 /nfs/dbraw/zinc/69/89/14/1064698914.db2.gz OIURIPVPPXEUOB-ZGXWSNOMSA-N 1 1 476.666 3.394 20 0 JGADMO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298889389 1064699594 /nfs/dbraw/zinc/69/95/94/1064699594.db2.gz RQNPFJZXIGFZLA-NRFANRHFSA-N 1 1 495.640 3.281 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298889389 1064699598 /nfs/dbraw/zinc/69/95/98/1064699598.db2.gz RQNPFJZXIGFZLA-NRFANRHFSA-N 1 1 495.640 3.281 20 0 JGADMO C[C@@H]1[C@H](NC(=O)COc2ccc(I)cc2)CC[N@H+]1Cc1ccccc1 ZINC001298890770 1064700480 /nfs/dbraw/zinc/70/04/80/1064700480.db2.gz YNKCOBSNGXSURN-DNVCBOLYSA-N 1 1 450.320 3.449 20 0 JGADMO CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+](C)C2CCCCC2)CC1=O ZINC001298895682 1064702832 /nfs/dbraw/zinc/70/28/32/1064702832.db2.gz CNGYSMNNZVNCTA-IFMALSPDSA-N 1 1 460.667 3.130 20 0 JGADMO C[N@H+]1CCN(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001298896872 1064703707 /nfs/dbraw/zinc/70/37/07/1064703707.db2.gz IRLVABCDDHSPSY-ZWKOTPCHSA-N 1 1 458.573 3.324 20 0 JGADMO CCc1c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cnn1-c1ccc(Br)cc1 ZINC001298899643 1064705578 /nfs/dbraw/zinc/70/55/78/1064705578.db2.gz XQNFOEIYLZVKHG-UHFFFAOYSA-N 1 1 450.425 3.153 20 0 JGADMO CCc1c(C(=O)N(C)CCCN(C)CC[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC001298899643 1064705590 /nfs/dbraw/zinc/70/55/90/1064705590.db2.gz XQNFOEIYLZVKHG-UHFFFAOYSA-N 1 1 450.425 3.153 20 0 JGADMO C[N@H+]1CCN(CCn2c(N3CCO[C@H](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903388 1064708081 /nfs/dbraw/zinc/70/80/81/1064708081.db2.gz OIQRNHFEZLZBHI-JOCHJYFZSA-N 1 1 454.663 3.050 20 0 JGADMO CN1CC[N@H+](CCn2c(N3CCO[C@H](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903388 1064708093 /nfs/dbraw/zinc/70/80/93/1064708093.db2.gz OIQRNHFEZLZBHI-JOCHJYFZSA-N 1 1 454.663 3.050 20 0 JGADMO CN1CC[N@@H+](CCn2c(N3CCO[C@H](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903388 1064708104 /nfs/dbraw/zinc/70/81/04/1064708104.db2.gz OIQRNHFEZLZBHI-JOCHJYFZSA-N 1 1 454.663 3.050 20 0 JGADMO CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CC2)C1 ZINC001298910883 1064712442 /nfs/dbraw/zinc/71/24/42/1064712442.db2.gz ZPNQMAGXXIITCE-DHIUTWEWSA-N 1 1 456.631 3.195 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001298917083 1064718392 /nfs/dbraw/zinc/71/83/92/1064718392.db2.gz TURVACCVPBRNBA-YJBOKZPZSA-N 1 1 475.435 3.153 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001298921368 1064722086 /nfs/dbraw/zinc/72/20/86/1064722086.db2.gz KKKOYTVSFANGJB-QGZVFWFLSA-N 1 1 461.010 3.054 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001298922707 1064723110 /nfs/dbraw/zinc/72/31/10/1064723110.db2.gz XOWKQUAJBBTGCN-BEFAXECRSA-N 1 1 495.455 3.181 20 0 JGADMO CNC(=O)C(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001298931967 1064729378 /nfs/dbraw/zinc/72/93/78/1064729378.db2.gz IRLRUICLZKVCLT-TZIWHRDSSA-N 1 1 454.619 3.003 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001298948548 1064739515 /nfs/dbraw/zinc/73/95/15/1064739515.db2.gz IPGZBRZJUZVCGO-OALUTQOASA-N 1 1 456.660 3.324 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001298948547 1064739548 /nfs/dbraw/zinc/73/95/48/1064739548.db2.gz IPGZBRZJUZVCGO-MOPGFXCFSA-N 1 1 456.660 3.324 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001298967498 1064757887 /nfs/dbraw/zinc/75/78/87/1064757887.db2.gz ZSQAZVKNWPESEE-CVEARBPZSA-N 1 1 475.435 3.010 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2Br)n1CCCn1cc[nH+]c1C ZINC001298969421 1064760366 /nfs/dbraw/zinc/76/03/66/1064760366.db2.gz JXFBDAPCBJFZCM-OAHLLOKOSA-N 1 1 474.407 3.121 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2OC)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001298970219 1064761548 /nfs/dbraw/zinc/76/15/48/1064761548.db2.gz NHRYAAZBXPLVJJ-OALUTQOASA-N 1 1 456.635 3.283 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001298986453 1064770253 /nfs/dbraw/zinc/77/02/53/1064770253.db2.gz XLZRMDBLESHNCG-KNQAVFIVSA-N 1 1 468.646 3.175 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001299002725 1064781625 /nfs/dbraw/zinc/78/16/25/1064781625.db2.gz NAGOOXRGYUOFID-RBBKRZOGSA-N 1 1 468.646 3.309 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001299004837 1064786477 /nfs/dbraw/zinc/78/64/77/1064786477.db2.gz GVHFGNVYYXPIRM-AOMKIAJQSA-N 1 1 475.435 3.154 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299004863 1064786543 /nfs/dbraw/zinc/78/65/43/1064786543.db2.gz GXDYBYOQICMUCS-NXMSCROESA-N 1 1 475.037 3.060 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299012011 1064795476 /nfs/dbraw/zinc/79/54/76/1064795476.db2.gz DSFDYAQYAUSSDT-BXKMTCNYSA-N 1 1 475.037 3.301 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001299014428 1064797018 /nfs/dbraw/zinc/79/70/18/1064797018.db2.gz AJQHTXIYXALFEE-SANMLTNESA-N 1 1 484.645 3.047 20 0 JGADMO O=C(N[C@@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)c1ccccc1)OCc1ccccc1 ZINC001299032081 1064819429 /nfs/dbraw/zinc/81/94/29/1064819429.db2.gz FXXJYVOQDUNZBI-XMMPIXPASA-N 1 1 451.567 3.367 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001299031932 1064819446 /nfs/dbraw/zinc/81/94/46/1064819446.db2.gz CJZFEQGRRKSGEH-AREMUKBSSA-N 1 1 468.646 3.392 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299034614 1064824309 /nfs/dbraw/zinc/82/43/09/1064824309.db2.gz XHPREFMISADEHD-RUZDIDTESA-N 1 1 454.619 3.002 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299034708 1064824433 /nfs/dbraw/zinc/82/44/33/1064824433.db2.gz YWYXQAZQFGQUBG-FNZWTVRRSA-N 1 1 468.646 3.168 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001299068732 1064863638 /nfs/dbraw/zinc/86/36/38/1064863638.db2.gz QTGHZXRHROPXMB-GUDVDZBRSA-N 1 1 458.582 3.004 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001299070725 1064868340 /nfs/dbraw/zinc/86/83/40/1064868340.db2.gz ADJPYENAYVRCPG-LJQANCHMSA-N 1 1 487.446 3.240 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001299072772 1064873773 /nfs/dbraw/zinc/87/37/73/1064873773.db2.gz KAFZKOKGLZMIIL-ZIAGYGMSSA-N 1 1 481.464 3.214 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299085343 1064890831 /nfs/dbraw/zinc/89/08/31/1064890831.db2.gz KTWQBXFWGYCHFV-LJQANCHMSA-N 1 1 459.038 3.359 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299100476 1064906911 /nfs/dbraw/zinc/90/69/11/1064906911.db2.gz NXVXCGKJECKBII-XZOQPEGZSA-N 1 1 482.673 3.496 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001299100475 1064907158 /nfs/dbraw/zinc/90/71/58/1064907158.db2.gz NXVXCGKJECKBII-PKTZIBPZSA-N 1 1 482.673 3.496 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001299109539 1064917520 /nfs/dbraw/zinc/91/75/20/1064917520.db2.gz FOPMMAWPVCYGLU-UHFFFAOYSA-N 1 1 495.716 3.231 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001299109539 1064917533 /nfs/dbraw/zinc/91/75/33/1064917533.db2.gz FOPMMAWPVCYGLU-UHFFFAOYSA-N 1 1 495.716 3.231 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001299109539 1064917541 /nfs/dbraw/zinc/91/75/41/1064917541.db2.gz FOPMMAWPVCYGLU-UHFFFAOYSA-N 1 1 495.716 3.231 20 0 JGADMO CNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001299119343 1064928222 /nfs/dbraw/zinc/92/82/22/1064928222.db2.gz DZDITZQEGPUXTD-QFIPXVFZSA-N 1 1 452.647 3.146 20 0 JGADMO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001299125549 1064932769 /nfs/dbraw/zinc/93/27/69/1064932769.db2.gz AONIJJMLAQLMFT-CRAIPNDOSA-N 1 1 456.450 3.149 20 0 JGADMO CNC(=O)[C@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299129464 1064937596 /nfs/dbraw/zinc/93/75/96/1064937596.db2.gz VZAISUCXVONFBC-XUZZJYLKSA-N 1 1 498.672 3.251 20 0 JGADMO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC001299130395 1064938927 /nfs/dbraw/zinc/93/89/27/1064938927.db2.gz JCNTWJHVHYOPQC-MSOLQXFVSA-N 1 1 450.421 3.458 20 0 JGADMO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001299133427 1064940977 /nfs/dbraw/zinc/94/09/77/1064940977.db2.gz HKAIQXHFAFRZLB-OXQOHEQNSA-N 1 1 495.455 3.468 20 0 JGADMO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299133746 1064941426 /nfs/dbraw/zinc/94/14/26/1064941426.db2.gz KDFXCUGGWOFGTN-QHCPKHFHSA-N 1 1 482.673 3.458 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299752797 1064952806 /nfs/dbraw/zinc/95/28/06/1064952806.db2.gz WZDLPSUQIYSYSR-QHCPKHFHSA-N 1 1 495.455 3.421 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001299762746 1064959741 /nfs/dbraw/zinc/95/97/41/1064959741.db2.gz OBWAOTPAMBMHHR-XMMPIXPASA-N 1 1 463.573 3.265 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299764972 1064961685 /nfs/dbraw/zinc/96/16/85/1064961685.db2.gz QTPKKQQMSLEURK-RUZDIDTESA-N 1 1 470.666 3.188 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299765643 1064962257 /nfs/dbraw/zinc/96/22/57/1064962257.db2.gz GOCDXUHOOHIBDQ-IEGUWTFLSA-N 1 1 462.664 3.138 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001299773032 1064972624 /nfs/dbraw/zinc/97/26/24/1064972624.db2.gz LMSJXVWETWRTPJ-PXDATVDWSA-N 1 1 457.619 3.018 20 0 JGADMO COC1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001299775505 1064976727 /nfs/dbraw/zinc/97/67/27/1064976727.db2.gz QQEFTCDTNNANSY-GOSISDBHSA-N 1 1 477.053 3.323 20 0 JGADMO COC1(C)CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299786722 1064984301 /nfs/dbraw/zinc/98/43/01/1064984301.db2.gz TYLDVUOPJHBUFY-OAQYLSRUSA-N 1 1 457.619 3.056 20 0 JGADMO COC1(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CCCCC1 ZINC001299794025 1064990009 /nfs/dbraw/zinc/99/00/09/1064990009.db2.gz AKLFJBFZIXPKJG-IFMALSPDSA-N 1 1 460.667 3.130 20 0 JGADMO COC1(Cn2c(-c3cccn3C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCCCC1 ZINC001299803678 1065001882 /nfs/dbraw/zinc/00/18/82/1065001882.db2.gz RPTQDJREPHLIHG-UHFFFAOYSA-N 1 1 458.651 3.428 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOCC2(C)C)cc1OC ZINC001299823876 1065016863 /nfs/dbraw/zinc/01/68/63/1065016863.db2.gz AVLJNRZEVDKCJL-UHFFFAOYSA-N 1 1 482.629 3.356 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc(-c3cccn3C)n2CC[N@H+]2CCOCC2(C)C)cc1OC ZINC001299823876 1065016873 /nfs/dbraw/zinc/01/68/73/1065016873.db2.gz AVLJNRZEVDKCJL-UHFFFAOYSA-N 1 1 482.629 3.356 20 0 JGADMO COc1cc(C)c(CN(C)c2nnc([C@H]3CCCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001299827504 1065020472 /nfs/dbraw/zinc/02/04/72/1065020472.db2.gz MXZCDFHELFRUHL-OAQYLSRUSA-N 1 1 486.661 3.118 20 0 JGADMO COc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001299834907 1065026468 /nfs/dbraw/zinc/02/64/68/1065026468.db2.gz OABHKTSAJSIQTB-UHFFFAOYSA-N 1 1 451.619 3.288 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CC(F)(F)F)ccc1OC(C)C ZINC001299843581 1065041562 /nfs/dbraw/zinc/04/15/62/1065041562.db2.gz DZTSELBADUJWJC-FUHWJXTLSA-N 1 1 483.535 3.460 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299844462 1065043132 /nfs/dbraw/zinc/04/31/32/1065043132.db2.gz SCPYLWYTBYFQAD-HDICACEKSA-N 1 1 461.607 3.315 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CC[N@@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299847750 1065049725 /nfs/dbraw/zinc/04/97/25/1065049725.db2.gz COIVZNVFUHXGBT-ROUUACIJSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CC[N@H+]2CCOCC2(C)C)cc(OC)c1OC ZINC001299847750 1065049733 /nfs/dbraw/zinc/04/97/33/1065049733.db2.gz COIVZNVFUHXGBT-ROUUACIJSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCC(F)(F)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC001299850985 1065055315 /nfs/dbraw/zinc/05/53/15/1065055315.db2.gz QSXPBRKLYPRUOV-CALCHBBNSA-N 1 1 495.571 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCCO[C@@H](C)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC001299854802 1065062755 /nfs/dbraw/zinc/06/27/55/1065062755.db2.gz NKXYFLKXENESJH-OALUTQOASA-N 1 1 473.618 3.318 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCSC)ccc1OC(C)C ZINC001299857801 1065068555 /nfs/dbraw/zinc/06/85/55/1065068555.db2.gz YUBUUROHYCHGON-LJQANCHMSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCSC)ccc1OC(C)C ZINC001299857801 1065068568 /nfs/dbraw/zinc/06/85/68/1065068568.db2.gz YUBUUROHYCHGON-LJQANCHMSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC001299859676 1065073187 /nfs/dbraw/zinc/07/31/87/1065073187.db2.gz HMCPPONONPXABR-MOPGFXCFSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC001299859679 1065073294 /nfs/dbraw/zinc/07/32/94/1065073294.db2.gz HMCPPONONPXABR-RTBURBONSA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC001299859677 1065073329 /nfs/dbraw/zinc/07/33/29/1065073329.db2.gz HMCPPONONPXABR-OALUTQOASA-N 1 1 473.618 3.316 20 0 JGADMO COc1cc(-c2nnc(N3CCOC[C@@H]3C)n2CCC[N@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC001299859625 1065073437 /nfs/dbraw/zinc/07/34/37/1065073437.db2.gz GTPSHGKZOVOBLU-OALUTQOASA-N 1 1 473.618 3.461 20 0 JGADMO COc1cc(-c2nnc(N3CCS(=O)CC3)n2CC[N@H+]2CCCC(C)(C)C2)ccc1OC(C)C ZINC001299860317 1065075279 /nfs/dbraw/zinc/07/52/79/1065075279.db2.gz QTVQNOHAZQRKKR-UHFFFAOYSA-N 1 1 489.686 3.432 20 0 JGADMO COc1cc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1OC(C)C ZINC001299860741 1065076061 /nfs/dbraw/zinc/07/60/61/1065076061.db2.gz WKOWLWNXQHWKJR-IFMALSPDSA-N 1 1 487.645 3.323 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc(OC)c1OC ZINC001299861172 1065077193 /nfs/dbraw/zinc/07/71/93/1065077193.db2.gz BZBISZHTPUPGLW-GGPKGHCWSA-N 1 1 491.608 3.266 20 0 JGADMO COc1cc(CCn2c(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)ccc1C ZINC001299866992 1065084980 /nfs/dbraw/zinc/08/49/80/1065084980.db2.gz DMCPLWHFORJNPA-XMMPIXPASA-N 1 1 498.716 3.367 20 0 JGADMO COc1cc(CN(C)c2nnc(C)n2C[C@]2([NH+]3CCOCC3)CCSC2)ccc1OC(F)F ZINC001299869289 1065086930 /nfs/dbraw/zinc/08/69/30/1065086930.db2.gz DIADKYRANJCBLO-JOCHJYFZSA-N 1 1 483.585 3.041 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)cc(OC)c1 ZINC001299870918 1065088869 /nfs/dbraw/zinc/08/88/69/1065088869.db2.gz GMZKLLBLVALAJX-UHFFFAOYSA-N 1 1 466.586 3.105 20 0 JGADMO COc1cc(CN(C)c2nnc(-c3ccccn3)n2CC[N@H+]2CCOCC2(C)C)cc(OC)c1 ZINC001299870918 1065088882 /nfs/dbraw/zinc/08/88/82/1065088882.db2.gz GMZKLLBLVALAJX-UHFFFAOYSA-N 1 1 466.586 3.105 20 0 JGADMO COc1cc(CN(C)c2nnc(C3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)ccc1OC(F)F ZINC001299871327 1065089387 /nfs/dbraw/zinc/08/93/87/1065089387.db2.gz IYNYJBIAACKQRI-UHFFFAOYSA-N 1 1 478.588 3.428 20 0 JGADMO COc1cc(CN(C)c2nnc(C3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)ccc1OC(F)F ZINC001299871327 1065089401 /nfs/dbraw/zinc/08/94/01/1065089401.db2.gz IYNYJBIAACKQRI-UHFFFAOYSA-N 1 1 478.588 3.428 20 0 JGADMO COc1cc(CN(C)c2nnc(C3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)ccc1OC(F)F ZINC001299871327 1065089419 /nfs/dbraw/zinc/08/94/19/1065089419.db2.gz IYNYJBIAACKQRI-UHFFFAOYSA-N 1 1 478.588 3.428 20 0 JGADMO COc1cc(CN(C)c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOCC2(C)C)ccc1SC ZINC001299872644 1065091683 /nfs/dbraw/zinc/09/16/83/1065091683.db2.gz IIRTZISLHYBLQW-LJQANCHMSA-N 1 1 475.659 3.260 20 0 JGADMO COc1cc(CN(C)c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOCC2(C)C)ccc1SC ZINC001299872644 1065091699 /nfs/dbraw/zinc/09/16/99/1065091699.db2.gz IIRTZISLHYBLQW-LJQANCHMSA-N 1 1 475.659 3.260 20 0 JGADMO COc1cc(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1 ZINC001299873335 1065093372 /nfs/dbraw/zinc/09/33/72/1065093372.db2.gz NXSWBRVLGZXRRV-VWPQPMDRSA-N 1 1 487.645 3.325 20 0 JGADMO COc1cc(CN(C)c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCCC(C)(C)C2)cc(OC)c1 ZINC001299877274 1065096618 /nfs/dbraw/zinc/09/66/18/1065096618.db2.gz WISHZWCTEADABR-UHFFFAOYSA-N 1 1 484.645 3.176 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3CCCC(=O)N(C)C)CC2)cc(OC)c1 ZINC001299893404 1065123374 /nfs/dbraw/zinc/12/33/74/1065123374.db2.gz UJQSHOKCVVMVOU-UHFFFAOYSA-N 1 1 496.612 3.054 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCc2cnccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001299896338 1065129879 /nfs/dbraw/zinc/12/98/79/1065129879.db2.gz VJJVIOMYOWHYCO-UHFFFAOYSA-N 1 1 499.063 3.102 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCc2cnccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001299896338 1065129888 /nfs/dbraw/zinc/12/98/88/1065129888.db2.gz VJJVIOMYOWHYCO-UHFFFAOYSA-N 1 1 499.063 3.102 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCc2cnccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001299896338 1065129894 /nfs/dbraw/zinc/12/98/94/1065129894.db2.gz VJJVIOMYOWHYCO-UHFFFAOYSA-N 1 1 499.063 3.102 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001299900997 1065137353 /nfs/dbraw/zinc/13/73/53/1065137353.db2.gz HWZJWCMSTQYODC-HJPURHCSSA-N 1 1 461.010 3.041 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001299901100 1065137365 /nfs/dbraw/zinc/13/73/65/1065137365.db2.gz HWZJWCMSTQYODC-WAIKUNEKSA-N 1 1 461.010 3.041 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CC[N@@H+](C)C(C)C ZINC001299901669 1065138542 /nfs/dbraw/zinc/13/85/42/1065138542.db2.gz MIACNWNQWHKKJM-XMMPIXPASA-N 1 1 477.053 3.248 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CC[N@@H+](C)C(C)C ZINC001299901668 1065138577 /nfs/dbraw/zinc/13/85/77/1065138577.db2.gz MIACNWNQWHKKJM-DEOSSOPVSA-N 1 1 477.053 3.248 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCCCO ZINC001299902201 1065138614 /nfs/dbraw/zinc/13/86/14/1065138614.db2.gz QHYRPSZPZOLTKV-QHCPKHFHSA-N 1 1 464.010 3.071 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCNC(C)=O ZINC001299907791 1065150495 /nfs/dbraw/zinc/15/04/95/1065150495.db2.gz LZDZCEPTUSZWLM-UHFFFAOYSA-N 1 1 463.026 3.444 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001299909501 1065157957 /nfs/dbraw/zinc/15/79/57/1065157957.db2.gz BRBTTZCZNVFZQH-GOSISDBHSA-N 1 1 477.053 3.106 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCSC(C)C ZINC001299909820 1065158714 /nfs/dbraw/zinc/15/87/14/1065158714.db2.gz DHEIIIFLIDSRCM-QGZVFWFLSA-N 1 1 452.024 3.270 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCSC(C)C ZINC001299909820 1065158723 /nfs/dbraw/zinc/15/87/23/1065158723.db2.gz DHEIIIFLIDSRCM-QGZVFWFLSA-N 1 1 452.024 3.270 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001299913698 1065165315 /nfs/dbraw/zinc/16/53/15/1065165315.db2.gz VMQVSFFPBAIIPE-KNQAVFIVSA-N 1 1 466.051 3.252 20 0 JGADMO COc1cc(N2CCN(c3nnc(C(C)(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CC2)ccc1F ZINC001299923120 1065177386 /nfs/dbraw/zinc/17/73/86/1065177386.db2.gz VNBLLWMZCLCFQP-UHFFFAOYSA-N 1 1 487.668 3.076 20 0 JGADMO COc1cc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)CC2)ccc1F ZINC001299923120 1065177397 /nfs/dbraw/zinc/17/73/97/1065177397.db2.gz VNBLLWMZCLCFQP-UHFFFAOYSA-N 1 1 487.668 3.076 20 0 JGADMO COc1cc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)CC2)ccc1F ZINC001299923120 1065177403 /nfs/dbraw/zinc/17/74/03/1065177403.db2.gz VNBLLWMZCLCFQP-UHFFFAOYSA-N 1 1 487.668 3.076 20 0 JGADMO COc1cc(N2CCN(c3nnc(C(C)C)n3CC3CCN(CC[NH+](C)C)CC3)CC2)ccc1F ZINC001299923476 1065177938 /nfs/dbraw/zinc/17/79/38/1065177938.db2.gz XQJUCGMEFCTSBB-UHFFFAOYSA-N 1 1 487.668 3.149 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CCn3cccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299931857 1065196458 /nfs/dbraw/zinc/19/64/58/1065196458.db2.gz HLYDYSQSVQWGSP-WOJBJXKFSA-N 1 1 467.618 3.416 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCCO2)c1 ZINC001299932254 1065197584 /nfs/dbraw/zinc/19/75/84/1065197584.db2.gz MNSLJLDMNKSUCI-ZVDOUQERSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCCO2)c1 ZINC001299932254 1065197589 /nfs/dbraw/zinc/19/75/89/1065197589.db2.gz MNSLJLDMNKSUCI-ZVDOUQERSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCOC(C)(C)C)c1 ZINC001299932835 1065198507 /nfs/dbraw/zinc/19/85/07/1065198507.db2.gz XMOXZOZDIPCMGB-KDURUIRLSA-N 1 1 475.634 3.323 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCOC(C)(C)C)c1 ZINC001299932835 1065198512 /nfs/dbraw/zinc/19/85/12/1065198512.db2.gz XMOXZOZDIPCMGB-KDURUIRLSA-N 1 1 475.634 3.323 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001299932675 1065198594 /nfs/dbraw/zinc/19/85/94/1065198594.db2.gz SYTOPSFCPGQXEG-QBKLZVOZSA-N 1 1 487.645 3.059 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001299932675 1065198601 /nfs/dbraw/zinc/19/86/01/1065198601.db2.gz SYTOPSFCPGQXEG-QBKLZVOZSA-N 1 1 487.645 3.059 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001299933543 1065200116 /nfs/dbraw/zinc/20/01/16/1065200116.db2.gz FUOMFUWIFAECQW-AVRWGWEMSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299936875 1065204230 /nfs/dbraw/zinc/20/42/30/1065204230.db2.gz CTIMMOMPLUVIRP-WOJBJXKFSA-N 1 1 498.672 3.435 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299936868 1065204273 /nfs/dbraw/zinc/20/42/73/1065204273.db2.gz CTIMMOMPLUVIRP-PMACEKPBSA-N 1 1 498.672 3.435 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299939252 1065208752 /nfs/dbraw/zinc/20/87/52/1065208752.db2.gz PTPFFLPODOMPPA-QYBDOPJKSA-N 1 1 484.645 3.175 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299941779 1065211249 /nfs/dbraw/zinc/21/12/49/1065211249.db2.gz LDDZAZZSHKRCJX-OAQYLSRUSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299941779 1065211261 /nfs/dbraw/zinc/21/12/61/1065211261.db2.gz LDDZAZZSHKRCJX-OAQYLSRUSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001299945301 1065217636 /nfs/dbraw/zinc/21/76/36/1065217636.db2.gz RCHVFCRMGLVKFV-PMACEKPBSA-N 1 1 484.645 3.319 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001299945302 1065217775 /nfs/dbraw/zinc/21/77/75/1065217775.db2.gz RCHVFCRMGLVKFV-UXHICEINSA-N 1 1 484.645 3.319 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](OC)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299946020 1065219641 /nfs/dbraw/zinc/21/96/41/1065219641.db2.gz XHMSMESILVAWGM-ZVDOUQERSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2C[C@H](OC)C(C)C)c1 ZINC001299946720 1065221967 /nfs/dbraw/zinc/22/19/67/1065221967.db2.gz MPIXNXFHLYGRHM-DEOSSOPVSA-N 1 1 497.644 3.079 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299947131 1065223131 /nfs/dbraw/zinc/22/31/31/1065223131.db2.gz ZQFHZJCGIOZJAM-UHFFFAOYSA-N 1 1 484.567 3.377 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001299951169 1065227890 /nfs/dbraw/zinc/22/78/90/1065227890.db2.gz QQJCRHXCPKDXOX-PZJWPPBQSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCCOC(C)C)c1 ZINC001299951614 1065228396 /nfs/dbraw/zinc/22/83/96/1065228396.db2.gz SXBFXRYJIDYTTR-FQEVSTJZSA-N 1 1 487.645 3.467 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299959556 1065240444 /nfs/dbraw/zinc/24/04/44/1065240444.db2.gz TULLJCQHSCJILE-OALUTQOASA-N 1 1 470.618 3.306 20 0 JGADMO COc1cc(OC)cc(N2CCCN(c3nnc(Cc4ccccn4)n3CC[N@@H+](C)C(C)C)CC2)c1 ZINC001299960184 1065241714 /nfs/dbraw/zinc/24/17/14/1065241714.db2.gz PQVMWSPSKOMSBW-UHFFFAOYSA-N 1 1 493.656 3.338 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001299968729 1065253629 /nfs/dbraw/zinc/25/36/29/1065253629.db2.gz JAFPAIGYCZPTHX-IAGOWNOFSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC=CCC3)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001299969314 1065255812 /nfs/dbraw/zinc/25/58/12/1065255812.db2.gz QGEPSDPRILCDRS-KRWDZBQOSA-N 1 1 476.419 3.329 20 0 JGADMO COc1ccc(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001299978225 1065274417 /nfs/dbraw/zinc/27/44/17/1065274417.db2.gz AULZSWAMAPWOSP-UHFFFAOYSA-N 1 1 481.645 3.212 20 0 JGADMO COc1ccc(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001299978225 1065274423 /nfs/dbraw/zinc/27/44/23/1065274423.db2.gz AULZSWAMAPWOSP-UHFFFAOYSA-N 1 1 481.645 3.212 20 0 JGADMO COc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC001299987846 1065290433 /nfs/dbraw/zinc/29/04/33/1065290433.db2.gz HNMUIGIULWBZNZ-RBBKRZOGSA-N 1 1 489.686 3.336 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001299990934 1065295143 /nfs/dbraw/zinc/29/51/43/1065295143.db2.gz PRSMUMJSLCPBPB-QFIPXVFZSA-N 1 1 486.661 3.117 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001299990933 1065295452 /nfs/dbraw/zinc/29/54/52/1065295452.db2.gz PRSMUMJSLCPBPB-JOCHJYFZSA-N 1 1 486.661 3.117 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001299991441 1065296644 /nfs/dbraw/zinc/29/66/44/1065296644.db2.gz VSXVBFOVKANBTR-TZIWHRDSSA-N 1 1 472.609 3.194 20 0 JGADMO COc1ccc(C)cc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001299991496 1065296888 /nfs/dbraw/zinc/29/68/88/1065296888.db2.gz XARXKCPYAPMLFI-QHCPKHFHSA-N 1 1 484.689 3.062 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001299996837 1065306343 /nfs/dbraw/zinc/30/63/43/1065306343.db2.gz QGCYUBYEBPYTPU-NRFANRHFSA-N 1 1 458.676 3.169 20 0 JGADMO Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(=O)n1C ZINC001492201369 1065314952 /nfs/dbraw/zinc/31/49/52/1065314952.db2.gz VXAJUIZKZBOJPT-UHFFFAOYSA-N 1 1 478.641 3.266 20 0 JGADMO Cc1ccc(Cn2c(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001492204038 1065318797 /nfs/dbraw/zinc/31/87/97/1065318797.db2.gz RHQHEMKGMXRGCJ-UHFFFAOYSA-N 1 1 452.647 3.375 20 0 JGADMO Cc1ccc(Cn2c(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001492204038 1065318805 /nfs/dbraw/zinc/31/88/05/1065318805.db2.gz RHQHEMKGMXRGCJ-UHFFFAOYSA-N 1 1 452.647 3.375 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001492238227 1065323708 /nfs/dbraw/zinc/32/37/08/1065323708.db2.gz MVJNAAIQBXLSPM-BGYRXZFFSA-N 1 1 454.619 3.493 20 0 JGADMO Cc1ccc(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001492221883 1065328491 /nfs/dbraw/zinc/32/84/91/1065328491.db2.gz WDJKTHJVLDSNPW-WIOPSUGQSA-N 1 1 457.619 3.242 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCCO2)cc1C ZINC001492240410 1065338616 /nfs/dbraw/zinc/33/86/16/1065338616.db2.gz LCZXMXBWZHTEPP-FUPPJEDESA-N 1 1 484.645 3.262 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCCO2)cc1C ZINC001492240410 1065338624 /nfs/dbraw/zinc/33/86/24/1065338624.db2.gz LCZXMXBWZHTEPP-FUPPJEDESA-N 1 1 484.645 3.262 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001492243987 1065342204 /nfs/dbraw/zinc/34/22/04/1065342204.db2.gz JFBJOTRSMJHVQO-RZUBCFFCSA-N 1 1 454.619 3.086 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCC(C)C)cc1C ZINC001492247299 1065346386 /nfs/dbraw/zinc/34/63/86/1065346386.db2.gz MXIFLVNNGMLLOV-RUZDIDTESA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492273707 1065366813 /nfs/dbraw/zinc/36/68/13/1065366813.db2.gz KSERBCCEWZTOPB-SFHVURJKSA-N 1 1 468.524 3.255 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)C2)nc1 ZINC001492276162 1065370403 /nfs/dbraw/zinc/37/04/03/1065370403.db2.gz NWQSAUNRDIGLEM-FCHUYYIVSA-N 1 1 497.688 3.371 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)nc1 ZINC001492280286 1065373224 /nfs/dbraw/zinc/37/32/24/1065373224.db2.gz FFDQQXMRPPCPTL-GOTSBHOMSA-N 1 1 497.688 3.392 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001492280547 1065373275 /nfs/dbraw/zinc/37/32/75/1065373275.db2.gz HPXYVVBEEVLXBX-FQEVSTJZSA-N 1 1 450.591 3.240 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001492288048 1065381817 /nfs/dbraw/zinc/38/18/17/1065381817.db2.gz VKVXRSLBTHHRKR-NRFANRHFSA-N 1 1 476.629 3.486 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001492310039 1065389239 /nfs/dbraw/zinc/38/92/39/1065389239.db2.gz BYOPMTPJHAWLHY-LEWJYISDSA-N 1 1 477.675 3.155 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492331536 1065401518 /nfs/dbraw/zinc/40/15/18/1065401518.db2.gz ZDQSNYJBKNYWLS-OYRHEFFESA-N 1 1 495.672 3.418 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492331536 1065401525 /nfs/dbraw/zinc/40/15/25/1065401525.db2.gz ZDQSNYJBKNYWLS-OYRHEFFESA-N 1 1 495.672 3.418 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@]2(O)CCC[C@@H]2C)cc1 ZINC001492331043 1065401632 /nfs/dbraw/zinc/40/16/32/1065401632.db2.gz VTEPSBQUJWCYTL-HFZDXXHNSA-N 1 1 471.646 3.264 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@]2(O)CCC[C@@H]2C)cc1 ZINC001492331043 1065401635 /nfs/dbraw/zinc/40/16/35/1065401635.db2.gz VTEPSBQUJWCYTL-HFZDXXHNSA-N 1 1 471.646 3.264 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492339725 1065407565 /nfs/dbraw/zinc/40/75/65/1065407565.db2.gz PLXBRVSPAGMDJB-SIKLNZKXSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CC(=O)N(C)C)cc1 ZINC001492369722 1065430227 /nfs/dbraw/zinc/43/02/27/1065430227.db2.gz APEXNZRCZBVSTR-FCHUYYIVSA-N 1 1 468.646 3.345 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001492372204 1065436554 /nfs/dbraw/zinc/43/65/54/1065436554.db2.gz XHWBEDCHIYXPGU-PXDATVDWSA-N 1 1 457.619 3.016 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001492376608 1065438871 /nfs/dbraw/zinc/43/88/71/1065438871.db2.gz AYFMBZVMJJGDBC-UHFFFAOYSA-N 1 1 477.613 3.018 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001492377866 1065442362 /nfs/dbraw/zinc/44/23/62/1065442362.db2.gz XKTQYUJBAZXJDH-BDTNDASRSA-N 1 1 468.646 3.235 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(=O)NCC2CC2)cc1C ZINC001492378662 1065443074 /nfs/dbraw/zinc/44/30/74/1065443074.db2.gz LTLQOGREUHSOEH-UHFFFAOYSA-N 1 1 468.646 3.311 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001492383650 1065448841 /nfs/dbraw/zinc/44/88/41/1065448841.db2.gz WSGMCAWYYIOBRP-UHFFFAOYSA-N 1 1 480.617 3.001 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001492384840 1065452103 /nfs/dbraw/zinc/45/21/03/1065452103.db2.gz LGGCUKQPHFWKKQ-UUWRZZSWSA-N 1 1 489.686 3.014 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCCS(C)(=O)=O)cc1 ZINC001492386173 1065454657 /nfs/dbraw/zinc/45/46/57/1065454657.db2.gz YTLPRCYRRKIGNZ-UHFFFAOYSA-N 1 1 475.659 3.055 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492392231 1065464488 /nfs/dbraw/zinc/46/44/88/1065464488.db2.gz WMOGYWOKXVPQDE-OYRHEFFESA-N 1 1 492.615 3.052 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001492392756 1065465385 /nfs/dbraw/zinc/46/53/85/1065465385.db2.gz JKZLJYKWKZYWMB-FGZHOGPDSA-N 1 1 471.646 3.324 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492402002 1065471608 /nfs/dbraw/zinc/47/16/08/1065471608.db2.gz NRYHIUZUCBMTNP-RBBKRZOGSA-N 1 1 459.660 3.464 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492402004 1065471674 /nfs/dbraw/zinc/47/16/74/1065471674.db2.gz NRYHIUZUCBMTNP-UNMCSNQZSA-N 1 1 459.660 3.464 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[N@@H+]2CC=CCC2)cc1C ZINC001492402120 1065471719 /nfs/dbraw/zinc/47/17/19/1065471719.db2.gz RTUKWEMQZXNDON-DEOSSOPVSA-N 1 1 469.630 3.366 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSCC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC001492402651 1065472558 /nfs/dbraw/zinc/47/25/58/1065472558.db2.gz VYLUBZVAWRGFNJ-UHFFFAOYSA-N 1 1 472.703 3.301 20 0 JGADMO Cc1ccc(OCc2nnc(Nc3ccn(C)n3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001492409390 1065475162 /nfs/dbraw/zinc/47/51/62/1065475162.db2.gz UPEVXRYFPFRUOX-BGYRXZFFSA-N 1 1 453.591 3.450 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492418305 1065478814 /nfs/dbraw/zinc/47/88/14/1065478814.db2.gz FTYZJVQEONETJI-QFIPXVFZSA-N 1 1 468.646 3.458 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCC(C)(C)O)cc1 ZINC001492452669 1065503558 /nfs/dbraw/zinc/50/35/58/1065503558.db2.gz IKKMXMOSSJSZDT-FPOVZHCZSA-N 1 1 459.660 3.197 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492460055 1065508034 /nfs/dbraw/zinc/50/80/34/1065508034.db2.gz NQJSEKQQJCXYOU-BWKNWUBXSA-N 1 1 473.687 3.444 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001492461706 1065510540 /nfs/dbraw/zinc/51/05/40/1065510540.db2.gz HJYFVDBHPNUYGF-RTBURBONSA-N 1 1 456.660 3.453 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCS(C)(=O)=O)cc1 ZINC001492464071 1065511538 /nfs/dbraw/zinc/51/15/38/1065511538.db2.gz YBMZRSWNUCSEPP-UHFFFAOYSA-N 1 1 477.700 3.378 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC[C@@H]1C ZINC001300800655 1065532910 /nfs/dbraw/zinc/53/29/10/1065532910.db2.gz UHJGZJBILJSKJS-XQBPLPMBSA-N 1 1 489.064 3.455 20 0 JGADMO CO[C@H]1CN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1(C)C ZINC001300812642 1065542955 /nfs/dbraw/zinc/54/29/55/1065542955.db2.gz KTPWJNDENGVUQO-VXKWHMMOSA-N 1 1 468.646 3.057 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)CC1(C)C ZINC001300813203 1065543588 /nfs/dbraw/zinc/54/35/88/1065543588.db2.gz NHGFUBYBJIWJNZ-JOCHJYFZSA-N 1 1 458.626 3.219 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1(C)C ZINC001300818048 1065546307 /nfs/dbraw/zinc/54/63/07/1065546307.db2.gz DCPWCVOXHYWNCO-IPMKNSEASA-N 1 1 461.010 3.047 20 0 JGADMO O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001300822299 1065549503 /nfs/dbraw/zinc/54/95/03/1065549503.db2.gz WFXBOTZYEMDDFP-LADGPHEKSA-N 1 1 455.624 3.374 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC[C@H]1C ZINC001300826020 1065554591 /nfs/dbraw/zinc/55/45/91/1065554591.db2.gz LITMHSGAXZGCQN-UEVCKROQSA-N 1 1 459.610 3.226 20 0 JGADMO CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC001300837185 1065573014 /nfs/dbraw/zinc/57/30/14/1065573014.db2.gz BWXGGQZOONBAME-FPOVZHCZSA-N 1 1 478.037 3.219 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1(C)C ZINC001300837187 1065573188 /nfs/dbraw/zinc/57/31/88/1065573188.db2.gz BWXGGQZOONBAME-TZIWHRDSSA-N 1 1 478.037 3.219 20 0 JGADMO CO[C@@H]1CN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)CC1(C)C ZINC001300840886 1065578924 /nfs/dbraw/zinc/57/89/24/1065578924.db2.gz MPZWENGATFGRCK-XMMPIXPASA-N 1 1 497.732 3.092 20 0 JGADMO CO[C@H]1COCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300855022 1065603200 /nfs/dbraw/zinc/60/32/00/1065603200.db2.gz BOUFRYIFCVMXHW-GMAHTHKFSA-N 1 1 471.646 3.100 20 0 JGADMO COCC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001300891409 1065680999 /nfs/dbraw/zinc/68/09/99/1065680999.db2.gz JOPZVQRXUWXWCI-HXUWFJFHSA-N 1 1 489.064 3.082 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300908425 1065707392 /nfs/dbraw/zinc/70/73/92/1065707392.db2.gz ZCUCTIRFZVXISA-BGYRXZFFSA-N 1 1 460.667 3.035 20 0 JGADMO COCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001300932237 1065732188 /nfs/dbraw/zinc/73/21/88/1065732188.db2.gz RHSDPBLRIYMGOE-HXUWFJFHSA-N 1 1 475.037 3.209 20 0 JGADMO COCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001300942360 1065744523 /nfs/dbraw/zinc/74/45/23/1065744523.db2.gz LQBCTZLMABWQFB-FCHUYYIVSA-N 1 1 457.619 3.048 20 0 JGADMO COCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001300943150 1065745673 /nfs/dbraw/zinc/74/56/73/1065745673.db2.gz SLTUFKFAYQAPBO-IRLDBZIGSA-N 1 1 495.734 3.334 20 0 JGADMO COCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001300945421 1065748290 /nfs/dbraw/zinc/74/82/90/1065748290.db2.gz NJIFAYSJYRAEQG-XUZZJYLKSA-N 1 1 480.661 3.189 20 0 JGADMO COC[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300954209 1065758584 /nfs/dbraw/zinc/75/85/84/1065758584.db2.gz VVRRQSFBVXKJCH-WOJBJXKFSA-N 1 1 485.608 3.286 20 0 JGADMO COC[C@@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001300986785 1065799800 /nfs/dbraw/zinc/79/98/00/1065799800.db2.gz IBVCNOGWOJIWOC-LEWJYISDSA-N 1 1 459.660 3.462 20 0 JGADMO COC[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)OC ZINC001300998673 1065819382 /nfs/dbraw/zinc/81/93/82/1065819382.db2.gz LRMCWQWSGYYULZ-HXUWFJFHSA-N 1 1 491.702 3.484 20 0 JGADMO COC[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)OC ZINC001300998673 1065819391 /nfs/dbraw/zinc/81/93/91/1065819391.db2.gz LRMCWQWSGYYULZ-HXUWFJFHSA-N 1 1 491.702 3.484 20 0 JGADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001301016129 1065850375 /nfs/dbraw/zinc/85/03/75/1065850375.db2.gz HXZDOWYNXCDZDR-VXNXHJTFSA-N 1 1 469.029 3.012 20 0 JGADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001301016129 1065850388 /nfs/dbraw/zinc/85/03/88/1065850388.db2.gz HXZDOWYNXCDZDR-VXNXHJTFSA-N 1 1 469.029 3.012 20 0 JGADMO COC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)OC ZINC001301022321 1065857638 /nfs/dbraw/zinc/85/76/38/1065857638.db2.gz OHDZLVDHCYUAGI-WTIAFYNJSA-N 1 1 473.618 3.073 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301045111 1065891119 /nfs/dbraw/zinc/89/11/19/1065891119.db2.gz QJRDQXRILXRZQC-ZWKOTPCHSA-N 1 1 452.372 3.367 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301048181 1065895474 /nfs/dbraw/zinc/89/54/74/1065895474.db2.gz LHNAZZWHXZJDMV-WMZOPIPTSA-N 1 1 482.000 3.281 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301052352 1065901069 /nfs/dbraw/zinc/90/10/69/1065901069.db2.gz CIBGOIXDHDKFOL-USXIJHARSA-N 1 1 482.398 3.374 20 0 JGADMO COC[C@H](F)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301070150 1065921926 /nfs/dbraw/zinc/92/19/26/1065921926.db2.gz SUAZCPVUSGAVAD-UXHICEINSA-N 1 1 480.629 3.052 20 0 JGADMO COCC1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301078766 1065929008 /nfs/dbraw/zinc/92/90/08/1065929008.db2.gz YIMMVGWGLFSGSM-PMACEKPBSA-N 1 1 469.634 3.299 20 0 JGADMO COCC1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001301078973 1065929127 /nfs/dbraw/zinc/92/91/27/1065929127.db2.gz ZTXMXUMQYUBFBF-QHCPKHFHSA-N 1 1 498.672 3.247 20 0 JGADMO COC[C@@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001301079779 1065929599 /nfs/dbraw/zinc/92/95/99/1065929599.db2.gz XTGCDRBXUXRLQJ-GOTSBHOMSA-N 1 1 469.609 3.225 20 0 JGADMO COCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[N@H+](C(C)C)CC2)CCC1 ZINC001301124846 1065966447 /nfs/dbraw/zinc/96/64/47/1065966447.db2.gz JPPAWSNSJYMBGY-UHFFFAOYSA-N 1 1 475.659 3.086 20 0 JGADMO COCc1cc(Cn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1F ZINC001301152942 1065989266 /nfs/dbraw/zinc/98/92/66/1065989266.db2.gz MQWZKIHISHXTJK-UHFFFAOYSA-N 1 1 470.593 3.164 20 0 JGADMO COCc1cc(Cn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1F ZINC001301152942 1065989281 /nfs/dbraw/zinc/98/92/81/1065989281.db2.gz MQWZKIHISHXTJK-UHFFFAOYSA-N 1 1 470.593 3.164 20 0 JGADMO COCC1=CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001301180938 1066011674 /nfs/dbraw/zinc/01/16/74/1066011674.db2.gz NEIOHYRQKIONKW-UHFFFAOYSA-N 1 1 484.004 3.240 20 0 JGADMO COCC1=CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001301195715 1066022380 /nfs/dbraw/zinc/02/23/80/1066022380.db2.gz YFLNFTFKCNQEST-UHFFFAOYSA-N 1 1 460.022 3.416 20 0 JGADMO COCC1=CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001301199234 1066025168 /nfs/dbraw/zinc/02/51/68/1066025168.db2.gz IMKWLFCCQCEAPC-QFIPXVFZSA-N 1 1 469.630 3.225 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301237924 1066055418 /nfs/dbraw/zinc/05/54/18/1066055418.db2.gz DPZOUAWQSOLQSO-HXUWFJFHSA-N 1 1 457.619 3.317 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301237924 1066055429 /nfs/dbraw/zinc/05/54/29/1066055429.db2.gz DPZOUAWQSOLQSO-HXUWFJFHSA-N 1 1 457.619 3.317 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001301240057 1066058094 /nfs/dbraw/zinc/05/80/94/1066058094.db2.gz ORWWYQORKDXWPY-IFMALSPDSA-N 1 1 457.619 3.053 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301244388 1066060645 /nfs/dbraw/zinc/06/06/45/1066060645.db2.gz KDOUIYRYEMFSBM-MBDNFAEBSA-N 1 1 495.734 3.190 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(C3CCCC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301247206 1066064145 /nfs/dbraw/zinc/06/41/45/1066064145.db2.gz ZHXCVOWDBVKCQE-IFMALSPDSA-N 1 1 460.667 3.131 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301247503 1066064639 /nfs/dbraw/zinc/06/46/39/1066064639.db2.gz GVRMYAASOCHGJC-OAQYLSRUSA-N 1 1 459.610 3.372 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301247503 1066064648 /nfs/dbraw/zinc/06/46/48/1066064648.db2.gz GVRMYAASOCHGJC-OAQYLSRUSA-N 1 1 459.610 3.372 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301249165 1066066267 /nfs/dbraw/zinc/06/62/67/1066066267.db2.gz UGYOTVICMNGFKK-FUPPJEDESA-N 1 1 470.662 3.405 20 0 JGADMO COC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001301260571 1066074885 /nfs/dbraw/zinc/07/48/85/1066074885.db2.gz BNDZZIOGGDPUAM-NJDAHSKKSA-N 1 1 475.609 3.388 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301260667 1066075557 /nfs/dbraw/zinc/07/55/57/1066075557.db2.gz DEHQUMFCSCNASF-SIKLNZKXSA-N 1 1 489.064 3.404 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001301262816 1066077885 /nfs/dbraw/zinc/07/78/85/1066077885.db2.gz IVSFEYPBOOFHOR-NHCUHLMSSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001301262816 1066077895 /nfs/dbraw/zinc/07/78/95/1066077895.db2.gz IVSFEYPBOOFHOR-NHCUHLMSSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001301262811 1066078164 /nfs/dbraw/zinc/07/81/64/1066078164.db2.gz IVSFEYPBOOFHOR-LEWJYISDSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001301262811 1066078174 /nfs/dbraw/zinc/07/81/74/1066078174.db2.gz IVSFEYPBOOFHOR-LEWJYISDSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001301264715 1066080340 /nfs/dbraw/zinc/08/03/40/1066080340.db2.gz GVKJAWFNAMTJJN-IRXDYDNUSA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001301264715 1066080348 /nfs/dbraw/zinc/08/03/48/1066080348.db2.gz GVKJAWFNAMTJJN-IRXDYDNUSA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301265607 1066081298 /nfs/dbraw/zinc/08/12/98/1066081298.db2.gz LHMUERURAGTXDI-IBGZPJMESA-N 1 1 491.080 3.496 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301265607 1066081303 /nfs/dbraw/zinc/08/13/03/1066081303.db2.gz LHMUERURAGTXDI-IBGZPJMESA-N 1 1 491.080 3.496 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301265607 1066081313 /nfs/dbraw/zinc/08/13/13/1066081313.db2.gz LHMUERURAGTXDI-IBGZPJMESA-N 1 1 491.080 3.496 20 0 JGADMO COC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001301282485 1066090566 /nfs/dbraw/zinc/09/05/66/1066090566.db2.gz MFVJUQPCKBHQRB-GOTSBHOMSA-N 1 1 457.667 3.371 20 0 JGADMO COC[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301341731 1066131742 /nfs/dbraw/zinc/13/17/42/1066131742.db2.gz JZTIUYBTTIXNQB-BHIFYINESA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC001301345545 1066137035 /nfs/dbraw/zinc/13/70/35/1066137035.db2.gz HLBTULMNMOLSIV-NFBKMPQASA-N 1 1 495.628 3.373 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301356764 1066146122 /nfs/dbraw/zinc/14/61/22/1066146122.db2.gz HNOQCATXEKIYNO-HKUYNNGSSA-N 1 1 495.466 3.399 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001301360462 1066153285 /nfs/dbraw/zinc/15/32/85/1066153285.db2.gz KWAGHBVITHQYLQ-QTEQDKRBSA-N 1 1 471.646 3.203 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001301360462 1066153288 /nfs/dbraw/zinc/15/32/88/1066153288.db2.gz KWAGHBVITHQYLQ-QTEQDKRBSA-N 1 1 471.646 3.203 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301361037 1066154736 /nfs/dbraw/zinc/15/47/36/1066154736.db2.gz VBEWVGNWENCTPA-RYRKJORJSA-N 1 1 481.439 3.008 20 0 JGADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)C2)ccn1 ZINC001301364675 1066159971 /nfs/dbraw/zinc/15/99/71/1066159971.db2.gz UZCARISZCSBGSC-DKSSEZFCSA-N 1 1 466.508 3.331 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001301368687 1066163130 /nfs/dbraw/zinc/16/31/30/1066163130.db2.gz KGMPPDHMDRJGLD-AEFFLSMTSA-N 1 1 482.000 3.089 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC001301369879 1066164453 /nfs/dbraw/zinc/16/44/53/1066164453.db2.gz USBSSFHQROJKBK-FQEVSTJZSA-N 1 1 474.968 3.116 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301373643 1066167462 /nfs/dbraw/zinc/16/74/62/1066167462.db2.gz ITZURRFFJZICJU-MZKRTTBSSA-N 1 1 457.619 3.173 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC001301377127 1066170655 /nfs/dbraw/zinc/17/06/55/1066170655.db2.gz WUNYAVHPVGFGOK-ICSRJNTNSA-N 1 1 454.575 3.179 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC001301377535 1066171106 /nfs/dbraw/zinc/17/11/06/1066171106.db2.gz ZNGVMOJJCQGIQB-CTNGQTDRSA-N 1 1 487.645 3.324 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H](C)O1 ZINC001301389038 1066174943 /nfs/dbraw/zinc/17/49/43/1066174943.db2.gz YCGMLRAZUAMHGM-AWWSKVOZSA-N 1 1 459.610 3.369 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC001301396075 1066177256 /nfs/dbraw/zinc/17/72/56/1066177256.db2.gz HICMTQXMWYRZHO-GHTZIAJQSA-N 1 1 456.566 3.233 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001301396559 1066177702 /nfs/dbraw/zinc/17/77/02/1066177702.db2.gz LJWIEIXUOPVUEZ-UNMCSNQZSA-N 1 1 471.646 3.240 20 0 JGADMO COC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001301398364 1066179469 /nfs/dbraw/zinc/17/94/69/1066179469.db2.gz CYLYXQQLUIXNEI-AVRDEDQJSA-N 1 1 473.618 3.442 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301405072 1066187457 /nfs/dbraw/zinc/18/74/57/1066187457.db2.gz IKCSEIBZYWPBLO-UCFCWBNQSA-N 1 1 471.646 3.446 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001301410055 1066196602 /nfs/dbraw/zinc/19/66/02/1066196602.db2.gz PKZDXZTWVXFKBN-GHTZIAJQSA-N 1 1 464.010 3.094 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301427513 1066223595 /nfs/dbraw/zinc/22/35/95/1066223595.db2.gz VJEDYYRXFFAOBF-FQEVSTJZSA-N 1 1 456.635 3.401 20 0 JGADMO COCCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001301431554 1066229879 /nfs/dbraw/zinc/22/98/79/1066229879.db2.gz IHMRPZGIQAHMLO-UGKGYDQZSA-N 1 1 475.609 3.216 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C(C)(C)C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001301948163 1066241238 /nfs/dbraw/zinc/24/12/38/1066241238.db2.gz FAISOHOFCGPRHH-LJQANCHMSA-N 1 1 476.691 3.281 20 0 JGADMO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000747096441 1066248863 /nfs/dbraw/zinc/24/88/63/1066248863.db2.gz YDVFIYJMVOJYFX-AEFFLSMTSA-N 1 1 459.509 3.092 20 0 JGADMO COCC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001301448020 1066260878 /nfs/dbraw/zinc/26/08/78/1066260878.db2.gz DZIVOXBNTXMXOP-CHZKFRDHSA-N 1 1 487.645 3.199 20 0 JGADMO COCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301459419 1066278829 /nfs/dbraw/zinc/27/88/29/1066278829.db2.gz KNSZHQAEFSVTFF-LVXARBLLSA-N 1 1 455.647 3.161 20 0 JGADMO COCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301459421 1066279020 /nfs/dbraw/zinc/27/90/20/1066279020.db2.gz KNSZHQAEFSVTFF-RLWLMLJZSA-N 1 1 455.647 3.161 20 0 JGADMO COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001301460546 1066281630 /nfs/dbraw/zinc/28/16/30/1066281630.db2.gz VKQNISNIJHNEQJ-HNVPCBRESA-N 1 1 487.693 3.018 20 0 JGADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@H+]1CC=CCC1 ZINC001301985788 1066297969 /nfs/dbraw/zinc/29/79/69/1066297969.db2.gz BYNFAOIPCZVMEH-OALUTQOASA-N 1 1 468.627 3.013 20 0 JGADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+]1CC=CCC1 ZINC001301985788 1066297981 /nfs/dbraw/zinc/29/79/81/1066297981.db2.gz BYNFAOIPCZVMEH-OALUTQOASA-N 1 1 468.627 3.013 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001301986243 1066298907 /nfs/dbraw/zinc/29/89/07/1066298907.db2.gz DCSPBOQDNDUDPZ-UWVAXJGDSA-N 1 1 465.639 3.462 20 0 JGADMO COCCC1(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CCCC1 ZINC001301480142 1066301447 /nfs/dbraw/zinc/30/14/47/1066301447.db2.gz KMMKBRJCBIWHEV-VWNXMTODSA-N 1 1 488.721 3.452 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001301988499 1066304531 /nfs/dbraw/zinc/30/45/31/1066304531.db2.gz LZFTUNXHYKSNEX-XHSDSOJGSA-N 1 1 454.040 3.339 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001301989301 1066306790 /nfs/dbraw/zinc/30/67/90/1066306790.db2.gz KBFUFRCKAMTYRC-KZNAEPCWSA-N 1 1 472.565 3.297 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001301991562 1066311806 /nfs/dbraw/zinc/31/18/06/1066311806.db2.gz OABZKBCUVMVOBG-SVFBPWRDSA-N 1 1 469.696 3.432 20 0 JGADMO COCCc1noc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001301496290 1066322180 /nfs/dbraw/zinc/32/21/80/1066322180.db2.gz MAGIYYHDUINFLQ-GOSISDBHSA-N 1 1 468.606 3.059 20 0 JGADMO COCCc1noc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001301496465 1066322467 /nfs/dbraw/zinc/32/24/67/1066322467.db2.gz QJAKGQZYEAFEHX-IBGZPJMESA-N 1 1 497.644 3.172 20 0 JGADMO COCCc1noc(CN(C)c2nnc(-c3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001301496796 1066322920 /nfs/dbraw/zinc/32/29/20/1066322920.db2.gz WOKPOEUUOWAUSH-RBUKOAKNSA-N 1 1 453.591 3.274 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001301997559 1066327319 /nfs/dbraw/zinc/32/73/19/1066327319.db2.gz DKGFOBOGNLDDCH-KJJMTIBFSA-N 1 1 457.619 3.451 20 0 JGADMO COCC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001301503433 1066329119 /nfs/dbraw/zinc/32/91/19/1066329119.db2.gz LYWBDBFJUOJEMZ-OAQYLSRUSA-N 1 1 455.651 3.046 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301504386 1066331101 /nfs/dbraw/zinc/33/11/01/1066331101.db2.gz AOSHMFKXFBDNOA-MSOLQXFVSA-N 1 1 465.545 3.130 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001301999399 1066331091 /nfs/dbraw/zinc/33/10/91/1066331091.db2.gz CGDCGWNBCBBODE-ZRCGQRJVSA-N 1 1 473.687 3.338 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001301999399 1066331111 /nfs/dbraw/zinc/33/11/11/1066331111.db2.gz CGDCGWNBCBBODE-ZRCGQRJVSA-N 1 1 473.687 3.338 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC=CCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301999602 1066331761 /nfs/dbraw/zinc/33/17/61/1066331761.db2.gz HESRVTALTDNJRA-GMAHTHKFSA-N 1 1 455.603 3.060 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302003154 1066338661 /nfs/dbraw/zinc/33/86/61/1066338661.db2.gz ZFUJTUXLCMTUHS-JFIYKMOQSA-N 1 1 483.535 3.464 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302003155 1066338819 /nfs/dbraw/zinc/33/88/19/1066338819.db2.gz ZFUJTUXLCMTUHS-JZXOWHBKSA-N 1 1 483.535 3.464 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301513291 1066341053 /nfs/dbraw/zinc/34/10/53/1066341053.db2.gz YCPFHFKDEGSRLC-JTHBVZDNSA-N 1 1 468.646 3.059 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302007735 1066349729 /nfs/dbraw/zinc/34/97/29/1066349729.db2.gz KJHOGCRHTAOADK-HZPDHXFCSA-N 1 1 456.513 3.240 20 0 JGADMO COCCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001301525302 1066352327 /nfs/dbraw/zinc/35/23/27/1066352327.db2.gz INKMXOGOINXQRY-QGZVFWFLSA-N 1 1 482.398 3.184 20 0 JGADMO COCCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001301525302 1066352344 /nfs/dbraw/zinc/35/23/44/1066352344.db2.gz INKMXOGOINXQRY-QGZVFWFLSA-N 1 1 482.398 3.184 20 0 JGADMO COCCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001301526651 1066353362 /nfs/dbraw/zinc/35/33/62/1066353362.db2.gz PPTZFINALKAZIS-GOSISDBHSA-N 1 1 494.434 3.054 20 0 JGADMO COCCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001301526651 1066353375 /nfs/dbraw/zinc/35/33/75/1066353375.db2.gz PPTZFINALKAZIS-GOSISDBHSA-N 1 1 494.434 3.054 20 0 JGADMO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001302013529 1066358695 /nfs/dbraw/zinc/35/86/95/1066358695.db2.gz CTAKVOYTNLQSFA-JOCHJYFZSA-N 1 1 474.694 3.112 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(C)=C(Br)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302016409 1066364118 /nfs/dbraw/zinc/36/41/18/1066364118.db2.gz WHGNUJPJONKAEQ-IRXDYDNUSA-N 1 1 479.423 3.340 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001302016408 1066364309 /nfs/dbraw/zinc/36/43/09/1066364309.db2.gz WHGNUJPJONKAEQ-IAGOWNOFSA-N 1 1 479.423 3.340 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)c1cccs1 ZINC001302017439 1066367970 /nfs/dbraw/zinc/36/79/70/1066367970.db2.gz YYUPRJRPRWWGEW-CYFREDJKSA-N 1 1 477.675 3.342 20 0 JGADMO CC(C)(C)C(=O)NCCn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001302021259 1066374499 /nfs/dbraw/zinc/37/44/99/1066374499.db2.gz ZAFDPWMVZFTUMD-QFIPXVFZSA-N 1 1 452.647 3.290 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302023456 1066378869 /nfs/dbraw/zinc/37/88/69/1066378869.db2.gz IKGUZZFHSVWTMW-ADYITMSISA-N 1 1 463.667 3.375 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1c(C)coc1C ZINC001302024581 1066381836 /nfs/dbraw/zinc/38/18/36/1066381836.db2.gz NJIGFZRQTPLSQD-QFIPXVFZSA-N 1 1 488.677 3.255 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001302027346 1066389266 /nfs/dbraw/zinc/38/92/66/1066389266.db2.gz IVYNJCLEZWCQPB-HYBUGGRVSA-N 1 1 490.693 3.246 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001302029826 1066394075 /nfs/dbraw/zinc/39/40/75/1066394075.db2.gz UOQBHBISSPDCMI-VVZHRXSXSA-N 1 1 471.646 3.140 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302040537 1066413490 /nfs/dbraw/zinc/41/34/90/1066413490.db2.gz BVDZYKVPMDHEKF-RTBURBONSA-N 1 1 478.037 3.187 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302042883 1066420699 /nfs/dbraw/zinc/42/06/99/1066420699.db2.gz RQGSWRXDLYOXHN-HSALFYBXSA-N 1 1 475.609 3.233 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302043532 1066422615 /nfs/dbraw/zinc/42/26/15/1066422615.db2.gz PMHLSPUIZKBIIE-OALUTQOASA-N 1 1 478.037 3.187 20 0 JGADMO COCCCN(C)c1nnc(-c2cccn2C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001301590103 1066427903 /nfs/dbraw/zinc/42/79/03/1066427903.db2.gz DQHIOKBEVYUQKS-HSZRJFAPSA-N 1 1 452.603 3.138 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302050636 1066435860 /nfs/dbraw/zinc/43/58/60/1066435860.db2.gz ANVJGGHDBJHZBJ-NZQKXSOJSA-N 1 1 471.646 3.243 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302051957 1066438717 /nfs/dbraw/zinc/43/87/17/1066438717.db2.gz ALVJCBPHCPQSEI-NRSPTQNISA-N 1 1 489.665 3.273 20 0 JGADMO CC(C)(C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001302054315 1066446434 /nfs/dbraw/zinc/44/64/34/1066446434.db2.gz PIEZUISNKXLSBC-AWEZNQCLSA-N 1 1 458.554 3.258 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC1(O)CCCC1 ZINC001302054570 1066447924 /nfs/dbraw/zinc/44/79/24/1066447924.db2.gz MOULKCOJIWAXPR-VSKRKVRLSA-N 1 1 463.667 3.398 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001301606208 1066451753 /nfs/dbraw/zinc/45/17/53/1066451753.db2.gz BJUCUCCUQOCMBW-IRXDYDNUSA-N 1 1 466.424 3.290 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001301606733 1066452477 /nfs/dbraw/zinc/45/24/77/1066452477.db2.gz CZDSQISTSRHZOY-SFHVURJKSA-N 1 1 474.997 3.037 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001301606801 1066452538 /nfs/dbraw/zinc/45/25/38/1066452538.db2.gz GVDWUTWKFBPQPB-UHFFFAOYSA-N 1 1 481.016 3.125 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001301607045 1066452969 /nfs/dbraw/zinc/45/29/69/1066452969.db2.gz HZKCMBWSWUFYFB-UHFFFAOYSA-N 1 1 482.673 3.388 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001301607696 1066454375 /nfs/dbraw/zinc/45/43/75/1066454375.db2.gz OSJYYZQEUHROCE-LJQANCHMSA-N 1 1 478.037 3.341 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001301610947 1066458752 /nfs/dbraw/zinc/45/87/52/1066458752.db2.gz ZQWPSDITKGMBOH-HXUWFJFHSA-N 1 1 472.634 3.359 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCCC3(CCCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302064633 1066463872 /nfs/dbraw/zinc/46/38/72/1066463872.db2.gz DIGBLXNJGJMTGU-NRFANRHFSA-N 1 1 462.683 3.189 20 0 JGADMO COCCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001301614141 1066463805 /nfs/dbraw/zinc/46/38/05/1066463805.db2.gz VKRMJNKUFFLEOJ-UHFFFAOYSA-N 1 1 470.662 3.188 20 0 JGADMO COCCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001301613818 1066463903 /nfs/dbraw/zinc/46/39/03/1066463903.db2.gz RLPHIMGTXRRUCU-UHFFFAOYSA-N 1 1 464.605 3.440 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001301613790 1066463962 /nfs/dbraw/zinc/46/39/62/1066463962.db2.gz RCSGEXSLYDWYSO-OAQYLSRUSA-N 1 1 494.681 3.324 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001301614194 1066464465 /nfs/dbraw/zinc/46/44/65/1066464465.db2.gz WJWHQXFLPXWZCQ-IRLDBZIGSA-N 1 1 478.037 3.372 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001301614192 1066464533 /nfs/dbraw/zinc/46/45/33/1066464533.db2.gz WJQLUFAYZWKPOB-UHFFFAOYSA-N 1 1 468.646 3.257 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001301617520 1066468699 /nfs/dbraw/zinc/46/86/99/1066468699.db2.gz JQLJCUSRDBCTIH-GHTZIAJQSA-N 1 1 494.562 3.405 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001302066822 1066468739 /nfs/dbraw/zinc/46/87/39/1066468739.db2.gz GRWPSJCHFIBQTE-DNRQZRRGSA-N 1 1 479.666 3.041 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)c1ncc(C)s1 ZINC001302067383 1066470183 /nfs/dbraw/zinc/47/01/83/1066470183.db2.gz IIXPPYQBSCNNSP-HKUYNNGSSA-N 1 1 450.653 3.491 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302071693 1066480635 /nfs/dbraw/zinc/48/06/35/1066480635.db2.gz PHYHXBGSEXQCPI-LEWJYISDSA-N 1 1 492.709 3.207 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1Cc1nccs1 ZINC001302074166 1066486400 /nfs/dbraw/zinc/48/64/00/1066486400.db2.gz ZNXUKVNLPKDEGO-LJQANCHMSA-N 1 1 456.616 3.219 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302075149 1066487191 /nfs/dbraw/zinc/48/71/91/1066487191.db2.gz ILAUOIZVVKPQRI-PMACEKPBSA-N 1 1 474.625 3.394 20 0 JGADMO CC(=O)c1ccc(N2CCN(c3nnc(-c4cccn4C)n3CC[N@H+](C)C(C)C)CC2)c(F)c1 ZINC001301628336 1066487390 /nfs/dbraw/zinc/48/73/90/1066487390.db2.gz RUBNZRXTBABMNZ-UHFFFAOYSA-N 1 1 467.593 3.292 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001302077770 1066489998 /nfs/dbraw/zinc/48/99/98/1066489998.db2.gz CLDMZAAZURPLAQ-SBHAEUEKSA-N 1 1 461.632 3.292 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301631792 1066493344 /nfs/dbraw/zinc/49/33/44/1066493344.db2.gz WNKHFWQDIODWML-RTBURBONSA-N 1 1 472.609 3.489 20 0 JGADMO COCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001301633127 1066494970 /nfs/dbraw/zinc/49/49/70/1066494970.db2.gz QMKZSXWELNLWLD-KDURUIRLSA-N 1 1 462.042 3.025 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302080270 1066495892 /nfs/dbraw/zinc/49/58/92/1066495892.db2.gz RQTAEAOURGMFIF-UHFFFAOYSA-N 1 1 493.578 3.172 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302080270 1066495901 /nfs/dbraw/zinc/49/59/01/1066495901.db2.gz RQTAEAOURGMFIF-UHFFFAOYSA-N 1 1 493.578 3.172 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001302080413 1066496591 /nfs/dbraw/zinc/49/65/91/1066496591.db2.gz PDJYQYGDQYSXOB-LEWJYISDSA-N 1 1 450.672 3.043 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302080413 1066496601 /nfs/dbraw/zinc/49/66/01/1066496601.db2.gz PDJYQYGDQYSXOB-LEWJYISDSA-N 1 1 450.672 3.043 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cc(F)ccc1F ZINC001302080769 1066497851 /nfs/dbraw/zinc/49/78/51/1066497851.db2.gz YEUSPHFJFIUGLO-UHFFFAOYSA-N 1 1 460.573 3.037 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cc(F)ccc1F ZINC001302080769 1066497853 /nfs/dbraw/zinc/49/78/53/1066497853.db2.gz YEUSPHFJFIUGLO-UHFFFAOYSA-N 1 1 460.573 3.037 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CC[N@H+](C)C(C)C)C1 ZINC001301648056 1066512581 /nfs/dbraw/zinc/51/25/81/1066512581.db2.gz LJMUDRMTUFBVKN-OAQYLSRUSA-N 1 1 463.630 3.447 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1Cc1nc(C)cs1 ZINC001302088778 1066514970 /nfs/dbraw/zinc/51/49/70/1066514970.db2.gz HFONPZCVQSEICL-KRWDZBQOSA-N 1 1 462.645 3.199 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@]1(O)CCC[C@@H]1C ZINC001302089172 1066515744 /nfs/dbraw/zinc/51/57/44/1066515744.db2.gz LGKZNGLUSVWRLO-BTKWVRSESA-N 1 1 471.646 3.264 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001301650979 1066517732 /nfs/dbraw/zinc/51/77/32/1066517732.db2.gz FQUOLMQBWDXLDM-QFIPXVFZSA-N 1 1 482.673 3.270 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC1(O)CCCCCC1 ZINC001302091639 1066519606 /nfs/dbraw/zinc/51/96/06/1066519606.db2.gz FVTPSAOPKSHRNR-NHCUHLMSSA-N 1 1 463.667 3.398 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001302092127 1066520623 /nfs/dbraw/zinc/52/06/23/1066520623.db2.gz PAKBBWSFZRMQRA-QZTJIDSGSA-N 1 1 462.664 3.479 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(OC)cc1 ZINC001302093346 1066521099 /nfs/dbraw/zinc/52/10/99/1066521099.db2.gz MNYIPHXUTHEFIW-VQTJNVASSA-N 1 1 457.619 3.370 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001302094159 1066522467 /nfs/dbraw/zinc/52/24/67/1066522467.db2.gz YQJISOWHVCIOFB-SFHLNBCPSA-N 1 1 461.582 3.283 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301663139 1066535689 /nfs/dbraw/zinc/53/56/89/1066535689.db2.gz ICMBPIMXGMBPKK-QUCCMNQESA-N 1 1 474.600 3.184 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302107856 1066543878 /nfs/dbraw/zinc/54/38/78/1066543878.db2.gz MSPGQRFYJFOTGP-KCZVDYSFSA-N 1 1 461.607 3.293 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302108994 1066546471 /nfs/dbraw/zinc/54/64/71/1066546471.db2.gz SDHQNNNQBONCPN-JQVVWYNYSA-N 1 1 461.582 3.203 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302110602 1066549687 /nfs/dbraw/zinc/54/96/87/1066549687.db2.gz FOJAEDZCESNEBI-HBMCJLEFSA-N 1 1 489.686 3.213 20 0 JGADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001301681295 1066564166 /nfs/dbraw/zinc/56/41/66/1066564166.db2.gz LTIIZWBQAJFSIM-ZHRRBRCNSA-N 1 1 452.521 3.261 20 0 JGADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 ZINC001301681915 1066564569 /nfs/dbraw/zinc/56/45/69/1066564569.db2.gz RTBUXXSQXRXKKQ-RUZDIDTESA-N 1 1 457.615 3.404 20 0 JGADMO COCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001301684629 1066568183 /nfs/dbraw/zinc/56/81/83/1066568183.db2.gz MBQMIBNVSXLJFC-MRXNPFEDSA-N 1 1 453.429 3.486 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001302126120 1066569397 /nfs/dbraw/zinc/56/93/97/1066569397.db2.gz RHXGUZNRRQZSNC-SFTDATJTSA-N 1 1 459.587 3.146 20 0 JGADMO COCCOc1ccc(Cn2c(C(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1 ZINC001302130087 1066573894 /nfs/dbraw/zinc/57/38/94/1066573894.db2.gz MFIHFXRKOUMPMG-UHFFFAOYSA-N 1 1 484.689 3.470 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001302135250 1066580907 /nfs/dbraw/zinc/58/09/07/1066580907.db2.gz FTQYOBPUCITIML-LVXARBLLSA-N 1 1 455.647 3.323 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302135926 1066582156 /nfs/dbraw/zinc/58/21/56/1066582156.db2.gz NROWTUJTSJHZJT-QGZVFWFLSA-N 1 1 481.567 3.077 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302141264 1066589374 /nfs/dbraw/zinc/58/93/74/1066589374.db2.gz KXLDKNUDXCFNHZ-VQTJNVASSA-N 1 1 478.682 3.207 20 0 JGADMO COCCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001302142370 1066591511 /nfs/dbraw/zinc/59/15/11/1066591511.db2.gz UFUAZPHVGHPSIS-RBBKRZOGSA-N 1 1 471.646 3.097 20 0 JGADMO COCCN(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001301706538 1066596196 /nfs/dbraw/zinc/59/61/96/1066596196.db2.gz LPBKJXFJDDQSBZ-IBGZPJMESA-N 1 1 455.628 3.282 20 0 JGADMO COCCN(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001301706538 1066596208 /nfs/dbraw/zinc/59/62/08/1066596208.db2.gz LPBKJXFJDDQSBZ-IBGZPJMESA-N 1 1 455.628 3.282 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3ccccc3)C[C@@H]2C)CC1 ZINC001301707658 1066598171 /nfs/dbraw/zinc/59/81/71/1066598171.db2.gz DZDPSWSYWCDFDB-SGIRGMQISA-N 1 1 482.673 3.323 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCCOC(C)C)C[C@H]2C)CC1 ZINC001301707566 1066598512 /nfs/dbraw/zinc/59/85/12/1066598512.db2.gz CYRYSGXHTZQOEZ-GGAORHGYSA-N 1 1 476.710 3.451 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)C[C@@H]2C)CC1 ZINC001301708192 1066599451 /nfs/dbraw/zinc/59/94/51/1066599451.db2.gz JIXVPIISZWBDJJ-NZQKXSOJSA-N 1 1 469.678 3.489 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)N(C)c3ccccc3)C[C@H]2C)CC1 ZINC001301708335 1066600513 /nfs/dbraw/zinc/60/05/13/1066600513.db2.gz LRIMZIFRAKPRAY-OTNCWRBYSA-N 1 1 481.689 3.305 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CCc3ccsc3)C[C@H]2C)CC1 ZINC001301708485 1066601295 /nfs/dbraw/zinc/60/12/95/1066601295.db2.gz NVIQPGGEOQJHKF-DENIHFKCSA-N 1 1 458.676 3.160 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301708522 1066601321 /nfs/dbraw/zinc/60/13/21/1066601321.db2.gz OLOBEHRLVQDUTA-DFQSSKMNSA-N 1 1 486.583 3.241 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301708525 1066602076 /nfs/dbraw/zinc/60/20/76/1066602076.db2.gz OLOBEHRLVQDUTA-SXLOBPIMSA-N 1 1 486.583 3.241 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC4CCCC4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001301709648 1066603562 /nfs/dbraw/zinc/60/35/62/1066603562.db2.gz VPAAXHVZKARLPO-NFBKMPQASA-N 1 1 474.694 3.205 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCc3sc(C)nc3C)C[C@@H]2C)CC1 ZINC001301710317 1066604826 /nfs/dbraw/zinc/60/48/26/1066604826.db2.gz YLLWATXYWQTZRB-LAUBAEHRSA-N 1 1 473.691 3.096 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001301712183 1066607965 /nfs/dbraw/zinc/60/79/65/1066607965.db2.gz AUZULZNKEZLXHI-UHFFFAOYSA-N 1 1 482.629 3.354 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001301713288 1066611022 /nfs/dbraw/zinc/61/10/22/1066611022.db2.gz KGWCFGBNYAARAB-DENIHFKCSA-N 1 1 475.659 3.086 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001301713387 1066612473 /nfs/dbraw/zinc/61/24/73/1066612473.db2.gz LBSWGGPKITXPPL-UNMCSNQZSA-N 1 1 489.686 3.333 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)[C@H](C)C1 ZINC001301713650 1066612809 /nfs/dbraw/zinc/61/28/09/1066612809.db2.gz HZYSWBAEVGVVER-KSZLIROESA-N 1 1 458.582 3.097 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001301713727 1066613634 /nfs/dbraw/zinc/61/36/34/1066613634.db2.gz NOHIXCXUHDMARG-HOTGVXAUSA-N 1 1 485.496 3.345 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001301713730 1066613730 /nfs/dbraw/zinc/61/37/30/1066613730.db2.gz NOPRBNREFAKTMX-UHFFFAOYSA-N 1 1 479.025 3.084 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccccn2)CC1 ZINC001301717255 1066619272 /nfs/dbraw/zinc/61/92/72/1066619272.db2.gz PDBFYFAUTYBXDZ-UHFFFAOYSA-N 1 1 470.021 3.288 20 0 JGADMO COCC[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301718508 1066620891 /nfs/dbraw/zinc/62/08/91/1066620891.db2.gz GPPHBTWQVRHANG-LJQANCHMSA-N 1 1 466.671 3.329 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001301720190 1066621854 /nfs/dbraw/zinc/62/18/54/1066621854.db2.gz BCPHNVAETINPOT-IBGZPJMESA-N 1 1 492.690 3.344 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001301719745 1066621934 /nfs/dbraw/zinc/62/19/34/1066621934.db2.gz WGTTXAAUEMLBDF-XZOQPEGZSA-N 1 1 457.619 3.108 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001301720180 1066621968 /nfs/dbraw/zinc/62/19/68/1066621968.db2.gz ANYBEKMFHOKZML-FGZHOGPDSA-N 1 1 493.693 3.287 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CC=CCC2)[C@H](C)C1 ZINC001301720810 1066624243 /nfs/dbraw/zinc/62/42/43/1066624243.db2.gz HBJWFWJMXAMQAC-MRXNPFEDSA-N 1 1 491.409 3.166 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CC=CCC2)[C@@H](C)C1 ZINC001301720809 1066624334 /nfs/dbraw/zinc/62/43/34/1066624334.db2.gz HBJWFWJMXAMQAC-INIZCTEOSA-N 1 1 491.409 3.166 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301720745 1066624373 /nfs/dbraw/zinc/62/43/73/1066624373.db2.gz CLIOCYKFFYFBCU-AGQFNQOXSA-N 1 1 478.037 3.247 20 0 JGADMO COCC[N@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001301720994 1066625605 /nfs/dbraw/zinc/62/56/05/1066625605.db2.gz DQWWJPLTZBYBTC-OAHLLOKOSA-N 1 1 498.074 3.015 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001301720994 1066625612 /nfs/dbraw/zinc/62/56/12/1066625612.db2.gz DQWWJPLTZBYBTC-OAHLLOKOSA-N 1 1 498.074 3.015 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)[C@@H](C)C1 ZINC001301721534 1066626863 /nfs/dbraw/zinc/62/68/63/1066626863.db2.gz LAGMMRXZZVTYKK-FXAWDEMLSA-N 1 1 493.027 3.032 20 0 JGADMO COCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001301721650 1066627617 /nfs/dbraw/zinc/62/76/17/1066627617.db2.gz MLPLFMDUXBVCDV-UHFFFAOYSA-N 1 1 480.535 3.424 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2csc(C)n2)nnc1N1CCC(C)=C(Br)C1 ZINC001301722281 1066630254 /nfs/dbraw/zinc/63/02/54/1066630254.db2.gz PSHQCALEVFFTAS-UHFFFAOYSA-N 1 1 483.480 3.481 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001301723071 1066631616 /nfs/dbraw/zinc/63/16/16/1066631616.db2.gz VCAWIAIIBPTWOG-DVECYGJZSA-N 1 1 461.582 3.142 20 0 JGADMO COCC[N@@H+](C)CCCn1c(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)nnc1C(C)(C)C ZINC001301722846 1066632296 /nfs/dbraw/zinc/63/22/96/1066632296.db2.gz RLTROWCUHXFYNK-FQEVSTJZSA-N 1 1 456.635 3.033 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001301723147 1066633503 /nfs/dbraw/zinc/63/35/03/1066633503.db2.gz XDJGFGOMVMYNRB-FGTMMUONSA-N 1 1 451.612 3.466 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001301724663 1066637080 /nfs/dbraw/zinc/63/70/80/1066637080.db2.gz SNKDMAXKRONCOQ-MRXNPFEDSA-N 1 1 486.418 3.360 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001301725071 1066638273 /nfs/dbraw/zinc/63/82/73/1066638273.db2.gz LQBABTSKIXJTFW-IBGZPJMESA-N 1 1 450.587 3.426 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001302169681 1066638908 /nfs/dbraw/zinc/63/89/08/1066638908.db2.gz UJLWRDUCTSTQCK-FUHWJXTLSA-N 1 1 484.428 3.214 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001301725370 1066639504 /nfs/dbraw/zinc/63/95/04/1066639504.db2.gz FENOHXKLNXRUEY-UHFFFAOYSA-N 1 1 475.540 3.191 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001301725719 1066640984 /nfs/dbraw/zinc/64/09/84/1066640984.db2.gz JOGRPCAWGILLJN-DHIUTWEWSA-N 1 1 471.646 3.205 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001301726004 1066641466 /nfs/dbraw/zinc/64/14/66/1066641466.db2.gz MLFFEPXUVUTFPZ-HXUWFJFHSA-N 1 1 451.999 3.047 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CC=CCC2)[C@H](C)C1 ZINC001301725875 1066641589 /nfs/dbraw/zinc/64/15/89/1066641589.db2.gz UAFIMTPJZIWSQA-GOSISDBHSA-N 1 1 487.446 3.335 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001301726010 1066641610 /nfs/dbraw/zinc/64/16/10/1066641610.db2.gz MQOGKRNMUJFFQF-SFHVURJKSA-N 1 1 486.617 3.093 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCNC(=O)C(C)(C)C ZINC001302171853 1066642412 /nfs/dbraw/zinc/64/24/12/1066642412.db2.gz FFJOIEWYAFTNOD-UHFFFAOYSA-N 1 1 458.626 3.490 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C)C1 ZINC001301726131 1066642387 /nfs/dbraw/zinc/64/23/87/1066642387.db2.gz PQBMFCIMXIZPIF-CQSZACIVSA-N 1 1 472.815 3.164 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001301726386 1066642935 /nfs/dbraw/zinc/64/29/35/1066642935.db2.gz RNZKWNBFCDLNEP-FQEVSTJZSA-N 1 1 457.619 3.210 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCC(C)(F)F ZINC001302173944 1066644915 /nfs/dbraw/zinc/64/49/15/1066644915.db2.gz MINMTNHSTQMBAS-IBGZPJMESA-N 1 1 465.589 3.474 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001301727709 1066645666 /nfs/dbraw/zinc/64/56/66/1066645666.db2.gz JUTVWOCBBRZZEO-UHFFFAOYSA-N 1 1 474.009 3.223 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2cccn2)CC1 ZINC001301727667 1066645886 /nfs/dbraw/zinc/64/58/86/1066645886.db2.gz JCQSFJJAZGOVBK-UHFFFAOYSA-N 1 1 458.010 3.290 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001301728232 1066647116 /nfs/dbraw/zinc/64/71/16/1066647116.db2.gz XYHQQGCDCVUODV-INIZCTEOSA-N 1 1 466.424 3.290 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301728080 1066647179 /nfs/dbraw/zinc/64/71/79/1066647179.db2.gz UPBBTRRMPALXMX-FXAWDEMLSA-N 1 1 476.597 3.012 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001301728325 1066647219 /nfs/dbraw/zinc/64/72/19/1066647219.db2.gz ZBGALRYWTFTODG-HXUWFJFHSA-N 1 1 453.591 3.414 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001301728081 1066647225 /nfs/dbraw/zinc/64/72/25/1066647225.db2.gz UPBBTRRMPALXMX-PXNSSMCTSA-N 1 1 476.597 3.012 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@H](SC)C1 ZINC001301729841 1066648397 /nfs/dbraw/zinc/64/83/97/1066648397.db2.gz MVCBTOWDXNFRGW-QFIPXVFZSA-N 1 1 469.659 3.431 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001301730099 1066648624 /nfs/dbraw/zinc/64/86/24/1066648624.db2.gz PHYMBZKGCNTOJX-OALUTQOASA-N 1 1 455.632 3.039 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001301730496 1066649065 /nfs/dbraw/zinc/64/90/65/1066649065.db2.gz AUDHUHZHZZSUFI-SLFFLAALSA-N 1 1 476.666 3.063 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001301731113 1066650675 /nfs/dbraw/zinc/65/06/75/1066650675.db2.gz JZTNHDZAHMJKBP-SFTDATJTSA-N 1 1 464.010 3.329 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001301731140 1066650753 /nfs/dbraw/zinc/65/07/53/1066650753.db2.gz KGVPWSLLEZTUTI-UHFFFAOYSA-N 1 1 466.552 3.469 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001302177436 1066652360 /nfs/dbraw/zinc/65/23/60/1066652360.db2.gz WFZWPWRMZXMXMR-PXDATVDWSA-N 1 1 459.610 3.215 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001301734791 1066655940 /nfs/dbraw/zinc/65/59/40/1066655940.db2.gz RFGVTEYZSPHRTQ-HXUWFJFHSA-N 1 1 450.027 3.352 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001301734663 1066655979 /nfs/dbraw/zinc/65/59/79/1066655979.db2.gz PSVSBRRNITVMGV-MAUKXSAKSA-N 1 1 475.943 3.257 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1ccc(C)cc1 ZINC001301734995 1066656706 /nfs/dbraw/zinc/65/67/06/1066656706.db2.gz USMDTSOWNFZMFO-OAQYLSRUSA-N 1 1 488.633 3.241 20 0 JGADMO COCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001301736962 1066659397 /nfs/dbraw/zinc/65/93/97/1066659397.db2.gz QUPZJOBAEZOCBU-DEOSSOPVSA-N 1 1 472.659 3.175 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001301737037 1066659419 /nfs/dbraw/zinc/65/94/19/1066659419.db2.gz RRQXBHJCRLQMHW-UHFFFAOYSA-N 1 1 458.365 3.474 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001301737384 1066659472 /nfs/dbraw/zinc/65/94/72/1066659472.db2.gz XQJMGIVFLSFJLH-IRXDYDNUSA-N 1 1 454.040 3.419 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC2CC2)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001301737424 1066659540 /nfs/dbraw/zinc/65/95/40/1066659540.db2.gz YMECCIAFNOHUCM-WCRBZPEASA-N 1 1 476.666 3.176 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001301739974 1066660864 /nfs/dbraw/zinc/66/08/64/1066660864.db2.gz GYALVBHSGYUDJT-DQEYMECFSA-N 1 1 461.651 3.224 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301739975 1066660947 /nfs/dbraw/zinc/66/09/47/1066660947.db2.gz GYALVBHSGYUDJT-JWQCQUIFSA-N 1 1 461.651 3.224 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001301740091 1066661213 /nfs/dbraw/zinc/66/12/13/1066661213.db2.gz JFYFHWYSOGAAOL-UXHICEINSA-N 1 1 464.655 3.411 20 0 JGADMO COCCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CC[C@H](C)C1 ZINC001301740340 1066661413 /nfs/dbraw/zinc/66/14/13/1066661413.db2.gz BMVIZUIUOADJIW-HBMCJLEFSA-N 1 1 460.667 3.276 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001301742056 1066664439 /nfs/dbraw/zinc/66/44/39/1066664439.db2.gz UMKCQNBIUIWNHZ-XLGIIRLISA-N 1 1 489.636 3.012 20 0 JGADMO COCCOC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001302185965 1066665053 /nfs/dbraw/zinc/66/50/53/1066665053.db2.gz YHBLORGZDRSZFQ-SFTDATJTSA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(C)(=O)=O)CC1 ZINC001302190796 1066672029 /nfs/dbraw/zinc/67/20/29/1066672029.db2.gz DLMLYMOQPMDTHP-UHFFFAOYSA-N 1 1 472.030 3.340 20 0 JGADMO COCCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[C@H](C)C1 ZINC001301747830 1066675819 /nfs/dbraw/zinc/67/58/19/1066675819.db2.gz GNISTJZCSXETCB-ITTUMRLJSA-N 1 1 473.666 3.208 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCS(C)(=O)=O)CC1 ZINC001302194175 1066681123 /nfs/dbraw/zinc/68/11/23/1066681123.db2.gz YGRPYTQAZUXXEL-WOJBJXKFSA-N 1 1 483.723 3.190 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CC1 ZINC001302194481 1066681645 /nfs/dbraw/zinc/68/16/45/1066681645.db2.gz FMKUVKHHBQPXLO-HXUWFJFHSA-N 1 1 458.582 3.148 20 0 JGADMO COCCOC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302194805 1066682117 /nfs/dbraw/zinc/68/21/17/1066682117.db2.gz KABLLUOCSYMTIJ-BHIFYINESA-N 1 1 471.646 3.322 20 0 JGADMO COCCOC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001302199295 1066691373 /nfs/dbraw/zinc/69/13/73/1066691373.db2.gz WTMZLLHNNKWGNU-IBGZPJMESA-N 1 1 478.037 3.199 20 0 JGADMO COCCOC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001302199295 1066691379 /nfs/dbraw/zinc/69/13/79/1066691379.db2.gz WTMZLLHNNKWGNU-IBGZPJMESA-N 1 1 478.037 3.199 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCOC2)CC1 ZINC001302199528 1066691477 /nfs/dbraw/zinc/69/14/77/1066691477.db2.gz FPCHBEGOZZESND-GOSISDBHSA-N 1 1 460.648 3.007 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001302200006 1066691933 /nfs/dbraw/zinc/69/19/33/1066691933.db2.gz IFJHAXVSXLQPNN-UHFFFAOYSA-N 1 1 462.602 3.113 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCOCC2(C)C)CC1 ZINC001302200569 1066694228 /nfs/dbraw/zinc/69/42/28/1066694228.db2.gz OTHHXVILDVOIBO-UHFFFAOYSA-N 1 1 472.653 3.429 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001302200903 1066695405 /nfs/dbraw/zinc/69/54/05/1066695405.db2.gz UCNKMOHCUVWFMH-QFIPXVFZSA-N 1 1 456.635 3.018 20 0 JGADMO COCCN(c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCOCC1(C)C)[C@@H]1CC[C@@H](C)C1 ZINC001301760052 1066697367 /nfs/dbraw/zinc/69/73/67/1066697367.db2.gz ZADSODGUXWEJLV-IFMALSPDSA-N 1 1 456.635 3.016 20 0 JGADMO COCCN(c1nnc(Cc2ccncc2)n1CC[N@H+]1CCOCC1(C)C)[C@@H]1CC[C@@H](C)C1 ZINC001301760052 1066697373 /nfs/dbraw/zinc/69/73/73/1066697373.db2.gz ZADSODGUXWEJLV-IFMALSPDSA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301762460 1066700463 /nfs/dbraw/zinc/70/04/63/1066700463.db2.gz AXCMRZIFBOLHDL-RDPSFJRHSA-N 1 1 484.620 3.341 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](C)c3nccs3)C[C@H]2C)CC1 ZINC001301762622 1066701357 /nfs/dbraw/zinc/70/13/57/1066701357.db2.gz CGKGXOIFIHJRKD-WSTZPKSXSA-N 1 1 473.691 3.116 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3nc(C(C)C)cs3)C[C@@H]2C)CC1 ZINC001301763495 1066703096 /nfs/dbraw/zinc/70/30/96/1066703096.db2.gz GLCTZUJUYHDKIT-PXNSSMCTSA-N 1 1 459.664 3.019 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCCSCC(C)C)C[C@@H]2C)CC1 ZINC001301763664 1066703823 /nfs/dbraw/zinc/70/38/23/1066703823.db2.gz GTKQWTPHPRLDSJ-PZJWPPBQSA-N 1 1 450.697 3.170 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(C)(C)O)c3)C[C@H]2C)CC1 ZINC001301764146 1066704766 /nfs/dbraw/zinc/70/47/66/1066704766.db2.gz IOOAWGDHSDYIFG-YKSBVNFPSA-N 1 1 496.700 3.131 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCOc3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC001301764466 1066705422 /nfs/dbraw/zinc/70/54/22/1066705422.db2.gz JQUZYYIXIOOQDY-WMZHIEFXSA-N 1 1 489.064 3.198 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001301765982 1066707215 /nfs/dbraw/zinc/70/72/15/1066707215.db2.gz AKMPABZSXWRLKL-UHFFFAOYSA-N 1 1 489.546 3.103 20 0 JGADMO COCCOCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001302209339 1066707721 /nfs/dbraw/zinc/70/77/21/1066707721.db2.gz VEFOGZLRWQSZQH-LJQANCHMSA-N 1 1 478.037 3.341 20 0 JGADMO COCCN(CC(C)C)c1nnc(-c2cccc3cccnc32)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301766788 1066708576 /nfs/dbraw/zinc/70/85/76/1066708576.db2.gz VFMSDRKXHQDNGZ-HXUWFJFHSA-N 1 1 452.603 3.323 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(OC(C)C)cc3)C[C@@H]2C)CC1 ZINC001301767147 1066708596 /nfs/dbraw/zinc/70/85/96/1066708596.db2.gz PLLZVVMJWBPOKG-GBXCKJPGSA-N 1 1 482.673 3.400 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4F)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001301767616 1066710445 /nfs/dbraw/zinc/71/04/45/1066710445.db2.gz REBJIMKJRCNBMP-OXJNMPFZSA-N 1 1 464.536 3.118 20 0 JGADMO CC(C)=CCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301768345 1066711141 /nfs/dbraw/zinc/71/11/41/1066711141.db2.gz UTTNCLIJYHTGGR-OFNKIYASSA-N 1 1 484.620 3.341 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccccc4F)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301768326 1066711341 /nfs/dbraw/zinc/71/13/41/1066711341.db2.gz ULQBCSBRWAJELL-UWJYYQICSA-N 1 1 496.553 3.339 20 0 JGADMO COCCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001301770315 1066713400 /nfs/dbraw/zinc/71/34/00/1066713400.db2.gz LHMGZQGRCJZFHV-JOCHJYFZSA-N 1 1 468.646 3.175 20 0 JGADMO COCCOCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001302212521 1066714471 /nfs/dbraw/zinc/71/44/71/1066714471.db2.gz UFDPLEPAVRZGOC-UHFFFAOYSA-N 1 1 454.619 3.410 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(C(=O)NC(C)C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001301779104 1066727089 /nfs/dbraw/zinc/72/70/89/1066727089.db2.gz ZOAXVDFCFFGSHI-HXUWFJFHSA-N 1 1 460.623 3.091 20 0 JGADMO COCCN(Cc1ccc2c(c1)OCO2)c1nnc(C(C)(C)C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301779934 1066728746 /nfs/dbraw/zinc/72/87/46/1066728746.db2.gz CTPMHYXZONFFNZ-BGYRXZFFSA-N 1 1 487.645 3.457 20 0 JGADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c(OC)c1 ZINC001301781682 1066731427 /nfs/dbraw/zinc/73/14/27/1066731427.db2.gz FTVFPKPLCZQXEQ-NFBKMPQASA-N 1 1 451.567 3.008 20 0 JGADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c(OC)c1 ZINC001301781683 1066731442 /nfs/dbraw/zinc/73/14/42/1066731442.db2.gz FTVFPKPLCZQXEQ-NZQKXSOJSA-N 1 1 451.567 3.008 20 0 JGADMO COCCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001301783464 1066731858 /nfs/dbraw/zinc/73/18/58/1066731858.db2.gz ZLAQPWHTLSAXFS-UHFFFAOYSA-N 1 1 477.657 3.328 20 0 JGADMO COCCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001301783464 1066731869 /nfs/dbraw/zinc/73/18/69/1066731869.db2.gz ZLAQPWHTLSAXFS-UHFFFAOYSA-N 1 1 477.657 3.328 20 0 JGADMO COCCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001301783464 1066731881 /nfs/dbraw/zinc/73/18/81/1066731881.db2.gz ZLAQPWHTLSAXFS-UHFFFAOYSA-N 1 1 477.657 3.328 20 0 JGADMO COCCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301783266 1066731977 /nfs/dbraw/zinc/73/19/77/1066731977.db2.gz VSKDKSFRYCIWQN-NRFANRHFSA-N 1 1 450.587 3.022 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC001301790176 1066740963 /nfs/dbraw/zinc/74/09/63/1066740963.db2.gz XUZCILNSUIATFM-UHFFFAOYSA-N 1 1 453.616 3.262 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001301790692 1066741002 /nfs/dbraw/zinc/74/10/02/1066741002.db2.gz XGYVJQFWWHTBKJ-UHFFFAOYSA-N 1 1 482.654 3.484 20 0 JGADMO CC(=O)Nc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001301790692 1066741010 /nfs/dbraw/zinc/74/10/10/1066741010.db2.gz XGYVJQFWWHTBKJ-UHFFFAOYSA-N 1 1 482.654 3.484 20 0 JGADMO COCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001302234541 1066754874 /nfs/dbraw/zinc/75/48/74/1066754874.db2.gz PQXIEWNMOULWMU-MHZLTWQESA-N 1 1 485.673 3.401 20 0 JGADMO COCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001302234541 1066754879 /nfs/dbraw/zinc/75/48/79/1066754879.db2.gz PQXIEWNMOULWMU-MHZLTWQESA-N 1 1 485.673 3.401 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCOC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302238881 1066759592 /nfs/dbraw/zinc/75/95/92/1066759592.db2.gz RIZQIUGFTWPWMZ-VABKMULXSA-N 1 1 457.619 3.116 20 0 JGADMO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001302240994 1066764935 /nfs/dbraw/zinc/76/49/35/1066764935.db2.gz KUQQYIOBNBMTPM-UXHICEINSA-N 1 1 492.665 3.076 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001301814409 1066769951 /nfs/dbraw/zinc/76/99/51/1066769951.db2.gz GUTTXMQLMJGLOR-QWFCFKBJSA-N 1 1 458.582 3.146 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cc[nH+]c2C)C1 ZINC001301818089 1066777554 /nfs/dbraw/zinc/77/75/54/1066777554.db2.gz JJZGPUGRMIHOPO-FQEVSTJZSA-N 1 1 486.418 3.408 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302247891 1066779042 /nfs/dbraw/zinc/77/90/42/1066779042.db2.gz HUHYGEGJLQIPIC-OXHIVJRSSA-N 1 1 473.666 3.109 20 0 JGADMO CC(C)(C)OC(=O)NCC(F)(F)Cn1c(N2CC[N@H+]3CCCC[C@H]3C2)nnc1C(C)(C)C ZINC001302252436 1066790449 /nfs/dbraw/zinc/79/04/49/1066790449.db2.gz LVQLAAMLQXSRCW-INIZCTEOSA-N 1 1 456.582 3.410 20 0 JGADMO COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001301827746 1066793101 /nfs/dbraw/zinc/79/31/01/1066793101.db2.gz JRGXSNLHPCHCJW-UHFFFAOYSA-N 1 1 451.619 3.335 20 0 JGADMO CC(C)(C)OC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001302253946 1066795342 /nfs/dbraw/zinc/79/53/42/1066795342.db2.gz OLYKVOUWUAJQPD-UHFFFAOYSA-N 1 1 478.682 3.428 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001301832230 1066798814 /nfs/dbraw/zinc/79/88/14/1066798814.db2.gz KDKYCAPLTXOZHJ-CTNGQTDRSA-N 1 1 454.619 3.062 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cscn2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302257852 1066802614 /nfs/dbraw/zinc/80/26/14/1066802614.db2.gz FQOFRLBBWOYSOM-ZJOUEHCJSA-N 1 1 462.664 3.463 20 0 JGADMO CC(=O)NC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001301835832 1066804648 /nfs/dbraw/zinc/80/46/48/1066804648.db2.gz ATHYCSKPRAVPJM-OAHLLOKOSA-N 1 1 493.425 3.436 20 0 JGADMO COCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001301841099 1066812626 /nfs/dbraw/zinc/81/26/26/1066812626.db2.gz CPDFYMCGVLXRCM-CTNGQTDRSA-N 1 1 482.654 3.405 20 0 JGADMO CC(C)(C)OC(=O)NCCCn1c(CC2CCCC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302265107 1066818586 /nfs/dbraw/zinc/81/85/86/1066818586.db2.gz MYMVCGIVDNMYPM-OAQYLSRUSA-N 1 1 476.666 3.084 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301845345 1066818979 /nfs/dbraw/zinc/81/89/79/1066818979.db2.gz SNYCSZXZDAGKNI-GOSISDBHSA-N 1 1 473.691 3.393 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001301854334 1066833452 /nfs/dbraw/zinc/83/34/52/1066833452.db2.gz VJMGMBSGFDTUCT-OAQYLSRUSA-N 1 1 482.032 3.478 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001301856621 1066837819 /nfs/dbraw/zinc/83/78/19/1066837819.db2.gz GVPYBOUEKZPZCQ-HSZRJFAPSA-N 1 1 461.614 3.133 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C(C)C)cc1 ZINC001302280858 1066848515 /nfs/dbraw/zinc/84/85/15/1066848515.db2.gz HVZRFEKRORWNMK-SFLYRZDNSA-N 1 1 457.640 3.182 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C(C)C)cc1 ZINC001302280856 1066848580 /nfs/dbraw/zinc/84/85/80/1066848580.db2.gz HVZRFEKRORWNMK-FJIJXJHWSA-N 1 1 457.640 3.182 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301862939 1066850134 /nfs/dbraw/zinc/85/01/34/1066850134.db2.gz DTJZXKVWCAWNMX-AKIFATBCSA-N 1 1 460.667 3.037 20 0 JGADMO COCCN1C[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1=O ZINC001301865047 1066854822 /nfs/dbraw/zinc/85/48/22/1066854822.db2.gz UVRFWQGAZXZVTO-GOTSBHOMSA-N 1 1 482.673 3.072 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCn2cc[nH+]c2C)C1 ZINC001301867416 1066859068 /nfs/dbraw/zinc/85/90/68/1066859068.db2.gz MEIHMNMFLFXQJR-FQEVSTJZSA-N 1 1 485.583 3.485 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCC[N@@H+](C)C(C)C ZINC001302287240 1066860990 /nfs/dbraw/zinc/86/09/90/1066860990.db2.gz SLMBKLHXHUTLIV-FPOVZHCZSA-N 1 1 494.681 3.226 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+](C)C(C)C)C1 ZINC001301871015 1066863934 /nfs/dbraw/zinc/86/39/34/1066863934.db2.gz CFMSKFXPKIHZHT-QFIPXVFZSA-N 1 1 456.635 3.167 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+](C)C(C)C)C1 ZINC001301871014 1066864068 /nfs/dbraw/zinc/86/40/68/1066864068.db2.gz CFMSKFXPKIHZHT-JOCHJYFZSA-N 1 1 456.635 3.167 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001301871628 1066865362 /nfs/dbraw/zinc/86/53/62/1066865362.db2.gz HKQLQWIHWHGRDY-GMAHTHKFSA-N 1 1 468.646 3.311 20 0 JGADMO COCCN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001301874374 1066874774 /nfs/dbraw/zinc/87/47/74/1066874774.db2.gz HULPRYDOIHLMCL-URXFXBBRSA-N 1 1 470.662 3.404 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCCCO2)C[C@@H]1C ZINC001301874145 1066874998 /nfs/dbraw/zinc/87/49/98/1066874998.db2.gz GDTCQVYCZMNMNQ-GMAHTHKFSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCCCO2)C[C@@H]1C ZINC001301874145 1066875005 /nfs/dbraw/zinc/87/50/05/1066875005.db2.gz GDTCQVYCZMNMNQ-GMAHTHKFSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCCCO2)C[C@@H]1C ZINC001301874146 1066875044 /nfs/dbraw/zinc/87/50/44/1066875044.db2.gz GDTCQVYCZMNMNQ-JTHBVZDNSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCCCO2)C[C@@H]1C ZINC001301874146 1066875049 /nfs/dbraw/zinc/87/50/49/1066875049.db2.gz GDTCQVYCZMNMNQ-JTHBVZDNSA-N 1 1 484.645 3.263 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC001301875387 1066876736 /nfs/dbraw/zinc/87/67/36/1066876736.db2.gz QHBMPFWQAIZASQ-UHFFFAOYSA-N 1 1 463.026 3.335 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001301876459 1066878041 /nfs/dbraw/zinc/87/80/41/1066878041.db2.gz WJAWCHIZMRJCJQ-CQSZACIVSA-N 1 1 460.570 3.451 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CC(F)(F)C2)CC1 ZINC001301876353 1066878218 /nfs/dbraw/zinc/87/82/18/1066878218.db2.gz FEIQBMZUDLMEEF-INIZCTEOSA-N 1 1 453.509 3.371 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)(C)C)CC1 ZINC001301876724 1066878296 /nfs/dbraw/zinc/87/82/96/1066878296.db2.gz GVOYUWWAWRQXCD-OAQYLSRUSA-N 1 1 486.661 3.108 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CCOCC2)C[C@@H]1C ZINC001301876841 1066878767 /nfs/dbraw/zinc/87/87/67/1066878767.db2.gz IJNLXINEYGPMRV-RBUKOAKNSA-N 1 1 461.582 3.141 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)cc(C)cc2C)CC1 ZINC001301877925 1066880179 /nfs/dbraw/zinc/88/01/79/1066880179.db2.gz SUDGNRPISJBGME-SANMLTNESA-N 1 1 471.646 3.061 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccccn2)C[C@H]1C ZINC001301877719 1066880292 /nfs/dbraw/zinc/88/02/92/1066880292.db2.gz QWVCIMHEMDNWHW-WOJBJXKFSA-N 1 1 468.577 3.352 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301880425 1066886024 /nfs/dbraw/zinc/88/60/24/1066886024.db2.gz VCIYQMJPQHYNSX-OYRHEFFESA-N 1 1 467.662 3.451 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC001301881337 1066887742 /nfs/dbraw/zinc/88/77/42/1066887742.db2.gz DIJJKDBJDTWBPV-NMEJYPJZSA-N 1 1 468.067 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC001301881337 1066887750 /nfs/dbraw/zinc/88/77/50/1066887750.db2.gz DIJJKDBJDTWBPV-NMEJYPJZSA-N 1 1 468.067 3.303 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001301881997 1066889224 /nfs/dbraw/zinc/88/92/24/1066889224.db2.gz KERXTZPWTZVJEZ-IBGZPJMESA-N 1 1 496.425 3.430 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)CCC(C)C)CC1 ZINC001301882680 1066890259 /nfs/dbraw/zinc/89/02/59/1066890259.db2.gz RWEVMIQGSORIEN-QFIPXVFZSA-N 1 1 497.482 3.002 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCc1cc(F)cc(F)c1 ZINC001302303363 1066890447 /nfs/dbraw/zinc/89/04/47/1066890447.db2.gz DTTMDOOEUQTBNJ-UGKGYDQZSA-N 1 1 463.573 3.444 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001301883417 1066891655 /nfs/dbraw/zinc/89/16/55/1066891655.db2.gz WVEKBZYEGLYPHY-AFMDSPMNSA-N 1 1 487.645 3.060 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nc(C)c(C)s2)CC1 ZINC001301883409 1066891772 /nfs/dbraw/zinc/89/17/72/1066891772.db2.gz WNEFLGAZGHFALS-UHFFFAOYSA-N 1 1 478.569 3.437 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001302304307 1066892099 /nfs/dbraw/zinc/89/20/99/1066892099.db2.gz VOUDVEHGMGUNML-GMAHTHKFSA-N 1 1 471.646 3.198 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001302304658 1066892258 /nfs/dbraw/zinc/89/22/58/1066892258.db2.gz YONKODBURPXYEF-PXNSSMCTSA-N 1 1 493.450 3.128 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001301884874 1066893388 /nfs/dbraw/zinc/89/33/88/1066893388.db2.gz FGDXSSAQBHWDOO-KRWDZBQOSA-N 1 1 470.643 3.427 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)SC)CC1 ZINC001301885859 1066894863 /nfs/dbraw/zinc/89/48/63/1066894863.db2.gz NVRQKHSRTSXWBM-HNNXBMFYSA-N 1 1 454.438 3.228 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC2CCOCC2)C[C@H]1C ZINC001301886488 1066898018 /nfs/dbraw/zinc/89/80/18/1066898018.db2.gz ADCBNLQPQMBZHF-GOSISDBHSA-N 1 1 463.026 3.357 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)C[C@H]1C ZINC001301886750 1066898301 /nfs/dbraw/zinc/89/83/01/1066898301.db2.gz AJOGFDFYSWXTEG-JOCHJYFZSA-N 1 1 484.689 3.122 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2(OC)CCC2)CC1 ZINC001301886648 1066898344 /nfs/dbraw/zinc/89/83/44/1066898344.db2.gz CYLJSEQZBYCWRL-UHFFFAOYSA-N 1 1 451.974 3.465 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001301886751 1066898492 /nfs/dbraw/zinc/89/84/92/1066898492.db2.gz AJOGFDFYSWXTEG-QFIPXVFZSA-N 1 1 484.689 3.122 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001301887007 1066899192 /nfs/dbraw/zinc/89/91/92/1066899192.db2.gz FWIAREKTGZDQBS-BEFAXECRSA-N 1 1 495.455 3.324 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 ZINC001301887520 1066900727 /nfs/dbraw/zinc/90/07/27/1066900727.db2.gz IVONUBHHGLMDSN-UHFFFAOYSA-N 1 1 487.914 3.069 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@](C)(O)C(C)C ZINC001302309005 1066900973 /nfs/dbraw/zinc/90/09/73/1066900973.db2.gz QPIFNRMOZGDDOZ-RLIDHQHUSA-N 1 1 477.675 3.354 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[C@H]2CCOC2)CC1 ZINC001301887645 1066901258 /nfs/dbraw/zinc/90/12/58/1066901258.db2.gz JUSXZYZXQBLMAR-INIZCTEOSA-N 1 1 454.402 3.447 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C(C)(C)C)no2)C[C@@H]1C ZINC001301887808 1066901375 /nfs/dbraw/zinc/90/13/75/1066901375.db2.gz LMMRQEGXBXTFAB-INIZCTEOSA-N 1 1 474.009 3.484 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCCCC2)C[C@@H]1C ZINC001301888110 1066902449 /nfs/dbraw/zinc/90/24/49/1066902449.db2.gz MEUVVPNOMNKDMZ-SFHVURJKSA-N 1 1 478.037 3.459 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001301888197 1066903102 /nfs/dbraw/zinc/90/31/02/1066903102.db2.gz OATNGHAVIIIQLU-UZLBHIALSA-N 1 1 496.425 3.430 20 0 JGADMO CC(C)(C)OCCn1c(CCOc2ccccc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001302310378 1066903111 /nfs/dbraw/zinc/90/31/11/1066903111.db2.gz HQZIXTGCQUMMKB-RUZDIDTESA-N 1 1 457.619 3.016 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301888343 1066903694 /nfs/dbraw/zinc/90/36/94/1066903694.db2.gz MQCWLWZWYDLEJK-ROUUACIJSA-N 1 1 476.622 3.259 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OC)cc2OC)C[C@@H]1C ZINC001301888392 1066903808 /nfs/dbraw/zinc/90/38/08/1066903808.db2.gz NRSKKGQIOCGZFW-SFHVURJKSA-N 1 1 469.586 3.263 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001301888499 1066904447 /nfs/dbraw/zinc/90/44/47/1066904447.db2.gz QYSBOMWZRPFXJM-QHCPKHFHSA-N 1 1 466.001 3.447 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1C ZINC001301889021 1066905560 /nfs/dbraw/zinc/90/55/60/1066905560.db2.gz UUMNQTRXEKAQLY-QRVBRYPASA-N 1 1 478.037 3.437 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001301889016 1066905692 /nfs/dbraw/zinc/90/56/92/1066905692.db2.gz USDOJOOTEMDYKF-UHFFFAOYSA-N 1 1 486.020 3.383 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CC=CCO2)C[C@@H]1C ZINC001301889229 1066906618 /nfs/dbraw/zinc/90/66/18/1066906618.db2.gz XSJATPZAJCTYAS-UNMCSNQZSA-N 1 1 485.629 3.243 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)cc2OC)CC1 ZINC001301889232 1066906873 /nfs/dbraw/zinc/90/68/73/1066906873.db2.gz XULUFADQLDTEHI-UHFFFAOYSA-N 1 1 456.978 3.127 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301889477 1066907756 /nfs/dbraw/zinc/90/77/56/1066907756.db2.gz ZSJFTHXHHGDNJU-SFHVURJKSA-N 1 1 476.622 3.260 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@@](C)(O)C(C)C)C[C@@H]1C ZINC001301889816 1066909088 /nfs/dbraw/zinc/90/90/88/1066909088.db2.gz CZIKEZOFGHFCSK-UQBPGWFLSA-N 1 1 452.603 3.057 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001301890077 1066909528 /nfs/dbraw/zinc/90/95/28/1066909528.db2.gz GHKNUBVGDZIUHG-HXUWFJFHSA-N 1 1 468.646 3.309 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC[C@H]2C)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302314981 1066911445 /nfs/dbraw/zinc/91/14/45/1066911445.db2.gz OBEDGAHYRNGHEH-OIBXWCBGSA-N 1 1 457.619 3.116 20 0 JGADMO COC[C@H]1[C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CC[N@@H+](C)C(C)C)CC[C@H]12 ZINC001302320767 1066918744 /nfs/dbraw/zinc/91/87/44/1066918744.db2.gz AIWNLBNAMYDADJ-GVDBMIGSSA-N 1 1 451.413 3.095 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)Oc2cccc(F)c2)C[C@H]1C ZINC001301896390 1066919400 /nfs/dbraw/zinc/91/94/00/1066919400.db2.gz SGGFLPDRQCZVJO-RTBURBONSA-N 1 1 456.566 3.047 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001301896480 1066919701 /nfs/dbraw/zinc/91/97/01/1066919701.db2.gz LHCQVMXLRQPNMK-UHFFFAOYSA-N 1 1 484.645 3.421 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(C)(C)C)nc2)C[C@@H]1C ZINC001301896549 1066919969 /nfs/dbraw/zinc/91/99/69/1066919969.db2.gz UOXYLCMIEOEFKH-IBGZPJMESA-N 1 1 465.602 3.118 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001301896527 1066920076 /nfs/dbraw/zinc/92/00/76/1066920076.db2.gz UAGUDSKOAPVVJP-FQEVSTJZSA-N 1 1 452.603 3.000 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001301897442 1066921225 /nfs/dbraw/zinc/92/12/25/1066921225.db2.gz WOZRNAJKWIKMJI-FQEVSTJZSA-N 1 1 472.609 3.034 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001301897407 1066921490 /nfs/dbraw/zinc/92/14/90/1066921490.db2.gz VYUSRMSOGOUOJK-OAQYLSRUSA-N 1 1 458.626 3.363 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCOC(C)C)C[C@H]1C ZINC001301898282 1066922395 /nfs/dbraw/zinc/92/23/95/1066922395.db2.gz JYKNWQMYTNLDMB-HXUWFJFHSA-N 1 1 454.619 3.409 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001301898477 1066922857 /nfs/dbraw/zinc/92/28/57/1066922857.db2.gz FHNPFNAKCXJEGB-NRFANRHFSA-N 1 1 488.702 3.347 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301900049 1066924646 /nfs/dbraw/zinc/92/46/46/1066924646.db2.gz MMMPKAMBTLTCCY-JQVVWYNYSA-N 1 1 460.667 3.034 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)C2CCCCC2)C[C@H]1C ZINC001301900408 1066925268 /nfs/dbraw/zinc/92/52/68/1066925268.db2.gz LCZLIGKAXRQLCO-CJFMBICVSA-N 1 1 456.635 3.137 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC001301900462 1066925725 /nfs/dbraw/zinc/92/57/25/1066925725.db2.gz LYBBGLXMWPXBID-GOSISDBHSA-N 1 1 454.550 3.001 20 0 JGADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cc[nH+]c2C)CCO1 ZINC001301900905 1066926105 /nfs/dbraw/zinc/92/61/05/1066926105.db2.gz NHKWLBQLVIQKQQ-SFHVURJKSA-N 1 1 492.411 3.188 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cc[nH+]c2C)CCO1 ZINC001301900904 1066926145 /nfs/dbraw/zinc/92/61/45/1066926145.db2.gz NHKWLBQLVIQKQQ-GOSISDBHSA-N 1 1 492.411 3.188 20 0 JGADMO CON(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCc2sccc2C1 ZINC001302330285 1066931026 /nfs/dbraw/zinc/93/10/26/1066931026.db2.gz CRBBXQORRSMKRC-UHFFFAOYSA-N 1 1 451.394 3.164 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC001301906810 1066931355 /nfs/dbraw/zinc/93/13/55/1066931355.db2.gz GLLXCAUCICDZJO-LJQANCHMSA-N 1 1 474.650 3.270 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001301908244 1066932329 /nfs/dbraw/zinc/93/23/29/1066932329.db2.gz XOBQIIKSRFVLAO-QGZVFWFLSA-N 1 1 482.551 3.477 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001301908127 1066932492 /nfs/dbraw/zinc/93/24/92/1066932492.db2.gz UUTSCSOKJJLCDS-CYBMUJFWSA-N 1 1 475.947 3.157 20 0 JGADMO CON(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302333718 1066932611 /nfs/dbraw/zinc/93/26/11/1066932611.db2.gz ORFMBFABKIZNJT-KRWDZBQOSA-N 1 1 451.015 3.343 20 0 JGADMO CON(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302333720 1066932659 /nfs/dbraw/zinc/93/26/59/1066932659.db2.gz ORFMBFABKIZNJT-QGZVFWFLSA-N 1 1 451.015 3.343 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001301908897 1066932829 /nfs/dbraw/zinc/93/28/29/1066932829.db2.gz KIOBRASDTCFSES-MJGOQNOKSA-N 1 1 467.536 3.200 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301910468 1066934846 /nfs/dbraw/zinc/93/48/46/1066934846.db2.gz CNSCCGKWGHEVDS-TXTKFYIRSA-N 1 1 491.080 3.285 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(C)ccc2OC)C[C@@H]1C ZINC001301911617 1066937261 /nfs/dbraw/zinc/93/72/61/1066937261.db2.gz IEDQHIVKSYMEQJ-NZQKXSOJSA-N 1 1 457.619 3.236 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001301911642 1066937516 /nfs/dbraw/zinc/93/75/16/1066937516.db2.gz ITBCVECZPJXQER-LJQANCHMSA-N 1 1 471.499 3.494 20 0 JGADMO CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(F)(F)F ZINC001302340400 1066938696 /nfs/dbraw/zinc/93/86/96/1066938696.db2.gz CRQJKPICRGMTDD-GOSISDBHSA-N 1 1 491.624 3.471 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913054 1066941304 /nfs/dbraw/zinc/94/13/04/1066941304.db2.gz SJLOIZQBSRQENT-ZCYQVOJMSA-N 1 1 498.716 3.315 20 0 JGADMO COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913054 1066941311 /nfs/dbraw/zinc/94/13/11/1066941311.db2.gz SJLOIZQBSRQENT-ZCYQVOJMSA-N 1 1 498.716 3.315 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(F)(F)Br)CC1 ZINC001301913081 1066941353 /nfs/dbraw/zinc/94/13/53/1066941353.db2.gz SQVUTCZBVUCJLB-UHFFFAOYSA-N 1 1 478.769 3.278 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2cccnc2OC2CCCC2)C[C@H]1C ZINC001301913655 1066942764 /nfs/dbraw/zinc/94/27/64/1066942764.db2.gz WPPMQGMPOJDVAM-HXUWFJFHSA-N 1 1 456.635 3.398 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2cccc(C)c2)C[C@H]1C ZINC001301914421 1066943734 /nfs/dbraw/zinc/94/37/34/1066943734.db2.gz POMQBMCNSHEMJC-XPNTWCBSSA-N 1 1 457.619 3.453 20 0 JGADMO CON(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[N@@H+](C)C1CCCCC1 ZINC001302347904 1066944015 /nfs/dbraw/zinc/94/40/15/1066944015.db2.gz MYAIZBJBRKFSGU-LJQANCHMSA-N 1 1 466.627 3.239 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCCc2ccccc2F)C[C@@H]1C ZINC001301918272 1066947747 /nfs/dbraw/zinc/94/77/47/1066947747.db2.gz GKZCFHAEKGFLEV-FQEVSTJZSA-N 1 1 452.578 3.193 20 0 JGADMO CC(C)(O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302357788 1066949477 /nfs/dbraw/zinc/94/94/77/1066949477.db2.gz ANCLNCVUESMEAI-LJQANCHMSA-N 1 1 494.681 3.058 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001301918741 1066949606 /nfs/dbraw/zinc/94/96/06/1066949606.db2.gz LGXPVOSPCBSORZ-OAQYLSRUSA-N 1 1 478.641 3.407 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(Br)cc2)C[C@@H]1C ZINC001301918692 1066949703 /nfs/dbraw/zinc/94/97/03/1066949703.db2.gz JTSQYDGTVXHAQT-IBGZPJMESA-N 1 1 499.457 3.426 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCS2)C[C@H]1C ZINC001301918967 1066949882 /nfs/dbraw/zinc/94/98/82/1066949882.db2.gz LZNVCXQEGKVHQB-APWZRJJASA-N 1 1 450.678 3.076 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001301918770 1066949955 /nfs/dbraw/zinc/94/99/55/1066949955.db2.gz COFSZEDUYIPWPX-HSZRJFAPSA-N 1 1 454.663 3.210 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC001301918920 1066950288 /nfs/dbraw/zinc/95/02/88/1066950288.db2.gz FCXUVSJFBQBRKS-QFIPXVFZSA-N 1 1 471.005 3.073 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)c2ccccn2)CC1 ZINC001301919631 1066951568 /nfs/dbraw/zinc/95/15/68/1066951568.db2.gz JCPUODGZRJOPPI-UHFFFAOYSA-N 1 1 452.578 3.149 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCC(OC)CC2)C[C@@H]1C ZINC001301919640 1066951659 /nfs/dbraw/zinc/95/16/59/1066951659.db2.gz JGUXDLYWSOMNTA-ZJOBEGKPSA-N 1 1 471.646 3.240 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001301919314 1066951674 /nfs/dbraw/zinc/95/16/74/1066951674.db2.gz QFQPURHXUFUIAG-OALUTQOASA-N 1 1 452.525 3.326 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2CC2(COC)CCCCC2)C[C@@H]1C ZINC001301919762 1066952003 /nfs/dbraw/zinc/95/20/03/1066952003.db2.gz UKSUKDALSIQPAL-NRFANRHFSA-N 1 1 456.635 3.018 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC2CCOCC2)C[C@H]1C ZINC001301919746 1066952176 /nfs/dbraw/zinc/95/21/76/1066952176.db2.gz KFIVXGMSQWHXPD-LJQANCHMSA-N 1 1 462.038 3.496 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC2CCOCC2)C[C@@H]1C ZINC001301919743 1066952376 /nfs/dbraw/zinc/95/23/76/1066952376.db2.gz KFIVXGMSQWHXPD-IBGZPJMESA-N 1 1 462.038 3.496 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001301920970 1066954081 /nfs/dbraw/zinc/95/40/81/1066954081.db2.gz GEGQIUAAHCCXLC-MRXNPFEDSA-N 1 1 478.569 3.132 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001302363925 1066954204 /nfs/dbraw/zinc/95/42/04/1066954204.db2.gz MLDCVLMOJJJLAK-SJLPKXTDSA-N 1 1 465.440 3.392 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCSCC(F)(F)F)C[C@@H]1C ZINC001301921207 1066954509 /nfs/dbraw/zinc/95/45/09/1066954509.db2.gz RHRZGDOYQXDRKG-INIZCTEOSA-N 1 1 475.556 3.460 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001301921172 1066954627 /nfs/dbraw/zinc/95/46/27/1066954627.db2.gz RAFZQGGLNIEKJG-OAQYLSRUSA-N 1 1 486.661 3.249 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001302366630 1066955858 /nfs/dbraw/zinc/95/58/58/1066955858.db2.gz DTZWWXUFGZNTTE-GOSISDBHSA-N 1 1 478.435 3.352 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001302366630 1066955868 /nfs/dbraw/zinc/95/58/68/1066955868.db2.gz DTZWWXUFGZNTTE-GOSISDBHSA-N 1 1 478.435 3.352 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001301922744 1066956723 /nfs/dbraw/zinc/95/67/23/1066956723.db2.gz YRHULVZZABYKGV-QGZVFWFLSA-N 1 1 458.607 3.345 20 0 JGADMO CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001301923980 1066958072 /nfs/dbraw/zinc/95/80/72/1066958072.db2.gz QCUFBIHOWDMVMK-NFBKMPQASA-N 1 1 454.619 3.147 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001301925008 1066958658 /nfs/dbraw/zinc/95/86/58/1066958658.db2.gz WQMOZHMMUORIQF-PKTZIBPZSA-N 1 1 454.619 3.004 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001301924771 1066958687 /nfs/dbraw/zinc/95/86/87/1066958687.db2.gz WVKLPZSANBVOSW-RDJZCZTQSA-N 1 1 461.554 3.055 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001301927030 1066960653 /nfs/dbraw/zinc/96/06/53/1066960653.db2.gz SKNONZXWQIUQCS-UHFFFAOYSA-N 1 1 478.641 3.452 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)c2nccs2)C[C@H]1C ZINC001301926899 1066960908 /nfs/dbraw/zinc/96/09/08/1066960908.db2.gz PDJQOECAFGPMTP-WOJBJXKFSA-N 1 1 454.644 3.480 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001301927074 1066961003 /nfs/dbraw/zinc/96/10/03/1066961003.db2.gz UTIFKGKJICMWLT-UHFFFAOYSA-N 1 1 484.670 3.470 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2=CCCOC2)CC1 ZINC001301927255 1066961217 /nfs/dbraw/zinc/96/12/17/1066961217.db2.gz AKDIHELBEHCKJO-UHFFFAOYSA-N 1 1 469.630 3.404 20 0 JGADMO COCCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001301927360 1066962068 /nfs/dbraw/zinc/96/20/68/1066962068.db2.gz DCMFDZUVEOLAHR-HSZRJFAPSA-N 1 1 470.662 3.198 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nccs2)C[C@@H]1C ZINC001301927378 1066962257 /nfs/dbraw/zinc/96/22/57/1066962257.db2.gz DSAHVWCCJIAERA-IBGZPJMESA-N 1 1 456.616 3.136 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2c(C)noc2C)C[C@H]1C ZINC001301927490 1066962498 /nfs/dbraw/zinc/96/24/98/1066962498.db2.gz HHBGDPAWVSPWEB-LJQANCHMSA-N 1 1 468.602 3.170 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001301927564 1066962755 /nfs/dbraw/zinc/96/27/55/1066962755.db2.gz JJUFJFUDEYPCML-WIOPSUGQSA-N 1 1 471.646 3.303 20 0 JGADMO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001302379625 1066963496 /nfs/dbraw/zinc/96/34/96/1066963496.db2.gz DNDMKFVXWDFHKE-JOCHJYFZSA-N 1 1 477.053 3.009 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)OC)C[C@H]1C ZINC001301927775 1066964105 /nfs/dbraw/zinc/96/41/05/1066964105.db2.gz NNXYIJXDKUDIJE-QGZVFWFLSA-N 1 1 496.450 3.202 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NC2CCCCC2)C[C@H]1C ZINC001301927982 1066965110 /nfs/dbraw/zinc/96/51/10/1066965110.db2.gz QOOBYSPMWILYMQ-JOCHJYFZSA-N 1 1 498.672 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(Cl)cc2)C[C@H]1C ZINC001301930334 1066967560 /nfs/dbraw/zinc/96/75/60/1066967560.db2.gz LJTHQTFDZXQFHW-CBQOVEMMSA-N 1 1 478.037 3.055 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2nccs2)C[C@@H]1C ZINC001301931547 1066969233 /nfs/dbraw/zinc/96/92/33/1066969233.db2.gz DFJCUBKXRQOLPC-MSOLQXFVSA-N 1 1 474.606 3.413 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2nnc(C)s2)CC1 ZINC001301931592 1066969902 /nfs/dbraw/zinc/96/99/02/1066969902.db2.gz GAIUYPIQDAHZSC-UHFFFAOYSA-N 1 1 473.672 3.050 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccs2)CC1 ZINC001301931726 1066970124 /nfs/dbraw/zinc/97/01/24/1066970124.db2.gz TWILBHAHGWPSOE-KDURUIRLSA-N 1 1 490.674 3.121 20 0 JGADMO CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001302390064 1066970481 /nfs/dbraw/zinc/97/04/81/1066970481.db2.gz SAPHSHUZKJXAOY-QFIPXVFZSA-N 1 1 470.593 3.095 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)C[C@H]1C ZINC001301933110 1066972112 /nfs/dbraw/zinc/97/21/12/1066972112.db2.gz LAZGKIJGSHEYFX-MOPGFXCFSA-N 1 1 462.639 3.307 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001301933490 1066972447 /nfs/dbraw/zinc/97/24/47/1066972447.db2.gz NWZOPKDQPZTRSU-UFYCRDLUSA-N 1 1 475.609 3.357 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2sc(C)nc2C)C[C@H]1C ZINC001301933972 1066973698 /nfs/dbraw/zinc/97/36/98/1066973698.db2.gz SMMRHCPRDHGBFD-QGZVFWFLSA-N 1 1 486.642 3.144 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001302394291 1066974090 /nfs/dbraw/zinc/97/40/90/1066974090.db2.gz XLFAAWBRGXIQCK-UHFFFAOYSA-N 1 1 455.651 3.100 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCSC2(C)C)CC1 ZINC001301934184 1066974388 /nfs/dbraw/zinc/97/43/88/1066974388.db2.gz VJSNESUAQAQFBM-VAMGGRTRSA-N 1 1 465.708 3.497 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)c(OC)c2)CC1 ZINC001301934475 1066974803 /nfs/dbraw/zinc/97/48/03/1066974803.db2.gz ZDOUQAWPVOYTBZ-FYYLOGMGSA-N 1 1 471.646 3.330 20 0 JGADMO CC(=O)NCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301935533 1066976240 /nfs/dbraw/zinc/97/62/40/1066976240.db2.gz RICVPUMNPYPBNN-UHFFFAOYSA-N 1 1 456.635 3.311 20 0 JGADMO CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001302401835 1066981908 /nfs/dbraw/zinc/98/19/08/1066981908.db2.gz SZBLRZZHPKBLSZ-AEFFLSMTSA-N 1 1 484.428 3.357 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302404010 1066985158 /nfs/dbraw/zinc/98/51/58/1066985158.db2.gz LJQMHEJBPJJYAJ-UHFFFAOYSA-N 1 1 457.022 3.089 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302404575 1066986061 /nfs/dbraw/zinc/98/60/61/1066986061.db2.gz SZYATRSOTHEAAA-JOCHJYFZSA-N 1 1 470.637 3.433 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001302405365 1066986741 /nfs/dbraw/zinc/98/67/41/1066986741.db2.gz HLJLDOOYOPCYGV-FQEVSTJZSA-N 1 1 489.064 3.140 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1OC ZINC001302409059 1066992347 /nfs/dbraw/zinc/99/23/47/1066992347.db2.gz GAWWPMFINKVMPK-BGYRXZFFSA-N 1 1 478.435 3.432 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1OC ZINC001302409527 1066993142 /nfs/dbraw/zinc/99/31/42/1066993142.db2.gz JMEWAKSXAQOBNJ-LZQZEXGQSA-N 1 1 464.408 3.042 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001302417908 1067001377 /nfs/dbraw/zinc/00/13/77/1067001377.db2.gz BHQLBCJNURSOCK-OALUTQOASA-N 1 1 472.609 3.220 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001302417961 1067001749 /nfs/dbraw/zinc/00/17/49/1067001749.db2.gz CJQYRNWNBYEZOS-DXBBTUNJSA-N 1 1 474.694 3.422 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302418221 1067002102 /nfs/dbraw/zinc/00/21/02/1067002102.db2.gz DRWJHHWJFWYUIN-UHFFFAOYSA-N 1 1 475.037 3.062 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001302418893 1067003263 /nfs/dbraw/zinc/00/32/63/1067003263.db2.gz ROFDCJQZAAAHRQ-JOCHJYFZSA-N 1 1 467.662 3.127 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001302419465 1067004280 /nfs/dbraw/zinc/00/42/80/1067004280.db2.gz VWFNFZJWEBSPPT-FCHUYYIVSA-N 1 1 467.662 3.125 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302420750 1067005644 /nfs/dbraw/zinc/00/56/44/1067005644.db2.gz QMCZXAPIKUSSCN-XMMPIXPASA-N 1 1 496.700 3.322 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302422066 1067008237 /nfs/dbraw/zinc/00/82/37/1067008237.db2.gz FZTYRTVXVHIYHW-SFTDATJTSA-N 1 1 460.667 3.034 20 0 JGADMO CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001302428250 1067013591 /nfs/dbraw/zinc/01/35/91/1067013591.db2.gz NQXVKYYOKPSIQT-FQEVSTJZSA-N 1 1 464.035 3.264 20 0 JGADMO CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302428250 1067013600 /nfs/dbraw/zinc/01/36/00/1067013600.db2.gz NQXVKYYOKPSIQT-FQEVSTJZSA-N 1 1 464.035 3.264 20 0 JGADMO CC1(C)CN(c2nnc(COc3ccccc3F)n2CCC[NH+]2CCOCC2)CC(C)(C)O1 ZINC001303979216 1067026479 /nfs/dbraw/zinc/02/64/79/1067026479.db2.gz DKYFNNGVCQMHJL-UHFFFAOYSA-N 1 1 461.582 3.112 20 0 JGADMO CC(C)(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303980195 1067027648 /nfs/dbraw/zinc/02/76/48/1067027648.db2.gz SGOCGHACGLTSCK-SFHVURJKSA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303980195 1067027662 /nfs/dbraw/zinc/02/76/62/1067027662.db2.gz SGOCGHACGLTSCK-SFHVURJKSA-N 1 1 474.675 3.253 20 0 JGADMO CC1(C)COCC[N@@H+]1CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303982098 1067030179 /nfs/dbraw/zinc/03/01/79/1067030179.db2.gz VQSZBGTZDLQZPD-UHFFFAOYSA-N 1 1 486.970 3.394 20 0 JGADMO CC1(C)COCC[N@H+]1CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303982098 1067030195 /nfs/dbraw/zinc/03/01/95/1067030195.db2.gz VQSZBGTZDLQZPD-UHFFFAOYSA-N 1 1 486.970 3.394 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001303997240 1067039218 /nfs/dbraw/zinc/03/92/18/1067039218.db2.gz KHOHHGQYPYDTSY-NBGIEHNGSA-N 1 1 473.687 3.423 20 0 JGADMO CC1=C(Br)CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001303999011 1067041663 /nfs/dbraw/zinc/04/16/63/1067041663.db2.gz DDDOLZNRYPFEBW-MRXNPFEDSA-N 1 1 465.440 3.125 20 0 JGADMO CC(C)C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302444323 1067042597 /nfs/dbraw/zinc/04/25/97/1067042597.db2.gz RAGCRGYHTXIMMR-UPVQGACJSA-N 1 1 482.673 3.435 20 0 JGADMO CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302444318 1067042831 /nfs/dbraw/zinc/04/28/31/1067042831.db2.gz RAGCRGYHTXIMMR-ISKFKSNPSA-N 1 1 482.673 3.435 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001304000798 1067044740 /nfs/dbraw/zinc/04/47/40/1067044740.db2.gz AKALHUIDLKXEOZ-QGZVFWFLSA-N 1 1 461.408 3.248 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)C2CCCCC2)c1C ZINC001304011436 1067053975 /nfs/dbraw/zinc/05/39/75/1067053975.db2.gz RUPZLBWPVOZLBP-UHFFFAOYSA-N 1 1 495.672 3.470 20 0 JGADMO Cc1ccoc1C(=O)NCCCn1c(N2CC[NH+](CCOc3ccccc3)CC2)nnc1C(C)(C)C ZINC001304011625 1067054280 /nfs/dbraw/zinc/05/42/80/1067054280.db2.gz WHAVHOXGHRXKRR-UHFFFAOYSA-N 1 1 494.640 3.498 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304012880 1067056607 /nfs/dbraw/zinc/05/66/07/1067056607.db2.gz ICPMQJIFEAMCEO-DHIUTWEWSA-N 1 1 498.672 3.221 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001304014448 1067058024 /nfs/dbraw/zinc/05/80/24/1067058024.db2.gz SIZNLAOXGGHNHS-FQEVSTJZSA-N 1 1 461.614 3.440 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001304017587 1067061315 /nfs/dbraw/zinc/06/13/15/1067061315.db2.gz AQWUWBKLVZTQCH-JAXLGGSGSA-N 1 1 457.619 3.371 20 0 JGADMO CS(=O)(=O)CCCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001302458271 1067061602 /nfs/dbraw/zinc/06/16/02/1067061602.db2.gz HVSSJRZJMRDJGG-UHFFFAOYSA-N 1 1 473.668 3.077 20 0 JGADMO CS(=O)(=O)CCCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001302458271 1067061617 /nfs/dbraw/zinc/06/16/17/1067061617.db2.gz HVSSJRZJMRDJGG-UHFFFAOYSA-N 1 1 473.668 3.077 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@]2(C)CN(C)C2=O)c1C ZINC001304018445 1067062720 /nfs/dbraw/zinc/06/27/20/1067062720.db2.gz KBUOUWUNJCPKNZ-JIPXPUAJSA-N 1 1 498.672 3.060 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@]2(C)CN(C)C2=O)c1C ZINC001304018445 1067062734 /nfs/dbraw/zinc/06/27/34/1067062734.db2.gz KBUOUWUNJCPKNZ-JIPXPUAJSA-N 1 1 498.672 3.060 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001304020311 1067064401 /nfs/dbraw/zinc/06/44/01/1067064401.db2.gz SQRFKFIIALMMNH-SVFBPWRDSA-N 1 1 454.619 3.186 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001304021205 1067065125 /nfs/dbraw/zinc/06/51/25/1067065125.db2.gz XZSFBONESBHFEH-AZUAARDMSA-N 1 1 465.602 3.297 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(=O)NC(C)C)c1C ZINC001304021246 1067065269 /nfs/dbraw/zinc/06/52/69/1067065269.db2.gz YAMAVYWGGWQGQV-MDNUFGMLSA-N 1 1 498.672 3.107 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304021833 1067065866 /nfs/dbraw/zinc/06/58/66/1067065866.db2.gz UHKMKGSEXMBXJD-VHFRWLAGSA-N 1 1 498.672 3.093 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001304026012 1067072686 /nfs/dbraw/zinc/07/26/86/1067072686.db2.gz KTMQNFOGPKZXOH-RBBKRZOGSA-N 1 1 457.619 3.372 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[NH+]2CCOCC2)c1C ZINC001304026644 1067073821 /nfs/dbraw/zinc/07/38/21/1067073821.db2.gz TWQPEALVWHNVMR-HSZRJFAPSA-N 1 1 498.672 3.062 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001304028429 1067075720 /nfs/dbraw/zinc/07/57/20/1067075720.db2.gz FNIRQFHOFJHTNI-VXKWHMMOSA-N 1 1 468.646 3.482 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2CCC[NH+]2CCOCC2)cc1C ZINC001304029141 1067076892 /nfs/dbraw/zinc/07/68/92/1067076892.db2.gz QUHRILOOFNWYTB-UHFFFAOYSA-N 1 1 452.603 3.416 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001304030908 1067078953 /nfs/dbraw/zinc/07/89/53/1067078953.db2.gz RCFRZMMTGBQVCK-FCHUYYIVSA-N 1 1 468.646 3.339 20 0 JGADMO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302485343 1067084523 /nfs/dbraw/zinc/08/45/23/1067084523.db2.gz JBFKNMQYDNGIPC-IBGZPJMESA-N 1 1 474.675 3.110 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001302486768 1067086035 /nfs/dbraw/zinc/08/60/35/1067086035.db2.gz IMZPQSBGIXRVFY-RUZDIDTESA-N 1 1 489.064 3.140 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001302486768 1067086053 /nfs/dbraw/zinc/08/60/53/1067086053.db2.gz IMZPQSBGIXRVFY-RUZDIDTESA-N 1 1 489.064 3.140 20 0 JGADMO CC(C)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001302489558 1067090395 /nfs/dbraw/zinc/09/03/95/1067090395.db2.gz ZZCYRTZHGGXMDS-FYYLOGMGSA-N 1 1 471.646 3.374 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302489862 1067090783 /nfs/dbraw/zinc/09/07/83/1067090783.db2.gz WLROHBBQKLVRAT-WZONZLPQSA-N 1 1 492.462 3.273 20 0 JGADMO Cc1nc(CCn2c(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)sc1C ZINC001304048760 1067091508 /nfs/dbraw/zinc/09/15/08/1067091508.db2.gz BGPAHELAHXWCCA-OAQYLSRUSA-N 1 1 489.734 3.123 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302502048 1067099874 /nfs/dbraw/zinc/09/98/74/1067099874.db2.gz BCUKIEVTTDMRKL-JTSKRJEESA-N 1 1 484.428 3.092 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302502048 1067099890 /nfs/dbraw/zinc/09/98/90/1067099890.db2.gz BCUKIEVTTDMRKL-JTSKRJEESA-N 1 1 484.428 3.092 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302502050 1067099921 /nfs/dbraw/zinc/09/99/21/1067099921.db2.gz BCUKIEVTTDMRKL-VGSWGCGISA-N 1 1 484.428 3.092 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302502050 1067099935 /nfs/dbraw/zinc/09/99/35/1067099935.db2.gz BCUKIEVTTDMRKL-VGSWGCGISA-N 1 1 484.428 3.092 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302503092 1067102302 /nfs/dbraw/zinc/10/23/02/1067102302.db2.gz KPLJKTWNYNIUQY-RLWLMLJZSA-N 1 1 471.646 3.082 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302503092 1067102307 /nfs/dbraw/zinc/10/23/07/1067102307.db2.gz KPLJKTWNYNIUQY-RLWLMLJZSA-N 1 1 471.646 3.082 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nnc1C(C)(C)C ZINC001302503600 1067103627 /nfs/dbraw/zinc/10/36/27/1067103627.db2.gz NKIRELLRTRKWQB-VWLOTQADSA-N 1 1 457.619 3.076 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001302506779 1067109866 /nfs/dbraw/zinc/10/98/66/1067109866.db2.gz ZQTLKSLHCRAYFB-AREMUKBSSA-N 1 1 496.681 3.389 20 0 JGADMO Cc1ccsc1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304065678 1067110483 /nfs/dbraw/zinc/11/04/83/1067110483.db2.gz OBRPSYBXERGZCZ-UHFFFAOYSA-N 1 1 497.669 3.333 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001302509842 1067116713 /nfs/dbraw/zinc/11/67/13/1067116713.db2.gz HRAYSIFYPQNDMA-NRFANRHFSA-N 1 1 489.753 3.270 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001302509842 1067116716 /nfs/dbraw/zinc/11/67/16/1067116716.db2.gz HRAYSIFYPQNDMA-NRFANRHFSA-N 1 1 489.753 3.270 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001302509842 1067116721 /nfs/dbraw/zinc/11/67/21/1067116721.db2.gz HRAYSIFYPQNDMA-NRFANRHFSA-N 1 1 489.753 3.270 20 0 JGADMO C[S@@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001302511423 1067121772 /nfs/dbraw/zinc/12/17/72/1067121772.db2.gz SJMCTXHHWRMIDK-DHYKOVJISA-N 1 1 473.687 3.095 20 0 JGADMO Cc1c(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cnn1C ZINC001304091353 1067134000 /nfs/dbraw/zinc/13/40/00/1067134000.db2.gz BLUPUECOVXIBPQ-JOCHJYFZSA-N 1 1 450.635 3.310 20 0 JGADMO Cc1c(CN(C)c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)cnn1C ZINC001304092150 1067135685 /nfs/dbraw/zinc/13/56/85/1067135685.db2.gz RHUJCLYEHKCBGR-IBGZPJMESA-N 1 1 469.609 3.187 20 0 JGADMO Cc1occc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304097239 1067138323 /nfs/dbraw/zinc/13/83/23/1067138323.db2.gz JSYVJWILYLWWHR-HDICACEKSA-N 1 1 486.642 3.307 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001302519383 1067139689 /nfs/dbraw/zinc/13/96/89/1067139689.db2.gz NEAZLDNFPGRPNT-HBFSDRIKSA-N 1 1 457.623 3.495 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302523940 1067145163 /nfs/dbraw/zinc/14/51/63/1067145163.db2.gz MGDROEXYNSBCCH-UXHICEINSA-N 1 1 464.655 3.252 20 0 JGADMO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001302525073 1067146535 /nfs/dbraw/zinc/14/65/35/1067146535.db2.gz ANEFTCFATCQADJ-QYZOEREBSA-N 1 1 494.706 3.401 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCOCC1 ZINC001302525917 1067149900 /nfs/dbraw/zinc/14/99/00/1067149900.db2.gz QDCNKQMKEFXZFO-JOCHJYFZSA-N 1 1 482.654 3.023 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001302526573 1067151725 /nfs/dbraw/zinc/15/17/25/1067151725.db2.gz WHAQPBFVVBTJND-LPHOPBHVSA-N 1 1 458.434 3.428 20 0 JGADMO CSC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302528086 1067155561 /nfs/dbraw/zinc/15/55/61/1067155561.db2.gz UZRJBSNQEQOTRO-QGZVFWFLSA-N 1 1 465.614 3.447 20 0 JGADMO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccco1)[NH+]1CCOCC1 ZINC001302528637 1067156447 /nfs/dbraw/zinc/15/64/47/1067156447.db2.gz KPBJRSMQYPCNGA-MOPGFXCFSA-N 1 1 486.642 3.417 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001302529501 1067158980 /nfs/dbraw/zinc/15/89/80/1067158980.db2.gz YQQMLAXOZIEWNE-FPOVZHCZSA-N 1 1 476.666 3.033 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001302531666 1067160608 /nfs/dbraw/zinc/16/06/08/1067160608.db2.gz NKSIBJOTHUZSOQ-OEMFJLHTSA-N 1 1 498.672 3.142 20 0 JGADMO CSC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302534949 1067164526 /nfs/dbraw/zinc/16/45/26/1067164526.db2.gz QYXRFHIOQVTGQC-KRWDZBQOSA-N 1 1 496.475 3.282 20 0 JGADMO CSC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302534949 1067164531 /nfs/dbraw/zinc/16/45/31/1067164531.db2.gz QYXRFHIOQVTGQC-KRWDZBQOSA-N 1 1 496.475 3.282 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304138480 1067178752 /nfs/dbraw/zinc/17/87/52/1067178752.db2.gz FUFQEVVVJDAVSO-UUOWRZLLSA-N 1 1 488.036 3.125 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOCC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001304144631 1067187163 /nfs/dbraw/zinc/18/71/63/1067187163.db2.gz RTHKQBVNACKNFN-FXAWDEMLSA-N 1 1 478.037 3.493 20 0 JGADMO Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c(C)o1 ZINC001304147187 1067192015 /nfs/dbraw/zinc/19/20/15/1067192015.db2.gz ONSNAHJIWPNKQI-AMGIVPHBSA-N 1 1 497.640 3.081 20 0 JGADMO CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302557350 1067196318 /nfs/dbraw/zinc/19/63/18/1067196318.db2.gz FOTXASRETKFKRX-BBWFWOEESA-N 1 1 453.603 3.444 20 0 JGADMO CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302557350 1067196321 /nfs/dbraw/zinc/19/63/21/1067196321.db2.gz FOTXASRETKFKRX-BBWFWOEESA-N 1 1 453.603 3.444 20 0 JGADMO CC(C)c1nnc([C@@H]2CN(c3nnc(Cc4ccccc4F)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001302561759 1067201767 /nfs/dbraw/zinc/20/17/67/1067201767.db2.gz IOFOLCGQOASUJJ-FQEVSTJZSA-N 1 1 471.581 3.433 20 0 JGADMO CS[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001302566863 1067206223 /nfs/dbraw/zinc/20/62/23/1067206223.db2.gz PLVHLJWCTFBPLT-MRXNPFEDSA-N 1 1 476.697 3.405 20 0 JGADMO CS[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001302568717 1067208216 /nfs/dbraw/zinc/20/82/16/1067208216.db2.gz YEVHJLMAXQXVNQ-LJQANCHMSA-N 1 1 457.623 3.353 20 0 JGADMO CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001302570292 1067209793 /nfs/dbraw/zinc/20/97/93/1067209793.db2.gz SOODWDVXPXGTGX-SFHVURJKSA-N 1 1 477.748 3.380 20 0 JGADMO CS[C@H](C)Cn1c(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001302570959 1067210133 /nfs/dbraw/zinc/21/01/33/1067210133.db2.gz UGYQYCHLKWPMKB-WTEVXDJOSA-N 1 1 494.750 3.065 20 0 JGADMO CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)C1 ZINC001304166469 1067212823 /nfs/dbraw/zinc/21/28/23/1067212823.db2.gz XTMFEMHSJDFTKQ-DEOSSOPVSA-N 1 1 458.647 3.205 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccccn3)n2CCC[NH+]2CCOCC2)c1 ZINC001304168159 1067214743 /nfs/dbraw/zinc/21/47/43/1067214743.db2.gz DVAIPCPPFHKPAR-UHFFFAOYSA-N 1 1 450.587 3.228 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@H]2CCOC2)c1 ZINC001304168417 1067215715 /nfs/dbraw/zinc/21/57/15/1067215715.db2.gz GRJGHZPIDORKFA-ZRBLBEILSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@H]2CCOC2)c1 ZINC001304168417 1067215725 /nfs/dbraw/zinc/21/57/25/1067215725.db2.gz GRJGHZPIDORKFA-ZRBLBEILSA-N 1 1 471.646 3.446 20 0 JGADMO CS[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1)C(C)(C)C ZINC001302579567 1067217121 /nfs/dbraw/zinc/21/71/21/1067217121.db2.gz JXPUBESVMGFNAQ-IBGZPJMESA-N 1 1 489.690 3.250 20 0 JGADMO CS[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001302582347 1067221634 /nfs/dbraw/zinc/22/16/34/1067221634.db2.gz VAJCMUIPJGCGGT-SFHVURJKSA-N 1 1 489.690 3.250 20 0 JGADMO CS[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001302582347 1067221642 /nfs/dbraw/zinc/22/16/42/1067221642.db2.gz VAJCMUIPJGCGGT-SFHVURJKSA-N 1 1 489.690 3.250 20 0 JGADMO CC(C)c1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302584317 1067222907 /nfs/dbraw/zinc/22/29/07/1067222907.db2.gz CVDYJCLPSRHZNQ-FCHUYYIVSA-N 1 1 459.660 3.185 20 0 JGADMO CC(C)c1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302584323 1067223317 /nfs/dbraw/zinc/22/33/17/1067223317.db2.gz CVDYJCLPSRHZNQ-YADHBBJMSA-N 1 1 459.660 3.185 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001304175585 1067224629 /nfs/dbraw/zinc/22/46/29/1067224629.db2.gz VSNDEGLIGZMYFD-QFIPXVFZSA-N 1 1 466.413 3.440 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC(=O)NC(C)C)c1 ZINC001304179845 1067229268 /nfs/dbraw/zinc/22/92/68/1067229268.db2.gz ZHKIIPHFHHQZON-UHFFFAOYSA-N 1 1 456.635 3.309 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CCCO2)c1 ZINC001304181614 1067230315 /nfs/dbraw/zinc/23/03/15/1067230315.db2.gz HAIUQHVVRBUHAO-JOCHJYFZSA-N 1 1 457.619 3.200 20 0 JGADMO CC(C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302593271 1067231636 /nfs/dbraw/zinc/23/16/36/1067231636.db2.gz MAPWBLAZTIPELW-DEOSSOPVSA-N 1 1 484.689 3.240 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001302594946 1067232797 /nfs/dbraw/zinc/23/27/97/1067232797.db2.gz MPFPWPJZCSUPSL-KDURUIRLSA-N 1 1 457.623 3.089 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001302594946 1067232804 /nfs/dbraw/zinc/23/28/04/1067232804.db2.gz MPFPWPJZCSUPSL-KDURUIRLSA-N 1 1 457.623 3.089 20 0 JGADMO CC(C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)CC[N@H+]1C ZINC001302600988 1067237358 /nfs/dbraw/zinc/23/73/58/1067237358.db2.gz QXQFLVIQTJOBQE-UZUQRXQVSA-N 1 1 459.587 3.378 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302606423 1067240891 /nfs/dbraw/zinc/24/08/91/1067240891.db2.gz CPKZSSVNOMNNIY-FYYLOGMGSA-N 1 1 468.646 3.128 20 0 JGADMO Cc1cc(C)nc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)Cc3ccccc3)CC2)n1 ZINC001304192032 1067242618 /nfs/dbraw/zinc/24/26/18/1067242618.db2.gz WSBIHZHSWDNYGP-UHFFFAOYSA-N 1 1 462.646 3.441 20 0 JGADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC001302611718 1067245336 /nfs/dbraw/zinc/24/53/36/1067245336.db2.gz ZXOFQBNSHSTYNW-ILBGXUMGSA-N 1 1 451.611 3.465 20 0 JGADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)C1 ZINC001302611718 1067245343 /nfs/dbraw/zinc/24/53/43/1067245343.db2.gz ZXOFQBNSHSTYNW-ILBGXUMGSA-N 1 1 451.611 3.465 20 0 JGADMO CSC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@@](C)([NH+]3CCOCC3)C2)CCOCC1 ZINC001302612353 1067245867 /nfs/dbraw/zinc/24/58/67/1067245867.db2.gz WORYWZDMUUKXNZ-JOCHJYFZSA-N 1 1 451.681 3.080 20 0 JGADMO CC(C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001302615959 1067249516 /nfs/dbraw/zinc/24/95/16/1067249516.db2.gz VQVHQHMIWHXETA-RUZDIDTESA-N 1 1 474.650 3.270 20 0 JGADMO CC(C)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001302628182 1067258545 /nfs/dbraw/zinc/25/85/45/1067258545.db2.gz KRMVKSNUFCLIRY-YADHBBJMSA-N 1 1 476.616 3.468 20 0 JGADMO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302633088 1067262100 /nfs/dbraw/zinc/26/21/00/1067262100.db2.gz KORYLAPYZSSCSS-QHCPKHFHSA-N 1 1 486.636 3.176 20 0 JGADMO CC(C)c1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302639327 1067268661 /nfs/dbraw/zinc/26/86/61/1067268661.db2.gz ZXHHMYYEKUHPSZ-ZJSXRUAMSA-N 1 1 462.038 3.086 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCOC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304232450 1067270122 /nfs/dbraw/zinc/27/01/22/1067270122.db2.gz QYGOBSOHYFZDAS-NLFFAJNJSA-N 1 1 492.064 3.181 20 0 JGADMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C)C(=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001304232944 1067271124 /nfs/dbraw/zinc/27/11/24/1067271124.db2.gz PCYRKTGJUIABFI-UHFFFAOYSA-N 1 1 489.064 3.404 20 0 JGADMO Cc1cc(F)ccc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001304236497 1067274879 /nfs/dbraw/zinc/27/48/79/1067274879.db2.gz HARVNHLAQWVAEY-JOCHJYFZSA-N 1 1 491.677 3.427 20 0 JGADMO Cc1cc(N2CCN(c3nnc(Cc4ccncc4)n3CC[N@H+](C)C(C)C)CC2)nc(C(C)C)n1 ZINC001304245142 1067280095 /nfs/dbraw/zinc/28/00/95/1067280095.db2.gz IHCLAALXBIAAMW-UHFFFAOYSA-N 1 1 477.661 3.153 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304250221 1067285347 /nfs/dbraw/zinc/28/53/47/1067285347.db2.gz OYKMGJCDGZMOLO-SZPZYZBQSA-N 1 1 498.672 3.226 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304250221 1067285353 /nfs/dbraw/zinc/28/53/53/1067285353.db2.gz OYKMGJCDGZMOLO-SZPZYZBQSA-N 1 1 498.672 3.226 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001304251139 1067286399 /nfs/dbraw/zinc/28/63/99/1067286399.db2.gz WNMXAGMFAIJZIF-NRFANRHFSA-N 1 1 456.635 3.360 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302661205 1067288460 /nfs/dbraw/zinc/28/84/60/1067288460.db2.gz SFRPMCVTHPTBFV-NHCUHLMSSA-N 1 1 480.723 3.353 20 0 JGADMO CC(C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302664386 1067291433 /nfs/dbraw/zinc/29/14/33/1067291433.db2.gz IZBCYUPMUBTDRM-HSZRJFAPSA-N 1 1 481.689 3.057 20 0 JGADMO Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)cc1 ZINC001304259724 1067294003 /nfs/dbraw/zinc/29/40/03/1067294003.db2.gz GNVNRVRYJQOFJE-UHFFFAOYSA-N 1 1 482.673 3.248 20 0 JGADMO Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)cc1 ZINC001304259724 1067294011 /nfs/dbraw/zinc/29/40/11/1067294011.db2.gz GNVNRVRYJQOFJE-UHFFFAOYSA-N 1 1 482.673 3.248 20 0 JGADMO Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCOCC3)CC2)s1 ZINC001304259973 1067294633 /nfs/dbraw/zinc/29/46/33/1067294633.db2.gz IKHSKBDFMKVZAA-UHFFFAOYSA-N 1 1 488.702 3.358 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302673193 1067298756 /nfs/dbraw/zinc/29/87/56/1067298756.db2.gz BZLAOUZAXIIEIR-UHFFFAOYSA-N 1 1 487.737 3.294 20 0 JGADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC001302673224 1067298959 /nfs/dbraw/zinc/29/89/59/1067298959.db2.gz KTLVLKRSARYUSN-XZOQPEGZSA-N 1 1 453.583 3.419 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304267863 1067300613 /nfs/dbraw/zinc/30/06/13/1067300613.db2.gz BDCRAIDEXOHPAK-AREMUKBSSA-N 1 1 468.646 3.346 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001302675532 1067301040 /nfs/dbraw/zinc/30/10/40/1067301040.db2.gz XKFHOHLLLXSOCS-UHFFFAOYSA-N 1 1 453.635 3.414 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001304268177 1067301430 /nfs/dbraw/zinc/30/14/30/1067301430.db2.gz GORGFHFFKCODHX-RBUKOAKNSA-N 1 1 454.619 3.083 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302676196 1067301600 /nfs/dbraw/zinc/30/16/00/1067301600.db2.gz BJNRREBVDUGBMT-YDIMBITNSA-N 1 1 494.706 3.139 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302678552 1067304328 /nfs/dbraw/zinc/30/43/28/1067304328.db2.gz OKOAVDPOHPNYCW-YADHBBJMSA-N 1 1 458.676 3.223 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001302679806 1067305676 /nfs/dbraw/zinc/30/56/76/1067305676.db2.gz XYSKELBZUCVKNG-OAQYLSRUSA-N 1 1 463.623 3.440 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302681836 1067307777 /nfs/dbraw/zinc/30/77/77/1067307777.db2.gz MWSRJVBUPAUVPG-FCHUYYIVSA-N 1 1 458.676 3.223 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304273363 1067309987 /nfs/dbraw/zinc/30/99/87/1067309987.db2.gz LXVBECMICAKTNA-OAQYLSRUSA-N 1 1 498.672 3.067 20 0 JGADMO CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001302685706 1067310825 /nfs/dbraw/zinc/31/08/25/1067310825.db2.gz NPPASRUFIGQWIZ-UHFFFAOYSA-N 1 1 452.582 3.179 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001304275183 1067312959 /nfs/dbraw/zinc/31/29/59/1067312959.db2.gz UELUDNBTKZCLDJ-IBGZPJMESA-N 1 1 465.602 3.161 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001302688561 1067313260 /nfs/dbraw/zinc/31/32/60/1067313260.db2.gz AWOLBFCYNSVFLI-DHIUTWEWSA-N 1 1 473.710 3.189 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CC(=O)N(C)C)c1 ZINC001304276209 1067314426 /nfs/dbraw/zinc/31/44/26/1067314426.db2.gz ZEEQBBGCPXXBJN-NRFANRHFSA-N 1 1 498.672 3.067 20 0 JGADMO CSCc1cccc(Cn2c(CC(C)C)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)c1 ZINC001302689857 1067314628 /nfs/dbraw/zinc/31/46/28/1067314628.db2.gz NAPCLSJLKAHWEP-RDPSFJRHSA-N 1 1 484.714 3.377 20 0 JGADMO Cc1ccc([C@@H](Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001304278692 1067319173 /nfs/dbraw/zinc/31/91/73/1067319173.db2.gz VKRLVUYGQCXHRS-OAQYLSRUSA-N 1 1 458.651 3.471 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302695166 1067320761 /nfs/dbraw/zinc/32/07/61/1067320761.db2.gz XZDXYVCHIVKMAT-PGRDOPGGSA-N 1 1 486.686 3.447 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302695629 1067320984 /nfs/dbraw/zinc/32/09/84/1067320984.db2.gz HTUYPUGBKCSBBP-KRWDZBQOSA-N 1 1 496.523 3.394 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302695629 1067320998 /nfs/dbraw/zinc/32/09/98/1067320998.db2.gz HTUYPUGBKCSBBP-KRWDZBQOSA-N 1 1 496.523 3.394 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302695629 1067321010 /nfs/dbraw/zinc/32/10/10/1067321010.db2.gz HTUYPUGBKCSBBP-KRWDZBQOSA-N 1 1 496.523 3.394 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302696503 1067321863 /nfs/dbraw/zinc/32/18/63/1067321863.db2.gz PDMQTNSGZYTMNX-IRXDYDNUSA-N 1 1 483.480 3.214 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302697857 1067323570 /nfs/dbraw/zinc/32/35/70/1067323570.db2.gz BJAYRMQFHGXEGZ-PZJWPPBQSA-N 1 1 479.572 3.428 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCOC2)c1 ZINC001304283845 1067325126 /nfs/dbraw/zinc/32/51/26/1067325126.db2.gz MSAUYZVUGHYUTG-JOCHJYFZSA-N 1 1 471.646 3.305 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302704764 1067327077 /nfs/dbraw/zinc/32/70/77/1067327077.db2.gz NNRBRLJARANMMM-GHTZIAJQSA-N 1 1 454.402 3.353 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H]2CCCn3cc[nH+]c32)c1 ZINC001304286002 1067327562 /nfs/dbraw/zinc/32/75/62/1067327562.db2.gz KRJJQAIUJQGMCZ-OAQYLSRUSA-N 1 1 479.629 3.456 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1CCOCC1 ZINC001302708169 1067329714 /nfs/dbraw/zinc/32/97/14/1067329714.db2.gz VOPKDQZIOJMTFW-QGZVFWFLSA-N 1 1 451.587 3.201 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302709335 1067331198 /nfs/dbraw/zinc/33/11/98/1067331198.db2.gz LZVSKMAUCFZJKC-LJQANCHMSA-N 1 1 463.623 3.439 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001302709335 1067331210 /nfs/dbraw/zinc/33/12/10/1067331210.db2.gz LZVSKMAUCFZJKC-LJQANCHMSA-N 1 1 463.623 3.439 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302715940 1067334439 /nfs/dbraw/zinc/33/44/39/1067334439.db2.gz UAKDTSMJLNNUIH-QFIPXVFZSA-N 1 1 484.645 3.385 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001302720399 1067336227 /nfs/dbraw/zinc/33/62/27/1067336227.db2.gz ARIWRLFVZQSFSO-KRWDZBQOSA-N 1 1 465.067 3.340 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001304290219 1067336701 /nfs/dbraw/zinc/33/67/01/1067336701.db2.gz AUGHFBNTPAREPC-QFIPXVFZSA-N 1 1 471.646 3.326 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1 ZINC001302720740 1067336889 /nfs/dbraw/zinc/33/68/89/1067336889.db2.gz BFIJUCYPDOFYIF-CTNGQTDRSA-N 1 1 454.958 3.244 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CCC(=O)N(C)C)c1 ZINC001304291147 1067338760 /nfs/dbraw/zinc/33/87/60/1067338760.db2.gz KVIQVFFPDYJOSN-UHFFFAOYSA-N 1 1 482.654 3.336 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(CCOc4ccccc4Cl)C3)C2)cc1 ZINC001302723899 1067338963 /nfs/dbraw/zinc/33/89/63/1067338963.db2.gz NTQCFJYEICEKBX-SFTDATJTSA-N 1 1 455.986 3.266 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302724115 1067339498 /nfs/dbraw/zinc/33/94/98/1067339498.db2.gz PDXPTAXDLRVDLF-PGRDOPGGSA-N 1 1 462.689 3.126 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302724027 1067339524 /nfs/dbraw/zinc/33/95/24/1067339524.db2.gz OBFOCTJHJIOUEF-ROUUACIJSA-N 1 1 478.663 3.085 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001304292944 1067341972 /nfs/dbraw/zinc/34/19/72/1067341972.db2.gz YMGZPYRPFCGBJE-GOSISDBHSA-N 1 1 485.576 3.290 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001304292944 1067341982 /nfs/dbraw/zinc/34/19/82/1067341982.db2.gz YMGZPYRPFCGBJE-GOSISDBHSA-N 1 1 485.576 3.290 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302727544 1067343216 /nfs/dbraw/zinc/34/32/16/1067343216.db2.gz RCASBGJVLUBXDU-DENIHFKCSA-N 1 1 459.660 3.240 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304294456 1067343882 /nfs/dbraw/zinc/34/38/82/1067343882.db2.gz QZCURSPANCHIHC-HXUWFJFHSA-N 1 1 453.591 3.308 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCCc2nnc(C)s2)o1 ZINC001304296604 1067345839 /nfs/dbraw/zinc/34/58/39/1067345839.db2.gz RZUIDJONLRMYMN-UHFFFAOYSA-N 1 1 473.647 3.434 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC001304297589 1067346981 /nfs/dbraw/zinc/34/69/81/1067346981.db2.gz OFLDWXZRMRWNIJ-MSOLQXFVSA-N 1 1 477.606 3.375 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC001304297589 1067346993 /nfs/dbraw/zinc/34/69/93/1067346993.db2.gz OFLDWXZRMRWNIJ-MSOLQXFVSA-N 1 1 477.606 3.375 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC001304298914 1067348597 /nfs/dbraw/zinc/34/85/97/1067348597.db2.gz VMYMVHAHBHGQJG-SFHVURJKSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC001304298914 1067348610 /nfs/dbraw/zinc/34/86/10/1067348610.db2.gz VMYMVHAHBHGQJG-SFHVURJKSA-N 1 1 478.435 3.352 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(C(=O)N(C)C)CCCC2)o1 ZINC001304303999 1067351812 /nfs/dbraw/zinc/35/18/12/1067351812.db2.gz FSCXULNINYHQNT-BGYRXZFFSA-N 1 1 472.634 3.041 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(C(=O)N(C)C)CCCC2)o1 ZINC001304303999 1067351822 /nfs/dbraw/zinc/35/18/22/1067351822.db2.gz FSCXULNINYHQNT-BGYRXZFFSA-N 1 1 472.634 3.041 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302743237 1067352565 /nfs/dbraw/zinc/35/25/65/1067352565.db2.gz JYWFZUZWTXKPQH-LEWJYISDSA-N 1 1 458.676 3.498 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC(C)(C)O)cc1Br ZINC001304304475 1067352701 /nfs/dbraw/zinc/35/27/01/1067352701.db2.gz MVNYOOZOSCIIMF-UHFFFAOYSA-N 1 1 480.451 3.334 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC(C)(C)O)cc1Br ZINC001304304475 1067352705 /nfs/dbraw/zinc/35/27/05/1067352705.db2.gz MVNYOOZOSCIIMF-UHFFFAOYSA-N 1 1 480.451 3.334 20 0 JGADMO CSCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001302743604 1067353020 /nfs/dbraw/zinc/35/30/20/1067353020.db2.gz WWNJNQJHNBUONM-IBGZPJMESA-N 1 1 487.674 3.148 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1Br ZINC001304310628 1067358244 /nfs/dbraw/zinc/35/82/44/1067358244.db2.gz ZRVPYTBVSNQJDD-NSHGMRRFSA-N 1 1 492.462 3.476 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304311420 1067358860 /nfs/dbraw/zinc/35/88/60/1067358860.db2.gz LQQNWBNJOWUGNE-AVRWGWEMSA-N 1 1 450.587 3.459 20 0 JGADMO CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001302754316 1067359131 /nfs/dbraw/zinc/35/91/31/1067359131.db2.gz HJOFFZFFYDYNQO-UHFFFAOYSA-N 1 1 471.656 3.452 20 0 JGADMO CSCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302754043 1067359200 /nfs/dbraw/zinc/35/92/00/1067359200.db2.gz PUHRNIQTLDTGIE-GOSISDBHSA-N 1 1 466.449 3.372 20 0 JGADMO CSCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302754043 1067359209 /nfs/dbraw/zinc/35/92/09/1067359209.db2.gz PUHRNIQTLDTGIE-GOSISDBHSA-N 1 1 466.449 3.372 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)o1 ZINC001304318638 1067366208 /nfs/dbraw/zinc/36/62/08/1067366208.db2.gz RPMHOMZQJSNEEU-UHFFFAOYSA-N 1 1 480.613 3.282 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)o1 ZINC001304320122 1067367466 /nfs/dbraw/zinc/36/74/66/1067367466.db2.gz IKTUBLBXJZZRHX-HXUWFJFHSA-N 1 1 486.661 3.336 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)CCS1 ZINC001302770868 1067368858 /nfs/dbraw/zinc/36/88/58/1067368858.db2.gz RQJYINHPQWQAEN-LJQANCHMSA-N 1 1 497.507 3.346 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)o1 ZINC001304322073 1067369575 /nfs/dbraw/zinc/36/95/75/1067369575.db2.gz LTQOPDNTFOORKL-AZUAARDMSA-N 1 1 488.633 3.139 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CCCOCC(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H]2C)o1 ZINC001304324710 1067373108 /nfs/dbraw/zinc/37/31/08/1067373108.db2.gz QWHNHAWPKVBGBG-GOSISDBHSA-N 1 1 484.567 3.422 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CCCOCC(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H]2C)o1 ZINC001304324710 1067373121 /nfs/dbraw/zinc/37/31/21/1067373121.db2.gz QWHNHAWPKVBGBG-GOSISDBHSA-N 1 1 484.567 3.422 20 0 JGADMO CSCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001302784567 1067377308 /nfs/dbraw/zinc/37/73/08/1067377308.db2.gz RGTXHOOEPOPQDR-QFIPXVFZSA-N 1 1 469.659 3.250 20 0 JGADMO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302788397 1067379968 /nfs/dbraw/zinc/37/99/68/1067379968.db2.gz IGHAOAGUWYKJFZ-YADHBBJMSA-N 1 1 459.660 3.262 20 0 JGADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c(F)c1 ZINC001304345554 1067388227 /nfs/dbraw/zinc/38/82/27/1067388227.db2.gz MKENHNWRMNJTTI-NZQKXSOJSA-N 1 1 496.635 3.165 20 0 JGADMO CC(C)[C@H]1OCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302803927 1067392254 /nfs/dbraw/zinc/39/22/54/1067392254.db2.gz AWDPMGQSWZABGZ-LADGPHEKSA-N 1 1 470.662 3.262 20 0 JGADMO CC(C)[C@H]1OCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302803927 1067392264 /nfs/dbraw/zinc/39/22/64/1067392264.db2.gz AWDPMGQSWZABGZ-LADGPHEKSA-N 1 1 470.662 3.262 20 0 JGADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001304351732 1067392939 /nfs/dbraw/zinc/39/29/39/1067392939.db2.gz QBOFOWNFDLJWEI-ICSRJNTNSA-N 1 1 488.683 3.017 20 0 JGADMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001302805270 1067393263 /nfs/dbraw/zinc/39/32/63/1067393263.db2.gz HFQPGQPBKYVUDI-RDGATRHJSA-N 1 1 474.694 3.408 20 0 JGADMO CSCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001302814561 1067401397 /nfs/dbraw/zinc/40/13/97/1067401397.db2.gz SRELVBVCAIIIKW-ZVDOUQERSA-N 1 1 451.681 3.251 20 0 JGADMO CSCCCn1c(Cc2cccnc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001302815083 1067402311 /nfs/dbraw/zinc/40/23/11/1067402311.db2.gz HTZSCTDHSLCLJT-BGYRXZFFSA-N 1 1 458.676 3.343 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCOC2)cc1C ZINC001304374080 1067412553 /nfs/dbraw/zinc/41/25/53/1067412553.db2.gz AFFKYRYCELWEFQ-BHIFYINESA-N 1 1 484.645 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCOC2)cc1C ZINC001304374080 1067412557 /nfs/dbraw/zinc/41/25/57/1067412557.db2.gz AFFKYRYCELWEFQ-BHIFYINESA-N 1 1 484.645 3.119 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001304376382 1067417661 /nfs/dbraw/zinc/41/76/61/1067417661.db2.gz YBKXWXBMCHXUTJ-QFIPXVFZSA-N 1 1 454.619 3.230 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001304376381 1067417696 /nfs/dbraw/zinc/41/76/96/1067417696.db2.gz YBKXWXBMCHXUTJ-JOCHJYFZSA-N 1 1 454.619 3.230 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCC[NH+]2CCOCC2)cc1C ZINC001304379273 1067423843 /nfs/dbraw/zinc/42/38/43/1067423843.db2.gz RZSYPCHTBXUWGB-UHFFFAOYSA-N 1 1 484.645 3.263 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001304379923 1067425535 /nfs/dbraw/zinc/42/55/35/1067425535.db2.gz LTZFJDPXKOCIQS-QFIPXVFZSA-N 1 1 479.412 3.113 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001302840122 1067426476 /nfs/dbraw/zinc/42/64/76/1067426476.db2.gz SQAMRWJFLXUYBO-DBXWQHBBSA-N 1 1 465.689 3.245 20 0 JGADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001302840122 1067426479 /nfs/dbraw/zinc/42/64/79/1067426479.db2.gz SQAMRWJFLXUYBO-DBXWQHBBSA-N 1 1 465.689 3.245 20 0 JGADMO CC(C)Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ccc2c(c1)OCCCO2 ZINC001302839558 1067426510 /nfs/dbraw/zinc/42/65/10/1067426510.db2.gz FCNABPLKZHXSGT-UHFFFAOYSA-N 1 1 471.646 3.481 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001304380911 1067428787 /nfs/dbraw/zinc/42/87/87/1067428787.db2.gz YFSNWNBSNZVRTR-UHFFFAOYSA-N 1 1 483.661 3.228 20 0 JGADMO C[C@@H]1CCO[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001302844411 1067430322 /nfs/dbraw/zinc/43/03/22/1067430322.db2.gz HLFBXDMDGMBDCE-FYYLOGMGSA-N 1 1 455.647 3.425 20 0 JGADMO C[C@@H]1CCO[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001302844411 1067430325 /nfs/dbraw/zinc/43/03/25/1067430325.db2.gz HLFBXDMDGMBDCE-FYYLOGMGSA-N 1 1 455.647 3.425 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2CC[N@H+](C)C2CCCC2)cc1C ZINC001304383583 1067432951 /nfs/dbraw/zinc/43/29/51/1067432951.db2.gz MEAQTMHVMHWKMT-UHFFFAOYSA-N 1 1 489.615 3.409 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302849334 1067434596 /nfs/dbraw/zinc/43/45/96/1067434596.db2.gz WZPAMVXKOSPXLD-UHFFFAOYSA-N 1 1 465.646 3.469 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[S@@](=O)C(C)(C)C)cc1C ZINC001304384621 1067435808 /nfs/dbraw/zinc/43/58/08/1067435808.db2.gz RBGOJEFGFZCICV-MGBGTMOVSA-N 1 1 474.675 3.225 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C(F)(F)F ZINC001302856492 1067439569 /nfs/dbraw/zinc/43/95/69/1067439569.db2.gz QHGDSQSZJRGJBF-KBAYOESNSA-N 1 1 456.557 3.123 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOCC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001304387767 1067444553 /nfs/dbraw/zinc/44/45/53/1067444553.db2.gz YYKOVSWSNURBAD-IBGZPJMESA-N 1 1 454.619 3.496 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001304388657 1067447070 /nfs/dbraw/zinc/44/70/70/1067447070.db2.gz FCKYCHSXIMVWTB-NHCUHLMSSA-N 1 1 454.619 3.286 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCCO2)n1CCSCCCO ZINC001302866091 1067447279 /nfs/dbraw/zinc/44/72/79/1067447279.db2.gz IMWPIZMUDYPRTE-IRLDBZIGSA-N 1 1 459.660 3.346 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 ZINC001302867393 1067448443 /nfs/dbraw/zinc/44/84/43/1067448443.db2.gz UNIBDSQXBATZAK-MRXNPFEDSA-N 1 1 461.680 3.462 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304390383 1067450563 /nfs/dbraw/zinc/45/05/63/1067450563.db2.gz WJVJDRXNSJHNBD-QFIPXVFZSA-N 1 1 491.640 3.148 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001304391578 1067451330 /nfs/dbraw/zinc/45/13/30/1067451330.db2.gz BLISTXLBDJZYJG-PKTZIBPZSA-N 1 1 471.646 3.495 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001304396371 1067458305 /nfs/dbraw/zinc/45/83/05/1067458305.db2.gz MTHBOQCFKHDIJQ-UHFFFAOYSA-N 1 1 456.635 3.248 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001304399244 1067461913 /nfs/dbraw/zinc/46/19/13/1067461913.db2.gz XIOYXIBOETWGNJ-NJYVYQBISA-N 1 1 486.661 3.062 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001304406599 1067470226 /nfs/dbraw/zinc/47/02/26/1067470226.db2.gz SURISGIXWKTTGW-FCHUYYIVSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304408965 1067474418 /nfs/dbraw/zinc/47/44/18/1067474418.db2.gz YOBMUWSSJVDHAK-QNWVGRARSA-N 1 1 457.619 3.136 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001302895641 1067476399 /nfs/dbraw/zinc/47/63/99/1067476399.db2.gz VAKYPTDFLXBYGK-NRFANRHFSA-N 1 1 459.660 3.012 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC001304411001 1067478154 /nfs/dbraw/zinc/47/81/54/1067478154.db2.gz NLZPFMXRZAZDQE-RUZDIDTESA-N 1 1 484.689 3.489 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001304411629 1067479552 /nfs/dbraw/zinc/47/95/52/1067479552.db2.gz USXRYMIHMLCEMH-UHFFFAOYSA-N 1 1 479.629 3.420 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001304411593 1067479614 /nfs/dbraw/zinc/47/96/14/1067479614.db2.gz DTDBYTOUJWSXKW-UHFFFAOYSA-N 1 1 475.659 3.053 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001304414696 1067484784 /nfs/dbraw/zinc/48/47/84/1067484784.db2.gz IUXNMVSEGBKUCX-QFIPXVFZSA-N 1 1 468.646 3.263 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(CCc4ccccc4)n3CC(C)(C)O)CC2)C[C@H](C)O1 ZINC001302901523 1067485568 /nfs/dbraw/zinc/48/55/68/1067485568.db2.gz LCWXHVIUYMEIHE-OYRHEFFESA-N 1 1 455.647 3.160 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(C4CCC4)n3CCC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302902230 1067487036 /nfs/dbraw/zinc/48/70/36/1067487036.db2.gz ZKZULGYXUMAHHJ-KDURUIRLSA-N 1 1 460.667 3.176 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC(=O)NC2CC2)cc1 ZINC001304416982 1067489182 /nfs/dbraw/zinc/48/91/82/1067489182.db2.gz RJVUMDOEMWIMCX-UHFFFAOYSA-N 1 1 454.619 3.145 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2CCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC001302904899 1067489289 /nfs/dbraw/zinc/48/92/89/1067489289.db2.gz CLEJQVKTTGTMJX-HDICACEKSA-N 1 1 455.994 3.177 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2CCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC001302904899 1067489291 /nfs/dbraw/zinc/48/92/91/1067489291.db2.gz CLEJQVKTTGTMJX-HDICACEKSA-N 1 1 455.994 3.177 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC001302905243 1067489769 /nfs/dbraw/zinc/48/97/69/1067489769.db2.gz IKKBVARPQPNRLY-WSTZPKSXSA-N 1 1 497.562 3.317 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC001302905243 1067489776 /nfs/dbraw/zinc/48/97/76/1067489776.db2.gz IKKBVARPQPNRLY-WSTZPKSXSA-N 1 1 497.562 3.317 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@H](C)O1 ZINC001302905298 1067490267 /nfs/dbraw/zinc/49/02/67/1067490267.db2.gz KDCJZCIFVWBABO-JKSBSHDWSA-N 1 1 467.536 3.151 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@H](C)O1 ZINC001302905298 1067490272 /nfs/dbraw/zinc/49/02/72/1067490272.db2.gz KDCJZCIFVWBABO-JKSBSHDWSA-N 1 1 467.536 3.151 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2CCOc2ncccc2F)C[C@H](C)O1 ZINC001302907660 1067491907 /nfs/dbraw/zinc/49/19/07/1067491907.db2.gz DYGPPSWREPKJLE-KDURUIRLSA-N 1 1 486.567 3.167 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2CCOc2ncccc2F)C[C@H](C)O1 ZINC001302907660 1067491908 /nfs/dbraw/zinc/49/19/08/1067491908.db2.gz DYGPPSWREPKJLE-KDURUIRLSA-N 1 1 486.567 3.167 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nccn2C(F)F)C[C@H](C)O1 ZINC001302907704 1067492452 /nfs/dbraw/zinc/49/24/52/1067492452.db2.gz GIJXNZSPQKKBKX-AJYBTWMASA-N 1 1 495.619 3.382 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nccn2C(F)F)C[C@H](C)O1 ZINC001302907704 1067492456 /nfs/dbraw/zinc/49/24/56/1067492456.db2.gz GIJXNZSPQKKBKX-AJYBTWMASA-N 1 1 495.619 3.382 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CC(=O)NC(C)C)cc1C ZINC001304418695 1067493257 /nfs/dbraw/zinc/49/32/57/1067493257.db2.gz KGPYNUWXVZIBEQ-UHFFFAOYSA-N 1 1 482.654 3.382 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC001302908937 1067493511 /nfs/dbraw/zinc/49/35/11/1067493511.db2.gz NTNCTUKWSCBLBF-KDURUIRLSA-N 1 1 491.080 3.230 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC001302908937 1067493514 /nfs/dbraw/zinc/49/35/14/1067493514.db2.gz NTNCTUKWSCBLBF-KDURUIRLSA-N 1 1 491.080 3.230 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001302909035 1067494007 /nfs/dbraw/zinc/49/40/07/1067494007.db2.gz PSENDVHXQURVLW-SZPZYZBQSA-N 1 1 477.657 3.118 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001302909035 1067494012 /nfs/dbraw/zinc/49/40/12/1067494012.db2.gz PSENDVHXQURVLW-SZPZYZBQSA-N 1 1 477.657 3.118 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304419327 1067494011 /nfs/dbraw/zinc/49/40/11/1067494011.db2.gz OCJLVSIVRCCOQJ-LJQANCHMSA-N 1 1 462.589 3.344 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC001304419690 1067494601 /nfs/dbraw/zinc/49/46/01/1067494601.db2.gz OZCTUHRLENYULG-RUZDIDTESA-N 1 1 484.689 3.300 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)C[C@H](C)O1 ZINC001302909662 1067495089 /nfs/dbraw/zinc/49/50/89/1067495089.db2.gz YAKDVLDQDNHLTC-WHYLIKKDSA-N 1 1 475.703 3.339 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)C[C@H](C)O1 ZINC001302909662 1067495091 /nfs/dbraw/zinc/49/50/91/1067495091.db2.gz YAKDVLDQDNHLTC-WHYLIKKDSA-N 1 1 475.703 3.339 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302909695 1067495202 /nfs/dbraw/zinc/49/52/02/1067495202.db2.gz YIZWJYUKOGSLLD-BVFVYWQFSA-N 1 1 499.059 3.370 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302909695 1067495205 /nfs/dbraw/zinc/49/52/05/1067495205.db2.gz YIZWJYUKOGSLLD-BVFVYWQFSA-N 1 1 499.059 3.370 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302911487 1067497102 /nfs/dbraw/zinc/49/71/02/1067497102.db2.gz WOCLZZDWKKEFFT-SNRMKQJTSA-N 1 1 461.010 3.189 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001304421724 1067497576 /nfs/dbraw/zinc/49/75/76/1067497576.db2.gz GEWSQNUAWHCTLB-LEWJYISDSA-N 1 1 459.660 3.262 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001304423947 1067500628 /nfs/dbraw/zinc/50/06/28/1067500628.db2.gz BWGMIQSHNFTMAT-IBGZPJMESA-N 1 1 451.493 3.195 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302921111 1067502060 /nfs/dbraw/zinc/50/20/60/1067502060.db2.gz VXCUNOXRKASPNZ-WWNPGLIZSA-N 1 1 452.647 3.479 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001302922211 1067502463 /nfs/dbraw/zinc/50/24/63/1067502463.db2.gz BGFFRYNIELZJOJ-JOCHJYFZSA-N 1 1 456.610 3.339 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001304425414 1067502548 /nfs/dbraw/zinc/50/25/48/1067502548.db2.gz PMYUQTBOQBXDNL-MQFAKOPTSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001304425414 1067502554 /nfs/dbraw/zinc/50/25/54/1067502554.db2.gz PMYUQTBOQBXDNL-MQFAKOPTSA-N 1 1 459.660 3.387 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2CCCCOc2ccc(C)cc2)CC1 ZINC001304425300 1067502640 /nfs/dbraw/zinc/50/26/40/1067502640.db2.gz LATPVMPKBOGXDG-UHFFFAOYSA-N 1 1 451.619 3.427 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304428488 1067505826 /nfs/dbraw/zinc/50/58/26/1067505826.db2.gz ISFHKEJPBUIHMT-LADGPHEKSA-N 1 1 471.646 3.353 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001302928770 1067506207 /nfs/dbraw/zinc/50/62/07/1067506207.db2.gz GQZQCJFUNSYKKO-JOCHJYFZSA-N 1 1 473.687 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001302928770 1067506216 /nfs/dbraw/zinc/50/62/16/1067506216.db2.gz GQZQCJFUNSYKKO-JOCHJYFZSA-N 1 1 473.687 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302932881 1067508227 /nfs/dbraw/zinc/50/82/27/1067508227.db2.gz FEORKRDXYHRCHB-UHFFFAOYSA-N 1 1 495.716 3.103 20 0 JGADMO Cc1c(CN(C)c2nnc(CSc3ccc(C)cc3)n2CCC[NH+]2CCOCC2)cnn1C ZINC001304431857 1067509988 /nfs/dbraw/zinc/50/99/88/1067509988.db2.gz LPLZDORSFNAQCP-UHFFFAOYSA-N 1 1 469.659 3.279 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304432589 1067511090 /nfs/dbraw/zinc/51/10/90/1067511090.db2.gz ZFWWLBFKKRRKAB-RTWAWAEBSA-N 1 1 459.660 3.461 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304432718 1067511478 /nfs/dbraw/zinc/51/14/78/1067511478.db2.gz DUSDPBPCWFDCJG-IRXDYDNUSA-N 1 1 482.576 3.230 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001302938597 1067512310 /nfs/dbraw/zinc/51/23/10/1067512310.db2.gz JESWKNFHSCEBIP-WXFUMESZSA-N 1 1 460.711 3.393 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001304434544 1067513872 /nfs/dbraw/zinc/51/38/72/1067513872.db2.gz WNAOOEDVKHJVAJ-QHAWAJNXSA-N 1 1 459.660 3.339 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001304436581 1067514977 /nfs/dbraw/zinc/51/49/77/1067514977.db2.gz FPLOECVRFNIIHA-UXHICEINSA-N 1 1 456.660 3.278 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1sccc1Br ZINC001302944785 1067517746 /nfs/dbraw/zinc/51/77/46/1067517746.db2.gz WTQKXLMMMNHECW-KRWDZBQOSA-N 1 1 495.491 3.092 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302945144 1067518029 /nfs/dbraw/zinc/51/80/29/1067518029.db2.gz FCXNZCDFAVLTFE-DEOSSOPVSA-N 1 1 498.672 3.292 20 0 JGADMO Cc1ccc(SCCn2c(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)nnc2C(C)(C)C)cc1 ZINC001304440320 1067520835 /nfs/dbraw/zinc/52/08/35/1067520835.db2.gz DDPWAHYCENCZSW-OAQYLSRUSA-N 1 1 470.687 3.419 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302947807 1067521183 /nfs/dbraw/zinc/52/11/83/1067521183.db2.gz VZNMDEQUMNVQQE-RTWAWAEBSA-N 1 1 478.682 3.423 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001302947826 1067521218 /nfs/dbraw/zinc/52/12/18/1067521218.db2.gz WGVGEMCXVOVFSA-UHFFFAOYSA-N 1 1 473.691 3.227 20 0 JGADMO FC(F)COCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302947889 1067521260 /nfs/dbraw/zinc/52/12/60/1067521260.db2.gz JMXXSLFCBVFYLH-QGZVFWFLSA-N 1 1 469.964 3.429 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302949918 1067523868 /nfs/dbraw/zinc/52/38/68/1067523868.db2.gz MLJBKQDYBKKCBC-QFIPXVFZSA-N 1 1 481.689 3.270 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302954021 1067525681 /nfs/dbraw/zinc/52/56/81/1067525681.db2.gz BSDQPBMEFUTXEI-FQEVSTJZSA-N 1 1 461.054 3.303 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1cccc(Br)n1 ZINC001302955948 1067528102 /nfs/dbraw/zinc/52/81/02/1067528102.db2.gz CLGAZOLKFKUCKB-KRWDZBQOSA-N 1 1 477.451 3.372 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001304448612 1067530393 /nfs/dbraw/zinc/53/03/93/1067530393.db2.gz SJCFCVBZDHREIL-JOCHJYFZSA-N 1 1 481.689 3.437 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302961111 1067532108 /nfs/dbraw/zinc/53/21/08/1067532108.db2.gz INCPEWIALRHVRB-UPVQGACJSA-N 1 1 454.663 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302961111 1067532110 /nfs/dbraw/zinc/53/21/10/1067532110.db2.gz INCPEWIALRHVRB-UPVQGACJSA-N 1 1 454.663 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001302965349 1067535273 /nfs/dbraw/zinc/53/52/73/1067535273.db2.gz RHGPQJQNRGKXOY-ZEQRLZLVSA-N 1 1 476.710 3.057 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302971674 1067539671 /nfs/dbraw/zinc/53/96/71/1067539671.db2.gz GMWAJCAJGNRMAW-CJFMBICVSA-N 1 1 462.683 3.061 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001304461477 1067540250 /nfs/dbraw/zinc/54/02/50/1067540250.db2.gz CXXQWPJYOSUPHG-UHFFFAOYSA-N 1 1 468.577 3.414 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302974570 1067541216 /nfs/dbraw/zinc/54/12/16/1067541216.db2.gz FYCXJOCMBQDVIJ-ZCNNSNEGSA-N 1 1 475.638 3.060 20 0 JGADMO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001304463096 1067541392 /nfs/dbraw/zinc/54/13/92/1067541392.db2.gz FVRCPGWFBFJLBZ-SFHVURJKSA-N 1 1 474.675 3.172 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302975473 1067541668 /nfs/dbraw/zinc/54/16/68/1067541668.db2.gz KOYNPGWCNAVLDT-PMACEKPBSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302977109 1067543073 /nfs/dbraw/zinc/54/30/73/1067543073.db2.gz RJZRMRRZZBKQBB-JWQCQUIFSA-N 1 1 485.673 3.398 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOCCC(C)C)n1 ZINC001304466517 1067544987 /nfs/dbraw/zinc/54/49/87/1067544987.db2.gz WAXFXCAVZGTISN-NZQKXSOJSA-N 1 1 456.635 3.258 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001304476149 1067554377 /nfs/dbraw/zinc/55/43/77/1067554377.db2.gz SLDGQBZOIGMTQA-NRFANRHFSA-N 1 1 474.675 3.317 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001304479599 1067559071 /nfs/dbraw/zinc/55/90/71/1067559071.db2.gz XRGOIXBHQMGZNY-LJQANCHMSA-N 1 1 457.623 3.482 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(Cc4cccc(F)c4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304479861 1067559302 /nfs/dbraw/zinc/55/93/02/1067559302.db2.gz DRNVCTOTYUPLKK-UHFFFAOYSA-N 1 1 451.594 3.450 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCCN(C)CC(F)(F)F)n1 ZINC001304481019 1067560741 /nfs/dbraw/zinc/56/07/41/1067560741.db2.gz XQACRWVFYPXMAZ-SFHVURJKSA-N 1 1 451.541 3.207 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001303010211 1067564912 /nfs/dbraw/zinc/56/49/12/1067564912.db2.gz UDHIWNVDJFASOX-CJFMBICVSA-N 1 1 459.610 3.430 20 0 JGADMO Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC001304495278 1067571525 /nfs/dbraw/zinc/57/15/25/1067571525.db2.gz AOXPZJBTWMOIHE-FUDKSRODSA-N 1 1 488.702 3.336 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001304497175 1067573167 /nfs/dbraw/zinc/57/31/67/1067573167.db2.gz ZPLUMKMSOKOKPG-UHFFFAOYSA-N 1 1 490.656 3.286 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001304497175 1067573173 /nfs/dbraw/zinc/57/31/73/1067573173.db2.gz ZPLUMKMSOKOKPG-UHFFFAOYSA-N 1 1 490.656 3.286 20 0 JGADMO Cc1cccc(N2CCN(c3nnc(CC(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)CC2)c1 ZINC001304498368 1067573461 /nfs/dbraw/zinc/57/34/61/1067573461.db2.gz UTMIRHSXPCCTLR-DEOSSOPVSA-N 1 1 454.663 3.349 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(N2CC[N@H+]3CCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303022889 1067575029 /nfs/dbraw/zinc/57/50/29/1067575029.db2.gz SFXCYQYICMEZIV-IEZKXTBUSA-N 1 1 463.667 3.180 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(N2CC[N@H+]3CCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303022888 1067575073 /nfs/dbraw/zinc/57/50/73/1067575073.db2.gz SFXCYQYICMEZIV-GVXSCFBNSA-N 1 1 463.667 3.180 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC3CC(F)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001304502341 1067576651 /nfs/dbraw/zinc/57/66/51/1067576651.db2.gz PKIODRZOLJHIAW-UHFFFAOYSA-N 1 1 458.626 3.376 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCC(=O)N2CCCCC2)c1 ZINC001304503756 1067577813 /nfs/dbraw/zinc/57/78/13/1067577813.db2.gz ISQPBNGIWGDPED-UHFFFAOYSA-N 1 1 498.672 3.115 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCC(=O)N2CCCCC2)c1 ZINC001304503756 1067577817 /nfs/dbraw/zinc/57/78/17/1067577817.db2.gz ISQPBNGIWGDPED-UHFFFAOYSA-N 1 1 498.672 3.115 20 0 JGADMO CC(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303031219 1067579557 /nfs/dbraw/zinc/57/95/57/1067579557.db2.gz CEWSUZGSJNBFHA-NRFANRHFSA-N 1 1 451.681 3.319 20 0 JGADMO CC(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303031220 1067579623 /nfs/dbraw/zinc/57/96/23/1067579623.db2.gz CEWSUZGSJNBFHA-OAQYLSRUSA-N 1 1 451.681 3.319 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2cccc(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001304509493 1067584115 /nfs/dbraw/zinc/58/41/15/1067584115.db2.gz RAEFAJLNTVKGMS-UHFFFAOYSA-N 1 1 465.602 3.065 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001304509535 1067584154 /nfs/dbraw/zinc/58/41/54/1067584154.db2.gz RSENMPOUFYRBIP-UHFFFAOYSA-N 1 1 464.614 3.141 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001304511378 1067586911 /nfs/dbraw/zinc/58/69/11/1067586911.db2.gz AMXSDCNVAQZOBA-WEZXKFLESA-N 1 1 459.660 3.387 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001304511378 1067586915 /nfs/dbraw/zinc/58/69/15/1067586915.db2.gz AMXSDCNVAQZOBA-WEZXKFLESA-N 1 1 459.660 3.387 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001304511491 1067587241 /nfs/dbraw/zinc/58/72/41/1067587241.db2.gz OYUNEPIWGGECHW-UHFFFAOYSA-N 1 1 465.602 3.065 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304511560 1067587500 /nfs/dbraw/zinc/58/75/00/1067587500.db2.gz FITAYJVCNNQCGX-FQEVSTJZSA-N 1 1 462.589 3.285 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001304511644 1067587509 /nfs/dbraw/zinc/58/75/09/1067587509.db2.gz QPXCXMVSPAOOFZ-UHFFFAOYSA-N 1 1 482.629 3.485 20 0 JGADMO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc2)cc1 ZINC001303049038 1067590333 /nfs/dbraw/zinc/59/03/33/1067590333.db2.gz AOGUYSYQBCCJRK-QHCPKHFHSA-N 1 1 451.567 3.208 20 0 JGADMO CC(C)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303049114 1067590425 /nfs/dbraw/zinc/59/04/25/1067590425.db2.gz CQUBNUUSCPAZSJ-VXKWHMMOSA-N 1 1 459.660 3.327 20 0 JGADMO CC(C)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303049114 1067590431 /nfs/dbraw/zinc/59/04/31/1067590431.db2.gz CQUBNUUSCPAZSJ-VXKWHMMOSA-N 1 1 459.660 3.327 20 0 JGADMO CC(C)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303053930 1067593665 /nfs/dbraw/zinc/59/36/65/1067593665.db2.gz KFTPGVJHBCYBQQ-OYRHEFFESA-N 1 1 453.635 3.498 20 0 JGADMO O=C(C1CCN(c2nnc(COc3ccccc3F)n2CCC[NH+]2CCOCC2)CC1)C(F)(F)F ZINC001303062832 1067598756 /nfs/dbraw/zinc/59/87/56/1067598756.db2.gz XNLVNDRTTJQISJ-UHFFFAOYSA-N 1 1 499.509 3.066 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001304529017 1067601069 /nfs/dbraw/zinc/60/10/69/1067601069.db2.gz QRDGHUDNQYWTMC-UHFFFAOYSA-N 1 1 476.547 3.410 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304532918 1067604027 /nfs/dbraw/zinc/60/40/27/1067604027.db2.gz AHKDANKBFTUWCP-VXKWHMMOSA-N 1 1 482.673 3.353 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304534883 1067605319 /nfs/dbraw/zinc/60/53/19/1067605319.db2.gz QQJLFABDEXQLHC-RXFWQSSRSA-N 1 1 484.645 3.156 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304536055 1067606642 /nfs/dbraw/zinc/60/66/42/1067606642.db2.gz WWLKFLSGEVZHRC-LEWJYISDSA-N 1 1 484.645 3.468 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304536055 1067606646 /nfs/dbraw/zinc/60/66/46/1067606646.db2.gz WWLKFLSGEVZHRC-LEWJYISDSA-N 1 1 484.645 3.468 20 0 JGADMO CCOC(=O)c1sc([C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)C2)nc1C ZINC001303075685 1067609366 /nfs/dbraw/zinc/60/93/66/1067609366.db2.gz HREDETURBMTRAJ-UYAOXDASSA-N 1 1 457.596 3.142 20 0 JGADMO O=C(Nc1ccccn1)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCCOCC(F)F ZINC001303077605 1067609976 /nfs/dbraw/zinc/60/99/76/1067609976.db2.gz AJFSCAPJNOWKNP-UHFFFAOYSA-N 1 1 477.560 3.052 20 0 JGADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001304541926 1067612610 /nfs/dbraw/zinc/61/26/10/1067612610.db2.gz GLGVURJTGDJCNQ-ZRZAMGCNSA-N 1 1 496.700 3.489 20 0 JGADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001304542395 1067613348 /nfs/dbraw/zinc/61/33/48/1067613348.db2.gz JXJKMCIJMFXMRC-UHFFFAOYSA-N 1 1 480.682 3.470 20 0 JGADMO O=C(Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C2CCCC2)CC1)NCC(F)F ZINC001303080437 1067614435 /nfs/dbraw/zinc/61/44/35/1067614435.db2.gz YMDKFJLDXYKEEV-UHFFFAOYSA-N 1 1 474.600 3.289 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001304549186 1067618117 /nfs/dbraw/zinc/61/81/17/1067618117.db2.gz GQCHYGGOVGUGSQ-FCHUYYIVSA-N 1 1 452.647 3.499 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001304549095 1067618125 /nfs/dbraw/zinc/61/81/25/1067618125.db2.gz DCPDZDOANHRDIP-NRFANRHFSA-N 1 1 461.676 3.026 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304557225 1067626003 /nfs/dbraw/zinc/62/60/03/1067626003.db2.gz RJLLXBYVIMVGBD-VWLOTQADSA-N 1 1 496.700 3.229 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001304558926 1067628010 /nfs/dbraw/zinc/62/80/10/1067628010.db2.gz BVFHJZHITTWGAO-QFIPXVFZSA-N 1 1 498.672 3.392 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001304558926 1067628012 /nfs/dbraw/zinc/62/80/12/1067628012.db2.gz BVFHJZHITTWGAO-QFIPXVFZSA-N 1 1 498.672 3.392 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCCO[C@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304559965 1067629116 /nfs/dbraw/zinc/62/91/16/1067629116.db2.gz QAJMUJSTUPJMSK-JOCHJYFZSA-N 1 1 454.663 3.066 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001304560715 1067630773 /nfs/dbraw/zinc/63/07/73/1067630773.db2.gz WRWJNSZBZRMEIY-DEOSSOPVSA-N 1 1 468.690 3.456 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCC[N@H+](C)C(C)C ZINC001304560715 1067630775 /nfs/dbraw/zinc/63/07/75/1067630775.db2.gz WRWJNSZBZRMEIY-DEOSSOPVSA-N 1 1 468.690 3.456 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001303103467 1067642058 /nfs/dbraw/zinc/64/20/58/1067642058.db2.gz WWJNHRNGJXJWRQ-FQEVSTJZSA-N 1 1 454.619 3.133 20 0 JGADMO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304577560 1067645712 /nfs/dbraw/zinc/64/57/12/1067645712.db2.gz QUVCMQXTKRWKNF-MZEQIWSPSA-N 1 1 471.646 3.087 20 0 JGADMO CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001304590340 1067657196 /nfs/dbraw/zinc/65/71/96/1067657196.db2.gz FTWVKCPKFLTRBD-HBMCJLEFSA-N 1 1 474.650 3.052 20 0 JGADMO CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001304590516 1067657647 /nfs/dbraw/zinc/65/76/47/1067657647.db2.gz UKAYHISWHQISNW-NRFANRHFSA-N 1 1 452.386 3.387 20 0 JGADMO CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001304590624 1067657682 /nfs/dbraw/zinc/65/76/82/1067657682.db2.gz KKTOPXWHYQNTJT-PCCBWWKXSA-N 1 1 474.650 3.174 20 0 JGADMO CC1=CCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304596039 1067660187 /nfs/dbraw/zinc/66/01/87/1067660187.db2.gz HHYFXWFTCKNEJL-HSZRJFAPSA-N 1 1 450.631 3.162 20 0 JGADMO CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304599108 1067662546 /nfs/dbraw/zinc/66/25/46/1067662546.db2.gz OQMYSIBUJOWRPX-QFIPXVFZSA-N 1 1 470.593 3.095 20 0 JGADMO Cc1cnn(C[C@H]2CN(c3nnc(-c4ccccc4Cl)n3CC[N@H+](C)C(C)C)CCO2)c1 ZINC001304600389 1067664134 /nfs/dbraw/zinc/66/41/34/1067664134.db2.gz BMIWPKYGDXRVTD-LJQANCHMSA-N 1 1 458.010 3.349 20 0 JGADMO Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)C3CCCCC3)CC2)c1 ZINC001304600832 1067664991 /nfs/dbraw/zinc/66/49/91/1067664991.db2.gz QRYAROAPJHSBJX-UHFFFAOYSA-N 1 1 484.693 3.492 20 0 JGADMO Cc1cnn(C[C@@H]2CN(c3nnc(Cc4ccc(Cl)cc4)n3CC[N@H+](C)C(C)C)CCO2)c1 ZINC001304601104 1067665419 /nfs/dbraw/zinc/66/54/19/1067665419.db2.gz GMOFJHOMJPQHKM-QFIPXVFZSA-N 1 1 472.037 3.273 20 0 JGADMO Cc1cnc([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001304609814 1067676989 /nfs/dbraw/zinc/67/69/89/1067676989.db2.gz XEZKRMQBBFRSHL-FUHWJXTLSA-N 1 1 497.735 3.014 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001303138824 1067679588 /nfs/dbraw/zinc/67/95/88/1067679588.db2.gz GOMKOLRNXQPEFA-NLWGTHIKSA-N 1 1 465.689 3.417 20 0 JGADMO CC(C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001303138824 1067679594 /nfs/dbraw/zinc/67/95/94/1067679594.db2.gz GOMKOLRNXQPEFA-NLWGTHIKSA-N 1 1 465.689 3.417 20 0 JGADMO Cc1csc([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001304619849 1067688240 /nfs/dbraw/zinc/68/82/40/1067688240.db2.gz PTFXRFWDDWXKSR-KRWDZBQOSA-N 1 1 459.664 3.280 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1 ZINC001303152897 1067689531 /nfs/dbraw/zinc/68/95/31/1067689531.db2.gz IORGHCTUPHCULI-IRXDYDNUSA-N 1 1 469.527 3.475 20 0 JGADMO Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)C2)n1 ZINC001304621134 1067690105 /nfs/dbraw/zinc/69/01/05/1067690105.db2.gz SJERWHJQCWRMPL-VQTJNVASSA-N 1 1 489.690 3.066 20 0 JGADMO CC(C)CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC001303160799 1067696952 /nfs/dbraw/zinc/69/69/52/1067696952.db2.gz YDPOJVASFHYDPS-PMACEKPBSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304626401 1067697007 /nfs/dbraw/zinc/69/70/07/1067697007.db2.gz SRGQLOBNKBFRIA-KDURUIRLSA-N 1 1 474.675 3.408 20 0 JGADMO Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304626401 1067697012 /nfs/dbraw/zinc/69/70/12/1067697012.db2.gz SRGQLOBNKBFRIA-KDURUIRLSA-N 1 1 474.675 3.408 20 0 JGADMO CC(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001303162233 1067699637 /nfs/dbraw/zinc/69/96/37/1067699637.db2.gz BXXWPOGXKSEDTE-UHFFFAOYSA-N 1 1 474.675 3.306 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001303172096 1067704452 /nfs/dbraw/zinc/70/44/52/1067704452.db2.gz AAHQKEIKDRIEPX-NRFANRHFSA-N 1 1 467.662 3.403 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)C1 ZINC001303172351 1067704966 /nfs/dbraw/zinc/70/49/66/1067704966.db2.gz FCRGMLCLVQCNHY-FPOVZHCZSA-N 1 1 489.064 3.455 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC001303172290 1067705182 /nfs/dbraw/zinc/70/51/82/1067705182.db2.gz DJDWCNJJIMKNOD-NRFANRHFSA-N 1 1 453.635 3.127 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001303172733 1067706381 /nfs/dbraw/zinc/70/63/81/1067706381.db2.gz MKCXRYICGJZUEZ-OAQYLSRUSA-N 1 1 467.662 3.449 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001303172643 1067706557 /nfs/dbraw/zinc/70/65/57/1067706557.db2.gz LAMSMVQROXXHQZ-OAQYLSRUSA-N 1 1 453.635 3.190 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001303173055 1067707087 /nfs/dbraw/zinc/70/70/87/1067707087.db2.gz OYGJFONWZPXUMO-GOSISDBHSA-N 1 1 489.462 3.402 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001303173199 1067707143 /nfs/dbraw/zinc/70/71/43/1067707143.db2.gz PIYDKEDMTIIGMJ-IAGOWNOFSA-N 1 1 463.001 3.417 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001303174265 1067707409 /nfs/dbraw/zinc/70/74/09/1067707409.db2.gz XCNQATLSYHNLCT-ROUUACIJSA-N 1 1 483.082 3.231 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001303173565 1067707468 /nfs/dbraw/zinc/70/74/68/1067707468.db2.gz SINFVLCXUJRYDZ-OAQYLSRUSA-N 1 1 453.635 3.190 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001303175241 1067708888 /nfs/dbraw/zinc/70/88/88/1067708888.db2.gz JFFJMIYXBKLPQH-FQEVSTJZSA-N 1 1 460.667 3.276 20 0 JGADMO Cc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC001304641477 1067709634 /nfs/dbraw/zinc/70/96/34/1067709634.db2.gz MAEIRIDHAMHNRZ-FQEVSTJZSA-N 1 1 467.643 3.249 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001303177156 1067709738 /nfs/dbraw/zinc/70/97/38/1067709738.db2.gz GRRSHKIOTNFDGM-VQTJNVASSA-N 1 1 472.600 3.224 20 0 JGADMO CC(C)CN1C[C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CCN2C1=O ZINC001303177027 1067709805 /nfs/dbraw/zinc/70/98/05/1067709805.db2.gz TZDSLOYNACPHHZ-NHCUHLMSSA-N 1 1 459.683 3.278 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001303177719 1067710588 /nfs/dbraw/zinc/71/05/88/1067710588.db2.gz HUAFKOPUBGKPQN-LJQANCHMSA-N 1 1 453.697 3.248 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001303178163 1067711060 /nfs/dbraw/zinc/71/10/60/1067711060.db2.gz JQPKEEPDDAQOAM-YADHBBJMSA-N 1 1 496.766 3.343 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303179321 1067712810 /nfs/dbraw/zinc/71/28/10/1067712810.db2.gz UFVLHRJOWSEHDL-OALUTQOASA-N 1 1 470.584 3.103 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303179599 1067713763 /nfs/dbraw/zinc/71/37/63/1067713763.db2.gz WUSWFIUBTWUGDG-HXUWFJFHSA-N 1 1 459.038 3.169 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001303182906 1067715281 /nfs/dbraw/zinc/71/52/81/1067715281.db2.gz GPYXDUYFTZBZPY-BGYRXZFFSA-N 1 1 489.064 3.402 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)[C@H](C)C1=O ZINC001303184003 1067716878 /nfs/dbraw/zinc/71/68/78/1067716878.db2.gz OKNYVSLPRPWVHL-HRFSGMKKSA-N 1 1 482.673 3.002 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+](C)C(C)C)CC1=O ZINC001303184422 1067717671 /nfs/dbraw/zinc/71/76/71/1067717671.db2.gz WMFJSRCPRCESNH-LJQANCHMSA-N 1 1 460.598 3.202 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001303185772 1067721322 /nfs/dbraw/zinc/72/13/22/1067721322.db2.gz MLTIBYLYXFNIIS-UHFFFAOYSA-N 1 1 466.051 3.201 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@](C)(O)c2ccccc2)cs1 ZINC001304655966 1067724164 /nfs/dbraw/zinc/72/41/64/1067724164.db2.gz CZSIYXBRCRVRAS-UNVFRBQDSA-N 1 1 498.697 3.477 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[C@](C)(O)c2ccccc2)cs1 ZINC001304655966 1067724170 /nfs/dbraw/zinc/72/41/70/1067724170.db2.gz CZSIYXBRCRVRAS-UNVFRBQDSA-N 1 1 498.697 3.477 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1=O ZINC001303194717 1067727760 /nfs/dbraw/zinc/72/77/60/1067727760.db2.gz AOYSEWQOLYHFFE-GOTSBHOMSA-N 1 1 482.673 3.325 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)[C@H](C)C1=O ZINC001303194719 1067727780 /nfs/dbraw/zinc/72/77/80/1067727780.db2.gz AOYSEWQOLYHFFE-XZOQPEGZSA-N 1 1 482.673 3.325 20 0 JGADMO CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@H](C)C2)[C@H](C)C1=O ZINC001303195695 1067728849 /nfs/dbraw/zinc/72/88/49/1067728849.db2.gz JOZWETWENSBQEH-DNQXCXABSA-N 1 1 496.700 3.257 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCS(=O)(=O)C(C)(C)C)cs1 ZINC001304665201 1067731899 /nfs/dbraw/zinc/73/18/99/1067731899.db2.gz BLQNTUTUZFGYEN-UHFFFAOYSA-N 1 1 496.747 3.404 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCSC(F)(F)F)cs1 ZINC001304666159 1067733158 /nfs/dbraw/zinc/73/31/58/1067733158.db2.gz PJVYDPLOHAYPOU-HNNXBMFYSA-N 1 1 476.594 3.045 20 0 JGADMO CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)[C@@H](C)C1=O ZINC001303198914 1067734576 /nfs/dbraw/zinc/73/45/76/1067734576.db2.gz PAQKICRMMHBESK-MOPGFXCFSA-N 1 1 472.609 3.172 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC(=O)NCc2ccccc2)cs1 ZINC001304667941 1067736273 /nfs/dbraw/zinc/73/62/73/1067736273.db2.gz LXJDWUJNNRKOIM-UHFFFAOYSA-N 1 1 481.670 3.261 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2CC(C)(C)O)cs1 ZINC001304669009 1067737074 /nfs/dbraw/zinc/73/70/74/1067737074.db2.gz XERYZTYKOHOVNF-UHFFFAOYSA-N 1 1 458.607 3.256 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001303201578 1067737234 /nfs/dbraw/zinc/73/72/34/1067737234.db2.gz MDAHVOLPZOQDHB-FQEVSTJZSA-N 1 1 477.053 3.306 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCOC[C@H]2C)C1 ZINC001303201580 1067737285 /nfs/dbraw/zinc/73/72/85/1067737285.db2.gz MFBQEROVPHASEZ-CVEARBPZSA-N 1 1 484.464 3.351 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001303201579 1067737355 /nfs/dbraw/zinc/73/73/55/1067737355.db2.gz MDAHVOLPZOQDHB-HXUWFJFHSA-N 1 1 477.053 3.306 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001303202320 1067738301 /nfs/dbraw/zinc/73/83/01/1067738301.db2.gz XBPGRUMYLBTSJK-CVDCTZTESA-N 1 1 475.609 3.123 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304670141 1067738909 /nfs/dbraw/zinc/73/89/09/1067738909.db2.gz NRODYARQRFCJQF-MJGOQNOKSA-N 1 1 473.691 3.236 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H]2CCC[N@H+]2CCCO)cs1 ZINC001304670230 1067739357 /nfs/dbraw/zinc/73/93/57/1067739357.db2.gz OGZRXOSJIJQHLE-SJLPKXTDSA-N 1 1 472.581 3.259 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001303203868 1067739381 /nfs/dbraw/zinc/73/93/81/1067739381.db2.gz CIWKEOWAPASAIZ-FUHWJXTLSA-N 1 1 495.455 3.276 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303204217 1067740522 /nfs/dbraw/zinc/74/05/22/1067740522.db2.gz LNQZDFCRXHZBFN-WOJBJXKFSA-N 1 1 466.552 3.399 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C3CCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001303204127 1067740663 /nfs/dbraw/zinc/74/06/63/1067740663.db2.gz GBVBVLSTWMVEPM-SFHVURJKSA-N 1 1 457.541 3.250 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCSC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303204820 1067741663 /nfs/dbraw/zinc/74/16/63/1067741663.db2.gz PDFQQOLIPRCVTD-YKSBVNFPSA-N 1 1 481.707 3.007 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001304672589 1067741719 /nfs/dbraw/zinc/74/17/19/1067741719.db2.gz CSVGTAJXOLNIGA-UHFFFAOYSA-N 1 1 477.679 3.421 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001303205010 1067742228 /nfs/dbraw/zinc/74/22/28/1067742228.db2.gz ODEMFXIEIDUSNM-RTWAWAEBSA-N 1 1 456.635 3.481 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001303205006 1067742388 /nfs/dbraw/zinc/74/23/88/1067742388.db2.gz ODEMFXIEIDUSNM-NHCUHLMSSA-N 1 1 456.635 3.481 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304673293 1067742808 /nfs/dbraw/zinc/74/28/08/1067742808.db2.gz PPXJKJMCTVHOOJ-KRWDZBQOSA-N 1 1 477.679 3.420 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303206955 1067744641 /nfs/dbraw/zinc/74/46/41/1067744641.db2.gz XKADGDGRWOHITD-NRFANRHFSA-N 1 1 468.577 3.351 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CCC(F)(F)F)C1 ZINC001303207579 1067745743 /nfs/dbraw/zinc/74/57/43/1067745743.db2.gz ZVNKSUDOJFLZIF-GOSISDBHSA-N 1 1 483.535 3.462 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2ccc(F)cc2)cs1 ZINC001304675100 1067746079 /nfs/dbraw/zinc/74/60/79/1067746079.db2.gz ZOTXGJDEMKDUMV-UHFFFAOYSA-N 1 1 458.607 3.368 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303208125 1067746196 /nfs/dbraw/zinc/74/61/96/1067746196.db2.gz WWAAUFYCBNYMDA-VQTJNVASSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)C1 ZINC001303208052 1067746222 /nfs/dbraw/zinc/74/62/22/1067746222.db2.gz WKMUOMFJVFFITM-KNQAVFIVSA-N 1 1 475.609 3.357 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001303208040 1067746278 /nfs/dbraw/zinc/74/62/78/1067746278.db2.gz WFFQFWTZLUDQIH-VWLOTQADSA-N 1 1 483.705 3.177 20 0 JGADMO CC(C)CN1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001303208040 1067746285 /nfs/dbraw/zinc/74/62/85/1067746285.db2.gz WFFQFWTZLUDQIH-VWLOTQADSA-N 1 1 483.705 3.177 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303212389 1067749499 /nfs/dbraw/zinc/74/94/99/1067749499.db2.gz CWWRXWLRXOKEDU-HSZRJFAPSA-N 1 1 484.645 3.217 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001303212196 1067749536 /nfs/dbraw/zinc/74/95/36/1067749536.db2.gz APPOCLHKTLSAMA-LEWJYISDSA-N 1 1 469.634 3.375 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001303216319 1067753416 /nfs/dbraw/zinc/75/34/16/1067753416.db2.gz RCAXHZVLBCQBOI-XMMPIXPASA-N 1 1 498.672 3.006 20 0 JGADMO CC(C)COc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001303220417 1067757723 /nfs/dbraw/zinc/75/77/23/1067757723.db2.gz PNFFAGJAAAIQJR-QFIPXVFZSA-N 1 1 454.619 3.233 20 0 JGADMO Cc1nc(CN2CCCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)CC2)no1 ZINC001304687242 1067759748 /nfs/dbraw/zinc/75/97/48/1067759748.db2.gz IPLGBWALHXFYHQ-OAQYLSRUSA-N 1 1 472.682 3.347 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304690887 1067764182 /nfs/dbraw/zinc/76/41/82/1067764182.db2.gz NKIKPYYDGCNKNY-YDIMBITNSA-N 1 1 492.690 3.219 20 0 JGADMO Cc1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H]2C)s1 ZINC001304693606 1067766604 /nfs/dbraw/zinc/76/66/04/1067766604.db2.gz LZYOSKMAMAUTJV-OAHLLOKOSA-N 1 1 459.645 3.155 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001304701132 1067771743 /nfs/dbraw/zinc/77/17/43/1067771743.db2.gz BUSDTIHXXUJLCA-UHFFFAOYSA-N 1 1 474.013 3.093 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1F ZINC001304701101 1067771879 /nfs/dbraw/zinc/77/18/79/1067771879.db2.gz AQKVJXPHBONZHU-SFHVURJKSA-N 1 1 460.579 3.096 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)CC2COC(C)(C)OC2)cn1 ZINC001304701326 1067772155 /nfs/dbraw/zinc/77/21/55/1067772155.db2.gz GGSMJIMJPZBDBV-UHFFFAOYSA-N 1 1 453.591 3.249 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1F ZINC001304701367 1067772186 /nfs/dbraw/zinc/77/21/86/1067772186.db2.gz HXEZSLMMOMMFLS-IBGZPJMESA-N 1 1 474.606 3.487 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)CC[C@@H]2C)cc1F ZINC001304701435 1067772234 /nfs/dbraw/zinc/77/22/34/1067772234.db2.gz IRPPGYOICPOFKK-ULQDDVLXSA-N 1 1 489.621 3.195 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)cn1 ZINC001304701322 1067772331 /nfs/dbraw/zinc/77/23/31/1067772331.db2.gz GADPSFHHJNSJES-UHFFFAOYSA-N 1 1 476.551 3.488 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@H](C)CC(N)=O)cn1 ZINC001304701632 1067772773 /nfs/dbraw/zinc/77/27/73/1067772773.db2.gz LXHYNUWQXQGXIL-OAHLLOKOSA-N 1 1 464.961 3.236 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(F)cc(F)c2)cn1 ZINC001304701968 1067773506 /nfs/dbraw/zinc/77/35/06/1067773506.db2.gz PCENYPIIXOHKBQ-UHFFFAOYSA-N 1 1 480.523 3.268 20 0 JGADMO Cc1nccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC001304702221 1067773688 /nfs/dbraw/zinc/77/36/88/1067773688.db2.gz QXSNIXZHTHBGDI-NRFANRHFSA-N 1 1 454.667 3.412 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N(C)CCC(F)F)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001304702327 1067774094 /nfs/dbraw/zinc/77/40/94/1067774094.db2.gz WDPMYJOQUTZLDZ-HSZRJFAPSA-N 1 1 475.544 3.348 20 0 JGADMO Cc1nccn1-c1ccc(Cn2c(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2C(C)(C)C)cn1 ZINC001304702299 1067774154 /nfs/dbraw/zinc/77/41/54/1067774154.db2.gz VEUICUBCUDNKTQ-KDURUIRLSA-N 1 1 466.634 3.058 20 0 JGADMO Cc1nccn1-c1ccc(Cn2c(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2C(C)(C)C)cn1 ZINC001304702299 1067774160 /nfs/dbraw/zinc/77/41/60/1067774160.db2.gz VEUICUBCUDNKTQ-KDURUIRLSA-N 1 1 466.634 3.058 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001304702552 1067774219 /nfs/dbraw/zinc/77/42/19/1067774219.db2.gz ZURVGTKIVIIAOR-DEOSSOPVSA-N 1 1 457.623 3.141 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(Cc2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001304702831 1067775200 /nfs/dbraw/zinc/77/52/00/1067775200.db2.gz JFQBLWHUJUAPGO-UHFFFAOYSA-N 1 1 453.591 3.085 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001304703283 1067775417 /nfs/dbraw/zinc/77/54/17/1067775417.db2.gz FKYPJUOWJKHXJZ-IBGZPJMESA-N 1 1 483.592 3.457 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001304703406 1067775947 /nfs/dbraw/zinc/77/59/47/1067775947.db2.gz GHAUODPVXJJXGM-IEBWSBKVSA-N 1 1 490.605 3.166 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001304703608 1067776073 /nfs/dbraw/zinc/77/60/73/1067776073.db2.gz IXDPSBRGROPIDC-GOSISDBHSA-N 1 1 483.539 3.010 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001304704018 1067776413 /nfs/dbraw/zinc/77/64/13/1067776413.db2.gz WGNHVAYBODDWNF-WIYYLYMNSA-N 1 1 456.616 3.363 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccoc1 ZINC001304704101 1067776540 /nfs/dbraw/zinc/77/65/40/1067776540.db2.gz CHMZLLZKFPSLPY-UHFFFAOYSA-N 1 1 454.556 3.173 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001304704611 1067776842 /nfs/dbraw/zinc/77/68/42/1067776842.db2.gz NQHYVKONVUXSET-IRXDYDNUSA-N 1 1 462.595 3.327 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001304704448 1067777379 /nfs/dbraw/zinc/77/73/79/1067777379.db2.gz ZJTATFVHDMMPGT-JOCHJYFZSA-N 1 1 470.643 3.062 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001304705128 1067777891 /nfs/dbraw/zinc/77/78/91/1067777891.db2.gz NDVDTYPBNKRNKQ-HNNXBMFYSA-N 1 1 490.381 3.144 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001304705373 1067778115 /nfs/dbraw/zinc/77/81/15/1067778115.db2.gz SXEYCAKWGSXLQC-JOCHJYFZSA-N 1 1 459.957 3.425 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)C1 ZINC001304705363 1067778233 /nfs/dbraw/zinc/77/82/33/1067778233.db2.gz SLRUPAXRLWLSNW-KRWDZBQOSA-N 1 1 474.656 3.276 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001304705949 1067778522 /nfs/dbraw/zinc/77/85/22/1067778522.db2.gz YCRAQWMCXQGTBS-UHFFFAOYSA-N 1 1 481.511 3.074 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001304706034 1067778657 /nfs/dbraw/zinc/77/86/57/1067778657.db2.gz XVHLEGAVKQZIEU-HOTGVXAUSA-N 1 1 465.023 3.452 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CCOc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001304706838 1067779023 /nfs/dbraw/zinc/77/90/23/1067779023.db2.gz BCOUTXJJALVYFX-UHFFFAOYSA-N 1 1 478.519 3.388 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001304706039 1067779049 /nfs/dbraw/zinc/77/90/49/1067779049.db2.gz XYODUDUNGCSWKV-INIZCTEOSA-N 1 1 483.425 3.470 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 ZINC001304706820 1067779097 /nfs/dbraw/zinc/77/90/97/1067779097.db2.gz AHEFDYFDWZFIQL-UHFFFAOYSA-N 1 1 465.048 3.388 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Br)cc2)nnc1N1CCOCC1 ZINC001304707204 1067779433 /nfs/dbraw/zinc/77/94/33/1067779433.db2.gz ILAVFVHKRXHSIZ-UHFFFAOYSA-N 1 1 461.364 3.051 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Br ZINC001304707982 1067779888 /nfs/dbraw/zinc/77/98/88/1067779888.db2.gz UPRQBVVQRGFULM-UHFFFAOYSA-N 1 1 472.391 3.118 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303254585 1067780087 /nfs/dbraw/zinc/78/00/87/1067780087.db2.gz BOAYXYAIMOZLEP-QHCPKHFHSA-N 1 1 468.646 3.152 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001304708729 1067780089 /nfs/dbraw/zinc/78/00/89/1067780089.db2.gz CWQJHPOVXUIZCQ-HXUWFJFHSA-N 1 1 473.622 3.418 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001304708787 1067780124 /nfs/dbraw/zinc/78/01/24/1067780124.db2.gz FGPFSHDLKREDFW-IBGZPJMESA-N 1 1 474.556 3.373 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C2CCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001304709723 1067780550 /nfs/dbraw/zinc/78/05/50/1067780550.db2.gz WDIRRBJVNMEXQP-UHFFFAOYSA-N 1 1 453.513 3.036 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 ZINC001304709579 1067780584 /nfs/dbraw/zinc/78/05/84/1067780584.db2.gz RGMNNGAVZLMLHG-FQEVSTJZSA-N 1 1 495.632 3.414 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001303255176 1067780911 /nfs/dbraw/zinc/78/09/11/1067780911.db2.gz YDAGFMFSTDPMME-DHIUTWEWSA-N 1 1 489.686 3.074 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnccn1 ZINC001304709999 1067781221 /nfs/dbraw/zinc/78/12/21/1067781221.db2.gz BQOLGJRCIAQGBR-UHFFFAOYSA-N 1 1 453.348 3.339 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1 ZINC001304710573 1067781435 /nfs/dbraw/zinc/78/14/35/1067781435.db2.gz KKYJBUIPDOXJNI-LJQANCHMSA-N 1 1 471.562 3.021 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001304711068 1067782124 /nfs/dbraw/zinc/78/21/24/1067782124.db2.gz NOPASXCOMLWOKK-UHFFFAOYSA-N 1 1 485.583 3.435 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001303255801 1067782168 /nfs/dbraw/zinc/78/21/68/1067782168.db2.gz CNEMEDSYTPHZFK-UHFFFAOYSA-N 1 1 475.641 3.256 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001303255952 1067782562 /nfs/dbraw/zinc/78/25/62/1067782562.db2.gz FLNLWVWAWVYKDL-UHFFFAOYSA-N 1 1 489.064 3.437 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001304711832 1067782893 /nfs/dbraw/zinc/78/28/93/1067782893.db2.gz GCJLDLSCYXNCTP-UHFFFAOYSA-N 1 1 466.590 3.429 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001304711888 1067783012 /nfs/dbraw/zinc/78/30/12/1067783012.db2.gz GKJROJNURLFIFZ-GOSISDBHSA-N 1 1 485.564 3.019 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCSC2)CC1 ZINC001303256288 1067783286 /nfs/dbraw/zinc/78/32/86/1067783286.db2.gz IYXSFJNBRYRJIR-OAQYLSRUSA-N 1 1 497.507 3.460 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@H](C)C1 ZINC001304712587 1067783573 /nfs/dbraw/zinc/78/35/73/1067783573.db2.gz TWKAZDALGXNLBC-UYAOXDASSA-N 1 1 473.622 3.213 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303256764 1067783718 /nfs/dbraw/zinc/78/37/18/1067783718.db2.gz BRWXKGGPFYIONQ-FQEVSTJZSA-N 1 1 472.600 3.365 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303256655 1067783735 /nfs/dbraw/zinc/78/37/35/1067783735.db2.gz OAILTQBUTWGMGL-NRFANRHFSA-N 1 1 497.610 3.483 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCOCC2)CC1 ZINC001303257315 1067784220 /nfs/dbraw/zinc/78/42/20/1067784220.db2.gz FSXRGSVWRVJWNK-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001304713472 1067784794 /nfs/dbraw/zinc/78/47/94/1067784794.db2.gz XAUIJMAMWFOBBY-UHFFFAOYSA-N 1 1 453.566 3.027 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001303258274 1067784910 /nfs/dbraw/zinc/78/49/10/1067784910.db2.gz LEGYYTUFKNXGSV-HXUWFJFHSA-N 1 1 478.588 3.426 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001303259301 1067785564 /nfs/dbraw/zinc/78/55/64/1067785564.db2.gz SRLGJFBCXXGXCF-UHFFFAOYSA-N 1 1 459.660 3.239 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001304713928 1067785567 /nfs/dbraw/zinc/78/55/67/1067785567.db2.gz HOZUSUBXPCRVCI-MRXNPFEDSA-N 1 1 497.547 3.022 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCN1CCOCC1 ZINC001304714768 1067786243 /nfs/dbraw/zinc/78/62/43/1067786243.db2.gz ILVDBEAIAHUEDA-UHFFFAOYSA-N 1 1 481.645 3.128 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(CCCO)CC1 ZINC001304715699 1067786935 /nfs/dbraw/zinc/78/69/35/1067786935.db2.gz MFZAKUUSDRTCPZ-OYRHEFFESA-N 1 1 487.649 3.243 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001303261301 1067787171 /nfs/dbraw/zinc/78/71/71/1067787171.db2.gz DIYTVMDHLBKYDK-UHFFFAOYSA-N 1 1 495.603 3.095 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001304715777 1067787230 /nfs/dbraw/zinc/78/72/30/1067787230.db2.gz NPBXSFUQDNFIGT-BHIYHBOVSA-N 1 1 483.583 3.475 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@H]2C)CC1 ZINC001303261490 1067787481 /nfs/dbraw/zinc/78/74/81/1067787481.db2.gz KFRJCJVONAGBFI-OAQYLSRUSA-N 1 1 488.652 3.274 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001303261610 1067787840 /nfs/dbraw/zinc/78/78/40/1067787840.db2.gz PCZXMSFIHYHLFE-UHFFFAOYSA-N 1 1 482.673 3.066 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CN2CCCC2=O)nnc1N(C)CCc1ccc(Br)cc1 ZINC001304716535 1067788303 /nfs/dbraw/zinc/78/83/03/1067788303.db2.gz UIXDUGWQONCMTI-UHFFFAOYSA-N 1 1 486.418 3.047 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001303261690 1067788432 /nfs/dbraw/zinc/78/84/32/1067788432.db2.gz RVQUAAKIILXSCQ-FYYLOGMGSA-N 1 1 497.688 3.296 20 0 JGADMO Cc1nccnc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304716868 1067788976 /nfs/dbraw/zinc/78/89/76/1067788976.db2.gz BTFCZSCGTHESGQ-ZVDOUQERSA-N 1 1 497.619 3.444 20 0 JGADMO Cc1nccnc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304716868 1067788983 /nfs/dbraw/zinc/78/89/83/1067788983.db2.gz BTFCZSCGTHESGQ-ZVDOUQERSA-N 1 1 497.619 3.444 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001303261776 1067789062 /nfs/dbraw/zinc/78/90/62/1067789062.db2.gz WHNSJBOHMQGQAV-QFIPXVFZSA-N 1 1 453.635 3.325 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001303261877 1067789116 /nfs/dbraw/zinc/78/91/16/1067789116.db2.gz ZXIAWRDAVWVNHS-FQEVSTJZSA-N 1 1 498.676 3.034 20 0 JGADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)C1 ZINC001304718377 1067789707 /nfs/dbraw/zinc/78/97/07/1067789707.db2.gz MUMQQROOIJQSBZ-CYBMUJFWSA-N 1 1 459.768 3.099 20 0 JGADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)C1 ZINC001304718377 1067789712 /nfs/dbraw/zinc/78/97/12/1067789712.db2.gz MUMQQROOIJQSBZ-CYBMUJFWSA-N 1 1 459.768 3.099 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001303263267 1067790191 /nfs/dbraw/zinc/79/01/91/1067790191.db2.gz ONXXDVWCPASXDB-UHFFFAOYSA-N 1 1 455.651 3.243 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)CC(N)=O ZINC001303262982 1067790391 /nfs/dbraw/zinc/79/03/91/1067790391.db2.gz LLFPRCGYWJCIEW-HNNXBMFYSA-N 1 1 451.413 3.138 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 ZINC001303263440 1067790589 /nfs/dbraw/zinc/79/05/89/1067790589.db2.gz CSVJLAHMNHGPML-GOSISDBHSA-N 1 1 463.424 3.358 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304719411 1067790686 /nfs/dbraw/zinc/79/06/86/1067790686.db2.gz DXFMHQDTSCTNFB-OAHLLOKOSA-N 1 1 476.000 3.445 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304719410 1067790817 /nfs/dbraw/zinc/79/08/17/1067790817.db2.gz DXFMHQDTSCTNFB-HNNXBMFYSA-N 1 1 476.000 3.445 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1CCC[NH+]1CCOCC1 ZINC001304720573 1067791722 /nfs/dbraw/zinc/79/17/22/1067791722.db2.gz QSAIGQFRBXGSMF-UHFFFAOYSA-N 1 1 458.010 3.308 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303264694 1067791894 /nfs/dbraw/zinc/79/18/94/1067791894.db2.gz WRZFSZRIVHKGSB-UHFFFAOYSA-N 1 1 482.551 3.131 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC001303264585 1067792092 /nfs/dbraw/zinc/79/20/92/1067792092.db2.gz LQIKYQOZMKNBBM-UHFFFAOYSA-N 1 1 471.625 3.176 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001303265090 1067792261 /nfs/dbraw/zinc/79/22/61/1067792261.db2.gz GJEKMJPSPXMWJY-NRFANRHFSA-N 1 1 458.582 3.242 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001303265398 1067792348 /nfs/dbraw/zinc/79/23/48/1067792348.db2.gz IEBHCAZADNIMCH-UHFFFAOYSA-N 1 1 460.652 3.373 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001303265218 1067792450 /nfs/dbraw/zinc/79/24/50/1067792450.db2.gz PCFIOZBJURGZOU-UHFFFAOYSA-N 1 1 470.666 3.028 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001303265038 1067792466 /nfs/dbraw/zinc/79/24/66/1067792466.db2.gz FHWQDVQFOKGMEM-QFIPXVFZSA-N 1 1 472.609 3.238 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001303266658 1067794224 /nfs/dbraw/zinc/79/42/24/1067794224.db2.gz SPXNDJASOQPHMV-UHFFFAOYSA-N 1 1 490.718 3.498 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCSC(F)(F)F)CC1 ZINC001304725238 1067797175 /nfs/dbraw/zinc/79/71/75/1067797175.db2.gz AQZHIFJXESFJSO-UHFFFAOYSA-N 1 1 480.564 3.266 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1 ZINC001303269010 1067797323 /nfs/dbraw/zinc/79/73/23/1067797323.db2.gz PWELAGSWEFUZDP-BGYRXZFFSA-N 1 1 474.654 3.149 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001303268961 1067797463 /nfs/dbraw/zinc/79/74/63/1067797463.db2.gz VWICQJBDXVILIG-QHCPKHFHSA-N 1 1 464.010 3.237 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001303269242 1067797759 /nfs/dbraw/zinc/79/77/59/1067797759.db2.gz VBWKGUXWIZNTST-JKSUJKDBSA-N 1 1 451.413 3.239 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001303269195 1067797856 /nfs/dbraw/zinc/79/78/56/1067797856.db2.gz UAGZCLBZPYIXKT-HNNXBMFYSA-N 1 1 453.429 3.390 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2cccs2)CC1 ZINC001304725844 1067798086 /nfs/dbraw/zinc/79/80/86/1067798086.db2.gz QOMJVMDTFYIBTJ-DEOSSOPVSA-N 1 1 471.675 3.217 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001303269384 1067798309 /nfs/dbraw/zinc/79/83/09/1067798309.db2.gz WVNCRJLACSSKKD-KAOXLYBCSA-N 1 1 478.726 3.472 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCCCCCO)CC1 ZINC001304726200 1067798660 /nfs/dbraw/zinc/79/86/60/1067798660.db2.gz SCFIRHNLGSMMGO-UHFFFAOYSA-N 1 1 469.609 3.309 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001303270026 1067798746 /nfs/dbraw/zinc/79/87/46/1067798746.db2.gz FLLLQMFZKMAKBH-UHFFFAOYSA-N 1 1 495.716 3.327 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)C(C)C)CC1 ZINC001304726158 1067798824 /nfs/dbraw/zinc/79/88/24/1067798824.db2.gz PYZMHZVAPVPLQT-DEOSSOPVSA-N 1 1 487.052 3.073 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001303270370 1067799240 /nfs/dbraw/zinc/79/92/40/1067799240.db2.gz JDUCUGCHTZYXNX-UHFFFAOYSA-N 1 1 498.031 3.480 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001303270930 1067799549 /nfs/dbraw/zinc/79/95/49/1067799549.db2.gz MTEIXUBQNLHQTN-ZHRRBRCNSA-N 1 1 451.974 3.462 20 0 JGADMO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001303271227 1067799595 /nfs/dbraw/zinc/79/95/95/1067799595.db2.gz OVFZVMHSHPZFTP-JOCHJYFZSA-N 1 1 484.048 3.189 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001303271227 1067799604 /nfs/dbraw/zinc/79/96/04/1067799604.db2.gz OVFZVMHSHPZFTP-JOCHJYFZSA-N 1 1 484.048 3.189 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001303271738 1067800548 /nfs/dbraw/zinc/80/05/48/1067800548.db2.gz TWMMFKAEZJLUNE-LJQANCHMSA-N 1 1 460.026 3.076 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001303271652 1067800838 /nfs/dbraw/zinc/80/08/38/1067800838.db2.gz QLVLQKYBRUGUEY-OAQYLSRUSA-N 1 1 464.408 3.044 20 0 JGADMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273181 1067801887 /nfs/dbraw/zinc/80/18/87/1067801887.db2.gz IDBQNHGEBMCLKG-JKSUJKDBSA-N 1 1 458.282 3.357 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001303275067 1067802190 /nfs/dbraw/zinc/80/21/90/1067802190.db2.gz RETGUDJQWDWOIL-SANMLTNESA-N 1 1 481.645 3.174 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 ZINC001303276018 1067803260 /nfs/dbraw/zinc/80/32/60/1067803260.db2.gz IJICEDLBZQFWKD-IBGZPJMESA-N 1 1 472.638 3.159 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC001303276325 1067803998 /nfs/dbraw/zinc/80/39/98/1067803998.db2.gz GFXMTEQXAHUHBC-UHFFFAOYSA-N 1 1 499.660 3.170 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001303276608 1067804009 /nfs/dbraw/zinc/80/40/09/1067804009.db2.gz IOXFASFUEMVDHK-UHFFFAOYSA-N 1 1 480.661 3.321 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001303276385 1067804100 /nfs/dbraw/zinc/80/41/00/1067804100.db2.gz LVWWUDMYHQNTGC-OAQYLSRUSA-N 1 1 459.610 3.370 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001303276789 1067804681 /nfs/dbraw/zinc/80/46/81/1067804681.db2.gz OBCIDRNGPIBOHI-UHFFFAOYSA-N 1 1 470.618 3.372 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001303278215 1067805564 /nfs/dbraw/zinc/80/55/64/1067805564.db2.gz ZDIKKDIDPPDKIL-JOCHJYFZSA-N 1 1 461.054 3.164 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001303278226 1067806018 /nfs/dbraw/zinc/80/60/18/1067806018.db2.gz ZMCLLSMCBKXOPL-IBGZPJMESA-N 1 1 450.628 3.163 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2CCOC[C@H]2C1 ZINC001303278542 1067806944 /nfs/dbraw/zinc/80/69/44/1067806944.db2.gz IOLUVAWMSIWRGV-GOSISDBHSA-N 1 1 483.444 3.025 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001303278550 1067807157 /nfs/dbraw/zinc/80/71/57/1067807157.db2.gz IWGRHODXLYOKDQ-LJQANCHMSA-N 1 1 455.582 3.139 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001303278543 1067807179 /nfs/dbraw/zinc/80/71/79/1067807179.db2.gz IOLUVAWMSIWRGV-SFHVURJKSA-N 1 1 483.444 3.025 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001303278754 1067807697 /nfs/dbraw/zinc/80/76/97/1067807697.db2.gz OZLBGHPWBHIKSJ-JOCHJYFZSA-N 1 1 454.619 3.211 20 0 JGADMO CC(C)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C(C)C)CC1 ZINC001303278900 1067807935 /nfs/dbraw/zinc/80/79/35/1067807935.db2.gz UKJDNUATLMSELE-FQEVSTJZSA-N 1 1 463.671 3.221 20 0 JGADMO CC(C)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001303278900 1067807950 /nfs/dbraw/zinc/80/79/50/1067807950.db2.gz UKJDNUATLMSELE-FQEVSTJZSA-N 1 1 463.671 3.221 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001304734431 1067808364 /nfs/dbraw/zinc/80/83/64/1067808364.db2.gz AUKUYQPAGVTUIF-GHTZIAJQSA-N 1 1 467.618 3.011 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001304739435 1067813133 /nfs/dbraw/zinc/81/31/33/1067813133.db2.gz DWHYUDQVLVKBEA-PMOQBDJRSA-N 1 1 457.667 3.392 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304739700 1067813719 /nfs/dbraw/zinc/81/37/19/1067813719.db2.gz JSNNZINODKMFTR-PMOQBDJRSA-N 1 1 484.693 3.097 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304739702 1067814150 /nfs/dbraw/zinc/81/41/50/1067814150.db2.gz JSNNZINODKMFTR-UEVCKROQSA-N 1 1 484.693 3.097 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCCn2cc[nH+]c2C)n1 ZINC001304739995 1067814515 /nfs/dbraw/zinc/81/45/15/1067814515.db2.gz DKTQMDKLDNUAEE-MRXNPFEDSA-N 1 1 453.620 3.431 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001304740369 1067815529 /nfs/dbraw/zinc/81/55/29/1067815529.db2.gz JKUTZJTVVQEOCQ-GHTZIAJQSA-N 1 1 486.690 3.193 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304741168 1067817320 /nfs/dbraw/zinc/81/73/20/1067817320.db2.gz UISJGLSRBRIBIG-ZEQKJWHPSA-N 1 1 465.646 3.257 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304742566 1067819599 /nfs/dbraw/zinc/81/95/99/1067819599.db2.gz URQAETYNHFTBOE-HSZRJFAPSA-N 1 1 495.676 3.046 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2cccc(Cl)c2)n1 ZINC001304745322 1067824678 /nfs/dbraw/zinc/82/46/78/1067824678.db2.gz PCMZUDJNUDQRJV-BGYRXZFFSA-N 1 1 472.037 3.387 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2cccc(Cl)c2)n1 ZINC001304745322 1067824695 /nfs/dbraw/zinc/82/46/95/1067824695.db2.gz PCMZUDJNUDQRJV-BGYRXZFFSA-N 1 1 472.037 3.387 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001303302352 1067827232 /nfs/dbraw/zinc/82/72/32/1067827232.db2.gz IAKPIJRDLQMNDA-GOSISDBHSA-N 1 1 495.093 3.237 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001303302653 1067827733 /nfs/dbraw/zinc/82/77/33/1067827733.db2.gz AJSUUGNDRSMMPF-MRXNPFEDSA-N 1 1 467.540 3.147 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303302955 1067828205 /nfs/dbraw/zinc/82/82/05/1067828205.db2.gz CXBZTXCMDHPXBN-IPMKNSEASA-N 1 1 486.583 3.145 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)Nc4ccccc4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304748883 1067828564 /nfs/dbraw/zinc/82/85/64/1067828564.db2.gz NQVRASOXDFZXIQ-UHFFFAOYSA-N 1 1 478.645 3.335 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303443 1067828825 /nfs/dbraw/zinc/82/88/25/1067828825.db2.gz GYSVCMULAHDIBX-JOCHJYFZSA-N 1 1 483.661 3.441 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001303303231 1067828872 /nfs/dbraw/zinc/82/88/72/1067828872.db2.gz DRXWOAQKGHFAGB-YADHBBJMSA-N 1 1 460.667 3.335 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303303164 1067828944 /nfs/dbraw/zinc/82/89/44/1067828944.db2.gz DCEJOPCBGXFKSH-UYAOXDASSA-N 1 1 458.582 3.004 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCOCC(F)F)CC1 ZINC001303303827 1067829806 /nfs/dbraw/zinc/82/98/06/1067829806.db2.gz ABOCSGZKBSADQW-UHFFFAOYSA-N 1 1 475.382 3.248 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303303857 1067830009 /nfs/dbraw/zinc/83/00/09/1067830009.db2.gz AHWBFNPPSBSPPV-GUDVDZBRSA-N 1 1 458.573 3.323 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(CO)CC2)C1 ZINC001303304243 1067830277 /nfs/dbraw/zinc/83/02/77/1067830277.db2.gz FJJUQXSOEBBZPT-VSKRKVRLSA-N 1 1 490.693 3.378 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303304211 1067830662 /nfs/dbraw/zinc/83/06/62/1067830662.db2.gz MBIXZXQRBAJVMS-GOSISDBHSA-N 1 1 481.567 3.289 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304295 1067830991 /nfs/dbraw/zinc/83/09/91/1067830991.db2.gz NCGYNCQEWZRRRJ-MOPGFXCFSA-N 1 1 481.613 3.215 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001303304939 1067831787 /nfs/dbraw/zinc/83/17/87/1067831787.db2.gz LCNYXFVANHMFCE-GGAORHGYSA-N 1 1 452.647 3.241 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303304640 1067832243 /nfs/dbraw/zinc/83/22/43/1067832243.db2.gz IXEHKJNMMZLFOC-UXHICEINSA-N 1 1 465.689 3.064 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001303305052 1067832587 /nfs/dbraw/zinc/83/25/87/1067832587.db2.gz QTHKBSKWGVWOLD-UYAOXDASSA-N 1 1 459.038 3.310 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001303305786 1067833427 /nfs/dbraw/zinc/83/34/27/1067833427.db2.gz WBJBKYRPEYBRRU-KGMZSHBCSA-N 1 1 467.643 3.229 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001303307402 1067834932 /nfs/dbraw/zinc/83/49/32/1067834932.db2.gz DSSRCNJPTBEQEP-IBGZPJMESA-N 1 1 463.026 3.357 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOCc2ccccc2)CC1 ZINC001303309803 1067837639 /nfs/dbraw/zinc/83/76/39/1067837639.db2.gz HPJNHQWNCKPZOM-HSZRJFAPSA-N 1 1 489.686 3.098 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001303310367 1067838103 /nfs/dbraw/zinc/83/81/03/1067838103.db2.gz GIMOZZFABVSUDK-IBGZPJMESA-N 1 1 496.077 3.256 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 ZINC001303310761 1067838720 /nfs/dbraw/zinc/83/87/20/1067838720.db2.gz LFYYPNBGYWMYDL-HSALFYBXSA-N 1 1 462.639 3.148 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001303311069 1067839941 /nfs/dbraw/zinc/83/99/41/1067839941.db2.gz VHQSIZZUAPRYMX-LJQANCHMSA-N 1 1 450.628 3.007 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2CF)CC1 ZINC001303311245 1067840573 /nfs/dbraw/zinc/84/05/73/1067840573.db2.gz XJPFXBSHQSYSLL-IPMKNSEASA-N 1 1 466.602 3.038 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](n4nc(C)cc4C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304757180 1067841613 /nfs/dbraw/zinc/84/16/13/1067841613.db2.gz ZEOLDTKIWPYZEN-QFIPXVFZSA-N 1 1 453.639 3.135 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001303312084 1067841616 /nfs/dbraw/zinc/84/16/16/1067841616.db2.gz YDMQWMFRAAGDDT-OAQYLSRUSA-N 1 1 488.702 3.144 20 0 JGADMO CC(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001303312084 1067841620 /nfs/dbraw/zinc/84/16/20/1067841620.db2.gz YDMQWMFRAAGDDT-OAQYLSRUSA-N 1 1 488.702 3.144 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304759311 1067844553 /nfs/dbraw/zinc/84/45/53/1067844553.db2.gz JDWUZMIFCFNBAC-HYBUGGRVSA-N 1 1 471.675 3.491 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCSCC(F)(F)F)n1 ZINC001304760279 1067846389 /nfs/dbraw/zinc/84/63/89/1067846389.db2.gz PQJXILNYCJEIKE-UHFFFAOYSA-N 1 1 459.586 3.356 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)CC2)C1 ZINC001303317718 1067846931 /nfs/dbraw/zinc/84/69/31/1067846931.db2.gz BNNLGKVMSFFNNR-XZOQPEGZSA-N 1 1 476.710 3.156 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3CCC[C@H]3CCCCO3)CC2)C1 ZINC001303317715 1067847091 /nfs/dbraw/zinc/84/70/91/1067847091.db2.gz BNNLGKVMSFFNNR-DHIUTWEWSA-N 1 1 476.710 3.156 20 0 JGADMO CC(C)N1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001303317676 1067847164 /nfs/dbraw/zinc/84/71/64/1067847164.db2.gz ABBOPEARTBWSMR-HSZRJFAPSA-N 1 1 489.753 3.071 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC[C@H](F)C3)CC2)C1 ZINC001303317773 1067847507 /nfs/dbraw/zinc/84/75/07/1067847507.db2.gz CSCPLIPOECGZHT-FDFHNCONSA-N 1 1 464.674 3.236 20 0 JGADMO CC(C)N1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303318002 1067848248 /nfs/dbraw/zinc/84/82/48/1067848248.db2.gz WUSUIJQWGVLLGW-QHCPKHFHSA-N 1 1 451.594 3.236 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCSCC(C)C)n1 ZINC001304761732 1067848785 /nfs/dbraw/zinc/84/87/85/1067848785.db2.gz YXQFIDRTJQXORB-NRFANRHFSA-N 1 1 475.707 3.218 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304763726 1067852058 /nfs/dbraw/zinc/85/20/58/1067852058.db2.gz GQEZCFKZGDAFPQ-FDFHNCONSA-N 1 1 451.619 3.274 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CCCC[NH+]1CCOCC1 ZINC001303323715 1067852413 /nfs/dbraw/zinc/85/24/13/1067852413.db2.gz HXIVQULHPASLDI-QGZVFWFLSA-N 1 1 464.561 3.004 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303324564 1067853336 /nfs/dbraw/zinc/85/33/36/1067853336.db2.gz ONNCHEPNBPIBRV-QONXBGTDSA-N 1 1 483.642 3.125 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303324790 1067854183 /nfs/dbraw/zinc/85/41/83/1067854183.db2.gz QXIHYAQUSDMSKU-LJQANCHMSA-N 1 1 473.641 3.026 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@H]1CCCO1 ZINC001303327528 1067855671 /nfs/dbraw/zinc/85/56/71/1067855671.db2.gz KAXBZCOHPXLGSL-ILWGZMRPSA-N 1 1 454.619 3.085 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001303327219 1067855679 /nfs/dbraw/zinc/85/56/79/1067855679.db2.gz HGFQAYQRTTVVOO-NRSPTQNISA-N 1 1 490.599 3.330 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C[C@]1(O)CCC[C@@H]1C ZINC001303328274 1067856050 /nfs/dbraw/zinc/85/60/50/1067856050.db2.gz NNDOCQAVRRJOQI-UNIVCBNLSA-N 1 1 468.646 3.068 20 0 JGADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CCO2)n1 ZINC001304767960 1067858488 /nfs/dbraw/zinc/85/84/88/1067858488.db2.gz BQGYLMXIHIXSFL-RTWAWAEBSA-N 1 1 457.667 3.415 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001303330258 1067859566 /nfs/dbraw/zinc/85/95/66/1067859566.db2.gz MTUVOMATSHPHPX-SFHVURJKSA-N 1 1 490.052 3.265 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)c2ccccc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303331113 1067860925 /nfs/dbraw/zinc/86/09/25/1067860925.db2.gz VRFZYDNHWBKUMW-NJYVYQBISA-N 1 1 456.635 3.156 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001303336243 1067866175 /nfs/dbraw/zinc/86/61/75/1067866175.db2.gz PJOZLPRDJCQCNE-HXUWFJFHSA-N 1 1 499.063 3.004 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001303337202 1067866910 /nfs/dbraw/zinc/86/69/10/1067866910.db2.gz NBAJPNRCHYXNFH-URXFXBBRSA-N 1 1 480.657 3.214 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303341146 1067870179 /nfs/dbraw/zinc/87/01/79/1067870179.db2.gz SEVHOPUKLUDSPZ-HSZRJFAPSA-N 1 1 468.646 3.334 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303347933 1067874748 /nfs/dbraw/zinc/87/47/48/1067874748.db2.gz VUNCHOMCVJTPQB-UHFFFAOYSA-N 1 1 460.598 3.081 20 0 JGADMO Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001304792121 1067882761 /nfs/dbraw/zinc/88/27/61/1067882761.db2.gz CBBAOGYUGBFTMF-HNNXBMFYSA-N 1 1 467.517 3.054 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001303355269 1067883012 /nfs/dbraw/zinc/88/30/12/1067883012.db2.gz STTJZUTWXOIQAJ-UYAOXDASSA-N 1 1 497.644 3.485 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001303355267 1067883290 /nfs/dbraw/zinc/88/32/90/1067883290.db2.gz STTJZUTWXOIQAJ-ICSRJNTNSA-N 1 1 497.644 3.485 20 0 JGADMO Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001304810760 1067887908 /nfs/dbraw/zinc/88/79/08/1067887908.db2.gz CFSQPWHEASAYEO-INIZCTEOSA-N 1 1 465.520 3.203 20 0 JGADMO Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001304810760 1067887925 /nfs/dbraw/zinc/88/79/25/1067887925.db2.gz CFSQPWHEASAYEO-INIZCTEOSA-N 1 1 465.520 3.203 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001303362356 1067889347 /nfs/dbraw/zinc/88/93/47/1067889347.db2.gz KWIGOXPASZGIMR-IAGOWNOFSA-N 1 1 488.599 3.473 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001303363048 1067890395 /nfs/dbraw/zinc/89/03/95/1067890395.db2.gz CKEVVPRYDJGOHT-PKOBYXMFSA-N 1 1 452.594 3.408 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3ccccc3CO)CC2)n1CCC[N@@H+](C)C(C)C ZINC001303364237 1067891315 /nfs/dbraw/zinc/89/13/15/1067891315.db2.gz JVLVSPMXCDXCST-UHFFFAOYSA-N 1 1 456.635 3.023 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303364272 1067891745 /nfs/dbraw/zinc/89/17/45/1067891745.db2.gz VUEBXVXZULVJTD-QHCPKHFHSA-N 1 1 468.646 3.191 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001303365848 1067893319 /nfs/dbraw/zinc/89/33/19/1067893319.db2.gz GIOWZICXZAUXOY-FQEVSTJZSA-N 1 1 495.672 3.044 20 0 JGADMO Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001304823656 1067893757 /nfs/dbraw/zinc/89/37/57/1067893757.db2.gz VWTGQWZELRSZOA-LJQANCHMSA-N 1 1 456.557 3.279 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001303366192 1067894503 /nfs/dbraw/zinc/89/45/03/1067894503.db2.gz JYUDKLQNTHYZMX-HSZRJFAPSA-N 1 1 469.678 3.276 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001303366192 1067894522 /nfs/dbraw/zinc/89/45/22/1067894522.db2.gz JYUDKLQNTHYZMX-HSZRJFAPSA-N 1 1 469.678 3.276 20 0 JGADMO Cc1nnc(N2CCC(OCc3ccccc3F)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304831181 1067896440 /nfs/dbraw/zinc/89/64/40/1067896440.db2.gz RGPMSESDJPYVTB-UHFFFAOYSA-N 1 1 458.626 3.185 20 0 JGADMO CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001303367979 1067897304 /nfs/dbraw/zinc/89/73/04/1067897304.db2.gz IRSMRYKLHSWAPS-YGKRLXNZSA-N 1 1 457.615 3.381 20 0 JGADMO Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001304839862 1067899480 /nfs/dbraw/zinc/89/94/80/1067899480.db2.gz KPYADRISIWXTNW-BJKOFHAPSA-N 1 1 498.672 3.427 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@](C)(O)c1cccs1 ZINC001303370050 1067899768 /nfs/dbraw/zinc/89/97/68/1067899768.db2.gz WDMZKYUJDALDCP-CJFMBICVSA-N 1 1 482.654 3.096 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@](C)(O)c1cccs1 ZINC001303370052 1067899989 /nfs/dbraw/zinc/89/99/89/1067899989.db2.gz WDMZKYUJDALDCP-NBGIEHNGSA-N 1 1 482.654 3.096 20 0 JGADMO Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001304844930 1067901077 /nfs/dbraw/zinc/90/10/77/1067901077.db2.gz JFCFDDARNFTWRA-UHFFFAOYSA-N 1 1 456.610 3.129 20 0 JGADMO Cc1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001304847712 1067902081 /nfs/dbraw/zinc/90/20/81/1067902081.db2.gz PCQMVVCZLZGWSG-UHFFFAOYSA-N 1 1 464.561 3.459 20 0 JGADMO Cc1c(Cl)cccc1N1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001304847798 1067902178 /nfs/dbraw/zinc/90/21/78/1067902178.db2.gz OVVYYPDQYZSRFG-UHFFFAOYSA-N 1 1 451.011 3.240 20 0 JGADMO Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001304850463 1067903728 /nfs/dbraw/zinc/90/37/28/1067903728.db2.gz KSRLOFIQAWYAIQ-FQEVSTJZSA-N 1 1 472.609 3.108 20 0 JGADMO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001304852015 1067904768 /nfs/dbraw/zinc/90/47/68/1067904768.db2.gz QBMANQFIIBWTPY-OAQYLSRUSA-N 1 1 481.689 3.044 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303377432 1067907576 /nfs/dbraw/zinc/90/75/76/1067907576.db2.gz FIUOYHGQNGCANF-GOSISDBHSA-N 1 1 460.026 3.148 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001303378515 1067907782 /nfs/dbraw/zinc/90/77/82/1067907782.db2.gz RUSDFBFLJJHCHX-WOJBJXKFSA-N 1 1 460.667 3.465 20 0 JGADMO Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304860690 1067910089 /nfs/dbraw/zinc/91/00/89/1067910089.db2.gz UWVXAGATJRZOLK-JOCHJYFZSA-N 1 1 481.689 3.068 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC=C(Br)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303382332 1067911376 /nfs/dbraw/zinc/91/13/76/1067911376.db2.gz UJRBUUTXUABIKY-QGZVFWFLSA-N 1 1 487.446 3.352 20 0 JGADMO Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001304866335 1067911744 /nfs/dbraw/zinc/91/17/44/1067911744.db2.gz LMIMZLYFWXRYSM-RTWAWAEBSA-N 1 1 478.435 3.164 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCc1ccc(O)cc1 ZINC001303389847 1067919143 /nfs/dbraw/zinc/91/91/43/1067919143.db2.gz XWMQKZNAGAWMJG-IFMALSPDSA-N 1 1 468.646 3.455 20 0 JGADMO Cc1noc([C@@H](C)N2CCN(c3nnc(Cc4ccccc4C)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001304876616 1067920613 /nfs/dbraw/zinc/92/06/13/1067920613.db2.gz RTDZSUPJNZRGQD-HXUWFJFHSA-N 1 1 466.634 3.092 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCc1nc2c(s1)CCCC2 ZINC001303396390 1067923415 /nfs/dbraw/zinc/92/34/15/1067923415.db2.gz CJBYRHWABWVRKO-UHFFFAOYSA-N 1 1 473.691 3.305 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303397480 1067926501 /nfs/dbraw/zinc/92/65/01/1067926501.db2.gz KKYDHUAYRXDBKI-FUPPJEDESA-N 1 1 498.672 3.272 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303397480 1067926508 /nfs/dbraw/zinc/92/65/08/1067926508.db2.gz KKYDHUAYRXDBKI-FUPPJEDESA-N 1 1 498.672 3.272 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc[nH+]c1C ZINC001304882187 1067927088 /nfs/dbraw/zinc/92/70/88/1067927088.db2.gz OQXHLLIKALEMDE-UHFFFAOYSA-N 1 1 459.352 3.482 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001303407248 1067934173 /nfs/dbraw/zinc/93/41/73/1067934173.db2.gz CUAOTBVNDQNPIM-PUHATCMVSA-N 1 1 468.646 3.188 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001303409547 1067936038 /nfs/dbraw/zinc/93/60/38/1067936038.db2.gz JFPSMRNUCOESHZ-PZJWPPBQSA-N 1 1 474.675 3.395 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303413006 1067939143 /nfs/dbraw/zinc/93/91/43/1067939143.db2.gz BJTQRFZZXAYPBV-OAQYLSRUSA-N 1 1 458.582 3.008 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303413855 1067939781 /nfs/dbraw/zinc/93/97/81/1067939781.db2.gz FILJEAZRLQOPJX-QFQXNSOFSA-N 1 1 468.646 3.433 20 0 JGADMO Cc1cc(Cn2c(Cc3ccccc3F)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)on1 ZINC001304900387 1067944011 /nfs/dbraw/zinc/94/40/11/1067944011.db2.gz NYFUTGXWYCAGCR-UHFFFAOYSA-N 1 1 456.566 3.147 20 0 JGADMO Cc1cc(CN2CCN(c3nnc(Cc4ccsc4)n3CCC[N@H+](C)C(C)C)CC2)on1 ZINC001304901188 1067944517 /nfs/dbraw/zinc/94/45/17/1067944517.db2.gz BJFBHCBQAGHHKT-UHFFFAOYSA-N 1 1 457.648 3.279 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303417002 1067944923 /nfs/dbraw/zinc/94/49/23/1067944923.db2.gz RIOISACQDJVJHJ-AEFFLSMTSA-N 1 1 489.690 3.231 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+](C)C1CCCCC1 ZINC001304903092 1067947411 /nfs/dbraw/zinc/94/74/11/1067947411.db2.gz MJOCWSGVRLVVGO-QGZVFWFLSA-N 1 1 476.572 3.478 20 0 JGADMO CC(C)NC(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303422961 1067948291 /nfs/dbraw/zinc/94/82/91/1067948291.db2.gz IAJXKWGLBBODPL-RBUKOAKNSA-N 1 1 458.582 3.146 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001303426567 1067951596 /nfs/dbraw/zinc/95/15/96/1067951596.db2.gz VBLDPNIYEIUQQS-UNMCSNQZSA-N 1 1 476.629 3.139 20 0 JGADMO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc(I)cc1C(F)(F)F ZINC001303428144 1067953091 /nfs/dbraw/zinc/95/30/91/1067953091.db2.gz XIRNSVITYNUNKN-NSHDSACASA-N 1 1 455.262 3.193 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001304910960 1067954170 /nfs/dbraw/zinc/95/41/70/1067954170.db2.gz JSXCGKYZQGYICY-JZXOWHBKSA-N 1 1 467.540 3.259 20 0 JGADMO CC(C)NC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001303430491 1067955273 /nfs/dbraw/zinc/95/52/73/1067955273.db2.gz ISQCRCAEHUYCNW-UHFFFAOYSA-N 1 1 458.626 3.479 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304911474 1067955325 /nfs/dbraw/zinc/95/53/25/1067955325.db2.gz MICPLYYAVXJPOQ-ZCNNSNEGSA-N 1 1 468.712 3.415 20 0 JGADMO CC(C)NC(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001303430870 1067955521 /nfs/dbraw/zinc/95/55/21/1067955521.db2.gz PJMBXMZAOPHTNV-UHFFFAOYSA-N 1 1 470.618 3.306 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912057 1067955674 /nfs/dbraw/zinc/95/56/74/1067955674.db2.gz ONMUUVDMWYCPOE-RZUBCFFCSA-N 1 1 474.694 3.426 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912549 1067956398 /nfs/dbraw/zinc/95/63/98/1067956398.db2.gz QRZFSAIGYZOMRI-OTWHNJEPSA-N 1 1 474.675 3.339 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304913023 1067957139 /nfs/dbraw/zinc/95/71/39/1067957139.db2.gz SELZQVYEONTIOL-QHAWAJNXSA-N 1 1 460.667 3.132 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303435827 1067958782 /nfs/dbraw/zinc/95/87/82/1067958782.db2.gz FGVGAAOLHJDFQQ-LJQANCHMSA-N 1 1 468.602 3.153 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303441560 1067963489 /nfs/dbraw/zinc/96/34/89/1067963489.db2.gz MXULLNRRIFAFHB-GMKZXUHWSA-N 1 1 482.673 3.434 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3ccccc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001304922471 1067963673 /nfs/dbraw/zinc/96/36/73/1067963673.db2.gz AAPAWILHZLCFCL-OYRHEFFESA-N 1 1 488.702 3.221 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001304924069 1067966290 /nfs/dbraw/zinc/96/62/90/1067966290.db2.gz HFWYBHNQQNVODE-SVFBPWRDSA-N 1 1 476.666 3.253 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C3CCCC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001304924764 1067967724 /nfs/dbraw/zinc/96/77/24/1067967724.db2.gz JPAONWIEANJFQV-ZVDOUQERSA-N 1 1 451.681 3.317 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccccc3F)nnc2N2CCNC(=O)CC2)C1 ZINC001304925022 1067968073 /nfs/dbraw/zinc/96/80/73/1067968073.db2.gz KMIAXTRDKXHIJM-BGYRXZFFSA-N 1 1 456.610 3.092 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925303 1067968664 /nfs/dbraw/zinc/96/86/64/1067968664.db2.gz LGMPDFMAOSXMFC-FUPPJEDESA-N 1 1 474.694 3.427 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001304925833 1067969488 /nfs/dbraw/zinc/96/94/88/1067969488.db2.gz PBCQYTRVKNEYBT-BBWFWOEESA-N 1 1 463.001 3.417 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925852 1067969492 /nfs/dbraw/zinc/96/94/92/1067969492.db2.gz PDROFUZBYOTISK-BBWFWOEESA-N 1 1 494.482 3.114 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001304925839 1067969504 /nfs/dbraw/zinc/96/95/04/1067969504.db2.gz PBCQYTRVKNEYBT-IXDOHACOSA-N 1 1 463.001 3.417 20 0 JGADMO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001303448458 1067969709 /nfs/dbraw/zinc/96/97/09/1067969709.db2.gz PJYLAXODLBUIBT-IRLDBZIGSA-N 1 1 463.630 3.298 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cnccn2)C1 ZINC001304926752 1067971256 /nfs/dbraw/zinc/97/12/56/1067971256.db2.gz HEBDSHCYNHUIGP-KDURUIRLSA-N 1 1 482.658 3.064 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCOC(C)(C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001304927859 1067973980 /nfs/dbraw/zinc/97/39/80/1067973980.db2.gz KPITXLNAXGFCRN-BKSPAHHJSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCOC(C)(C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001304927868 1067974686 /nfs/dbraw/zinc/97/46/86/1067974686.db2.gz KPITXLNAXGFCRN-TYBLODHISA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)NC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001303454512 1067974719 /nfs/dbraw/zinc/97/47/19/1067974719.db2.gz RTZXKRQBHSXECA-UHFFFAOYSA-N 1 1 474.581 3.055 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001304928105 1067975214 /nfs/dbraw/zinc/97/52/14/1067975214.db2.gz MHGXMBKJLLGISK-JSXRDJHFSA-N 1 1 465.708 3.421 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccncc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001304928306 1067975731 /nfs/dbraw/zinc/97/57/31/1067975731.db2.gz ZNDKTWMOHIFPJF-XJUOHMSHSA-N 1 1 488.702 3.035 20 0 JGADMO C[C@H]1C[C@@H](N(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304947062 1067998679 /nfs/dbraw/zinc/99/86/79/1067998679.db2.gz FJMFWNDAHZHOJJ-UNMCSNQZSA-N 1 1 490.718 3.247 20 0 JGADMO C[C@H]1C[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304948675 1067999598 /nfs/dbraw/zinc/99/95/98/1067999598.db2.gz CABUFOKUXCUKFK-VNTMZGSJSA-N 1 1 476.666 3.252 20 0 JGADMO C[C@H]1C[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304948675 1067999606 /nfs/dbraw/zinc/99/96/06/1067999606.db2.gz CABUFOKUXCUKFK-VNTMZGSJSA-N 1 1 476.666 3.252 20 0 JGADMO C[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001304952744 1068001099 /nfs/dbraw/zinc/00/10/99/1068001099.db2.gz QUEYDYMUVVAFHK-QPPBQGQZSA-N 1 1 496.681 3.188 20 0 JGADMO C[C@H]1C[C@@H](N(C)c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304953212 1068001218 /nfs/dbraw/zinc/00/12/18/1068001218.db2.gz RDDXUVMWXGIQQG-REWPJTCUSA-N 1 1 488.702 3.316 20 0 JGADMO C[C@@H]1C[C@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304961856 1068005658 /nfs/dbraw/zinc/00/56/58/1068005658.db2.gz POBQPSOYBKCRJM-GUDVDZBRSA-N 1 1 462.639 3.478 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCOC1 ZINC001303482946 1068005856 /nfs/dbraw/zinc/00/58/56/1068005856.db2.gz CKOUQNIEZOGBOU-OYSWMMLKSA-N 1 1 493.693 3.212 20 0 JGADMO C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1 ZINC001303485189 1068007796 /nfs/dbraw/zinc/00/77/96/1068007796.db2.gz BTGZUARPUQIQKG-PGRDOPGGSA-N 1 1 455.986 3.050 20 0 JGADMO C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1 ZINC001303485187 1068007865 /nfs/dbraw/zinc/00/78/65/1068007865.db2.gz BTGZUARPUQIQKG-AVRDEDQJSA-N 1 1 455.986 3.050 20 0 JGADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC001303485225 1068007950 /nfs/dbraw/zinc/00/79/50/1068007950.db2.gz CLSQGZVZRJGBDK-NRFANRHFSA-N 1 1 452.942 3.110 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303485978 1068008505 /nfs/dbraw/zinc/00/85/05/1068008505.db2.gz WWKKIHHDODTHQG-RXVVDRJESA-N 1 1 477.572 3.064 20 0 JGADMO COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1-c1ccccc1 ZINC001303486998 1068009416 /nfs/dbraw/zinc/00/94/16/1068009416.db2.gz VOUDBFQTGLVJJY-VWLOTQADSA-N 1 1 457.574 3.477 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001303487378 1068010037 /nfs/dbraw/zinc/01/00/37/1068010037.db2.gz KEVNVHUFTWGJEG-CVDCTZTESA-N 1 1 485.620 3.301 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001303487378 1068010050 /nfs/dbraw/zinc/01/00/50/1068010050.db2.gz KEVNVHUFTWGJEG-CVDCTZTESA-N 1 1 485.620 3.301 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCC(F)(F)C2)CCOC1 ZINC001303487377 1068010073 /nfs/dbraw/zinc/01/00/73/1068010073.db2.gz KEVNVHUFTWGJEG-AUSIDOKSSA-N 1 1 485.620 3.301 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCC(F)(F)C2)CCOC1 ZINC001303487377 1068010089 /nfs/dbraw/zinc/01/00/89/1068010089.db2.gz KEVNVHUFTWGJEG-AUSIDOKSSA-N 1 1 485.620 3.301 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)C2CCCC2)CCOC1 ZINC001303489566 1068013891 /nfs/dbraw/zinc/01/38/91/1068013891.db2.gz LDPXIEXUSMZWMK-LQBOVUBWSA-N 1 1 489.583 3.349 20 0 JGADMO CC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304973968 1068013973 /nfs/dbraw/zinc/01/39/73/1068013973.db2.gz DDKJRZYLASVINV-XABBQPORSA-N 1 1 460.667 3.477 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001304974627 1068014242 /nfs/dbraw/zinc/01/42/42/1068014242.db2.gz KIGQXEROHQBRAZ-YZDRJCRTSA-N 1 1 451.681 3.316 20 0 JGADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3cccnc3)n2CC(F)(F)Br)CC1 ZINC001304977105 1068016073 /nfs/dbraw/zinc/01/60/73/1068016073.db2.gz QATASPWRFRHLHQ-CALCHBBNSA-N 1 1 498.420 3.323 20 0 JGADMO CC1CCC(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001304979630 1068017762 /nfs/dbraw/zinc/01/77/62/1068017762.db2.gz RRLMXBWIBGBLKZ-CHJDIFOWSA-N 1 1 476.666 3.432 20 0 JGADMO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)CSc2nc3ccccc3s2)CC1 ZINC001303494182 1068019734 /nfs/dbraw/zinc/01/97/34/1068019734.db2.gz RQEJREZPXMHLKT-UHFFFAOYSA-N 1 1 450.630 3.494 20 0 JGADMO CC1CCC([NH+]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCSC(F)(F)F)CC2)CC1 ZINC001304981055 1068020772 /nfs/dbraw/zinc/02/07/72/1068020772.db2.gz XSEDJWLUFKCDAQ-CGZBRXJRSA-N 1 1 495.637 3.134 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCOC1 ZINC001303495933 1068022057 /nfs/dbraw/zinc/02/20/57/1068022057.db2.gz SEPXPBMRIYVYBF-OZXSUGGESA-N 1 1 477.694 3.428 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303497282 1068024822 /nfs/dbraw/zinc/02/48/22/1068024822.db2.gz QWQVIIAANDPWDM-AREMUKBSSA-N 1 1 493.693 3.213 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001303497282 1068024834 /nfs/dbraw/zinc/02/48/34/1068024834.db2.gz QWQVIIAANDPWDM-AREMUKBSSA-N 1 1 493.693 3.213 20 0 JGADMO COc1ccc(-c2cncc(C(=O)NCC[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)c2)cc1 ZINC001303498314 1068026001 /nfs/dbraw/zinc/02/60/01/1068026001.db2.gz RDHSNZZYJZPLNH-UHFFFAOYSA-N 1 1 454.571 3.476 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2cccc(N(C)C)c2)CCOC1 ZINC001303500989 1068028316 /nfs/dbraw/zinc/02/83/16/1068028316.db2.gz KOHPCVAXKXUZHE-AREMUKBSSA-N 1 1 470.662 3.354 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC[C@H]3C(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303501307 1068029470 /nfs/dbraw/zinc/02/94/70/1068029470.db2.gz MTAZWTCRUKWHPK-OTNCWRBYSA-N 1 1 463.667 3.444 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303502599 1068033006 /nfs/dbraw/zinc/03/30/06/1068033006.db2.gz OANXFCOCXWBTBY-RXVVDRJESA-N 1 1 477.572 3.207 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303502598 1068033121 /nfs/dbraw/zinc/03/31/21/1068033121.db2.gz OANXFCOCXWBTBY-NQIIRXRSSA-N 1 1 477.572 3.207 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001304994901 1068036866 /nfs/dbraw/zinc/03/68/66/1068036866.db2.gz FIQDZQXNUXRZFU-PKTZIBPZSA-N 1 1 487.737 3.483 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001304994899 1068037025 /nfs/dbraw/zinc/03/70/25/1068037025.db2.gz FIQDZQXNUXRZFU-DHIUTWEWSA-N 1 1 487.737 3.483 20 0 JGADMO CC(C)O[C@@]1(c2nnc(Nc3ccn(C)n3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303510320 1068045105 /nfs/dbraw/zinc/04/51/05/1068045105.db2.gz SOZXMYQIJOONNF-DVECYGJZSA-N 1 1 453.591 3.316 20 0 JGADMO C[C@H]1CCCC[C@H]1OCCn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305004454 1068047004 /nfs/dbraw/zinc/04/70/04/1068047004.db2.gz MJMVMJZMWVGPBC-JTHBVZDNSA-N 1 1 470.662 3.406 20 0 JGADMO C[C@H]1CCCC[C@H]1OCCn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305004454 1068047008 /nfs/dbraw/zinc/04/70/08/1068047008.db2.gz MJMVMJZMWVGPBC-JTHBVZDNSA-N 1 1 470.662 3.406 20 0 JGADMO CC(C)OC1CCN(c2nnc(C(C)(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001303516724 1068049914 /nfs/dbraw/zinc/04/99/14/1068049914.db2.gz AECQABUGPIMYGK-HSZRJFAPSA-N 1 1 451.681 3.177 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001305012053 1068052355 /nfs/dbraw/zinc/05/23/55/1068052355.db2.gz IEAYFLLTLWAJIC-RDGPPVDQSA-N 1 1 498.694 3.189 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001305012053 1068052365 /nfs/dbraw/zinc/05/23/65/1068052365.db2.gz IEAYFLLTLWAJIC-RDGPPVDQSA-N 1 1 498.694 3.189 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001305012731 1068052825 /nfs/dbraw/zinc/05/28/25/1068052825.db2.gz BCXOKKROLYCONJ-CTNGQTDRSA-N 1 1 465.708 3.491 20 0 JGADMO CNC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001303520578 1068053147 /nfs/dbraw/zinc/05/31/47/1068053147.db2.gz JNGPXNDYCQBRMP-RJGXRXQPSA-N 1 1 455.002 3.476 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305012925 1068053555 /nfs/dbraw/zinc/05/35/55/1068053555.db2.gz CVHGHOZLKBQLIR-OTPAQWSUSA-N 1 1 460.667 3.012 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cccn2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305013383 1068054059 /nfs/dbraw/zinc/05/40/59/1068054059.db2.gz HKTBPURTUOYGGF-RTWAWAEBSA-N 1 1 476.691 3.342 20 0 JGADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305013843 1068054708 /nfs/dbraw/zinc/05/47/08/1068054708.db2.gz ACVHFWHZOQHVAD-VQTJNVASSA-N 1 1 499.685 3.393 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305014473 1068055428 /nfs/dbraw/zinc/05/54/28/1068055428.db2.gz GBZZBCZRYKCOSH-IBGZPJMESA-N 1 1 472.638 3.000 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305014474 1068056105 /nfs/dbraw/zinc/05/61/05/1068056105.db2.gz GBZZBCZRYKCOSH-LJQANCHMSA-N 1 1 472.638 3.000 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305014669 1068056246 /nfs/dbraw/zinc/05/62/46/1068056246.db2.gz UKCDRUCQBKOUSY-OPAMFIHVSA-N 1 1 492.466 3.392 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305015012 1068056536 /nfs/dbraw/zinc/05/65/36/1068056536.db2.gz JDXVVPVHPQGRRK-UGKGYDQZSA-N 1 1 477.650 3.286 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001305015348 1068057296 /nfs/dbraw/zinc/05/72/96/1068057296.db2.gz DNJPGZZSYRVUPK-OTPAQWSUSA-N 1 1 495.734 3.476 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCSCCCO)C1 ZINC001305015272 1068057590 /nfs/dbraw/zinc/05/75/90/1068057590.db2.gz VOEHEFLZACYQSS-BHIFYINESA-N 1 1 465.708 3.379 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)C1 ZINC001305015484 1068058279 /nfs/dbraw/zinc/05/82/79/1068058279.db2.gz XDFBNTSHYNPXIW-UXHICEINSA-N 1 1 469.634 3.177 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001305015751 1068058915 /nfs/dbraw/zinc/05/89/15/1068058915.db2.gz DYOZMTCAIUEUDV-PMACEKPBSA-N 1 1 455.607 3.195 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305015842 1068059126 /nfs/dbraw/zinc/05/91/26/1068059126.db2.gz FZCJINCMUCHWCJ-WOJBJXKFSA-N 1 1 499.685 3.469 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001305016337 1068060217 /nfs/dbraw/zinc/06/02/17/1068060217.db2.gz HHBBQNKCXAIMPU-SFHVURJKSA-N 1 1 498.594 3.403 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CCCc2ccccn2)C1 ZINC001305016706 1068060463 /nfs/dbraw/zinc/06/04/63/1068060463.db2.gz ATUAKKGPPLTYEQ-OAQYLSRUSA-N 1 1 467.662 3.489 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCCC[C@@H]2C)CC(=O)N1C ZINC001305017302 1068060857 /nfs/dbraw/zinc/06/08/57/1068060857.db2.gz KPOGEFWAYWYCMD-RBUKOAKNSA-N 1 1 474.600 3.469 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCCC[C@H]2C)CC(=O)N1C ZINC001305017303 1068061243 /nfs/dbraw/zinc/06/12/43/1068061243.db2.gz KPOGEFWAYWYCMD-RTBURBONSA-N 1 1 474.600 3.469 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC001303531960 1068061183 /nfs/dbraw/zinc/06/11/83/1068061183.db2.gz UVPIBOZXKZWJCP-ZEQRLZLVSA-N 1 1 485.673 3.497 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001305018654 1068063502 /nfs/dbraw/zinc/06/35/02/1068063502.db2.gz UJIRUFMHQMQFBA-IRLDBZIGSA-N 1 1 499.660 3.335 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCO1 ZINC001303535461 1068063818 /nfs/dbraw/zinc/06/38/18/1068063818.db2.gz DSXBHLNHKDGWPP-DNQXCXABSA-N 1 1 485.673 3.112 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001305018800 1068064470 /nfs/dbraw/zinc/06/44/70/1068064470.db2.gz KCUHBMSQOYBGHX-RXVVDRJESA-N 1 1 493.649 3.130 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001303535976 1068064784 /nfs/dbraw/zinc/06/47/84/1068064784.db2.gz HKPUESOSJMENKA-GGAORHGYSA-N 1 1 456.635 3.015 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305018952 1068065139 /nfs/dbraw/zinc/06/51/39/1068065139.db2.gz UZZVSMDVNWZLLI-NJDAHSKKSA-N 1 1 476.666 3.492 20 0 JGADMO CC(C)OCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303537566 1068066318 /nfs/dbraw/zinc/06/63/18/1068066318.db2.gz BHMXANHPWYDLIB-IBGZPJMESA-N 1 1 463.026 3.357 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305019895 1068066788 /nfs/dbraw/zinc/06/67/88/1068066788.db2.gz OBDGFIHWHSYGHW-HKUYNNGSSA-N 1 1 465.689 3.064 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1 ZINC001305020125 1068067406 /nfs/dbraw/zinc/06/74/06/1068067406.db2.gz SXLUKLQRWUXLHV-LJQANCHMSA-N 1 1 460.648 3.060 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305020454 1068068829 /nfs/dbraw/zinc/06/88/29/1068068829.db2.gz QSUQGOCXTUHPMH-UXHICEINSA-N 1 1 481.707 3.085 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001305020661 1068069515 /nfs/dbraw/zinc/06/95/15/1068069515.db2.gz CYLGJPKBSWRFKC-WBVHZDCISA-N 1 1 454.541 3.439 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001305021680 1068071175 /nfs/dbraw/zinc/07/11/75/1068071175.db2.gz WPDLFKDCXKMPFR-PMACEKPBSA-N 1 1 476.666 3.350 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1 ZINC001305021738 1068071242 /nfs/dbraw/zinc/07/12/42/1068071242.db2.gz ZOHPGBAJIRCIHP-IFMALSPDSA-N 1 1 459.660 3.471 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001305021718 1068071439 /nfs/dbraw/zinc/07/14/39/1068071439.db2.gz ZKWZQCAJXHKMIM-CIAFKFPVSA-N 1 1 495.734 3.475 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001305021722 1068071656 /nfs/dbraw/zinc/07/16/56/1068071656.db2.gz ZKWZQCAJXHKMIM-FNAHDJPLSA-N 1 1 495.734 3.475 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCN1CC(F)(F)F ZINC001305021911 1068072072 /nfs/dbraw/zinc/07/20/72/1068072072.db2.gz INTCZNMJKYQDBB-ZWKOTPCHSA-N 1 1 482.599 3.262 20 0 JGADMO CC(C)OCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001303543961 1068072428 /nfs/dbraw/zinc/07/24/28/1068072428.db2.gz XDARFVFWWMLPBW-OFNKIYASSA-N 1 1 459.610 3.370 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022138 1068072585 /nfs/dbraw/zinc/07/25/85/1068072585.db2.gz JTDOAHNSCORYMB-UYAOXDASSA-N 1 1 470.666 3.174 20 0 JGADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001305022364 1068073433 /nfs/dbraw/zinc/07/34/33/1068073433.db2.gz BJHJBPCYXFWFIN-BDXSIMOUSA-N 1 1 498.644 3.484 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305022700 1068073830 /nfs/dbraw/zinc/07/38/30/1068073830.db2.gz MOZDKCCDQPIVPW-MSOLQXFVSA-N 1 1 493.578 3.355 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022896 1068074648 /nfs/dbraw/zinc/07/46/48/1068074648.db2.gz DPNBEGKKSJABBW-SJORKVTESA-N 1 1 494.482 3.365 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023021 1068074904 /nfs/dbraw/zinc/07/49/04/1068074904.db2.gz PDRSUUADHLIHPG-MOPGFXCFSA-N 1 1 491.681 3.030 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001305023314 1068076010 /nfs/dbraw/zinc/07/60/10/1068076010.db2.gz GJZIJYWULNSGHS-OALUTQOASA-N 1 1 457.623 3.297 20 0 JGADMO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023425 1068076508 /nfs/dbraw/zinc/07/65/08/1068076508.db2.gz HMCJUPQTZCKABN-ZRNYENFQSA-N 1 1 472.609 3.379 20 0 JGADMO CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303549861 1068076403 /nfs/dbraw/zinc/07/64/03/1068076403.db2.gz HWAJXKWFMMFOCA-RBBKRZOGSA-N 1 1 454.619 3.145 20 0 JGADMO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001305023410 1068076668 /nfs/dbraw/zinc/07/66/68/1068076668.db2.gz HJFXWDRAAQUVGX-ROUUACIJSA-N 1 1 459.616 3.293 20 0 JGADMO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023614 1068076730 /nfs/dbraw/zinc/07/67/30/1068076730.db2.gz CGAKMVLKEZEUKK-NJYVYQBISA-N 1 1 482.677 3.234 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024007 1068077497 /nfs/dbraw/zinc/07/74/97/1068077497.db2.gz JZSJEBLADZZSEF-CEXWTWQISA-N 1 1 467.584 3.477 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023740 1068077517 /nfs/dbraw/zinc/07/75/17/1068077517.db2.gz IWOVXKXSUFJGPL-UXHICEINSA-N 1 1 454.619 3.190 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305024131 1068077813 /nfs/dbraw/zinc/07/78/13/1068077813.db2.gz WJLBUNPIAWRIIG-SFHVURJKSA-N 1 1 470.618 3.145 20 0 JGADMO CC(C)OCCCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001303554330 1068078611 /nfs/dbraw/zinc/07/86/11/1068078611.db2.gz DMRJWFQCDQHEKD-JOCHJYFZSA-N 1 1 474.694 3.424 20 0 JGADMO CC(C)OCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303554325 1068078721 /nfs/dbraw/zinc/07/87/21/1068078721.db2.gz DKKOBKNCVKDRAY-NRFANRHFSA-N 1 1 477.613 3.451 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305024542 1068079038 /nfs/dbraw/zinc/07/90/38/1068079038.db2.gz GYACATFJGVSSFO-SFTDATJTSA-N 1 1 467.662 3.079 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024918 1068079483 /nfs/dbraw/zinc/07/94/83/1068079483.db2.gz JJQIAJARCRMLKT-YEPRJOMISA-N 1 1 469.659 3.173 20 0 JGADMO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025319 1068080172 /nfs/dbraw/zinc/08/01/72/1068080172.db2.gz MLGDFJNUIKUXLM-RBUKOAKNSA-N 1 1 456.610 3.220 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025428 1068080238 /nfs/dbraw/zinc/08/02/38/1068080238.db2.gz QZRKNAQTLYPDEJ-IAGOWNOFSA-N 1 1 460.026 3.206 20 0 JGADMO C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025567 1068080768 /nfs/dbraw/zinc/08/07/68/1068080768.db2.gz NIIPWFFFLJFRQP-QZTJIDSGSA-N 1 1 460.623 3.378 20 0 JGADMO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001303555042 1068080724 /nfs/dbraw/zinc/08/07/24/1068080724.db2.gz WIDZSSKTXAKTAI-GMAHTHKFSA-N 1 1 468.646 3.428 20 0 JGADMO C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001305025569 1068080821 /nfs/dbraw/zinc/08/08/21/1068080821.db2.gz NIIPWFFFLJFRQP-ZWKOTPCHSA-N 1 1 460.623 3.378 20 0 JGADMO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025587 1068081025 /nfs/dbraw/zinc/08/10/25/1068081025.db2.gz NLEXAQWABWMNHJ-HBFSDRIKSA-N 1 1 462.639 3.306 20 0 JGADMO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001303555219 1068080880 /nfs/dbraw/zinc/08/08/80/1068080880.db2.gz YUTIWIWAVJMSRL-OAQYLSRUSA-N 1 1 460.667 3.420 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CC(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025719 1068081086 /nfs/dbraw/zinc/08/10/86/1068081086.db2.gz TXNLPDUWBMSJGY-FGTMMUONSA-N 1 1 460.026 3.206 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305026123 1068081255 /nfs/dbraw/zinc/08/12/55/1068081255.db2.gz PVSJTISRLZANNN-YSFYHYPLSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305026121 1068081613 /nfs/dbraw/zinc/08/16/13/1068081613.db2.gz PVSJTISRLZANNN-CZYKHXBRSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)OCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001303556266 1068082136 /nfs/dbraw/zinc/08/21/36/1068082136.db2.gz KCDTULPALLYBSC-IPJJNNNSSA-N 1 1 461.582 3.139 20 0 JGADMO CC(C)OCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001303556265 1068082231 /nfs/dbraw/zinc/08/22/31/1068082231.db2.gz KCDTULPALLYBSC-DXIQSLLYSA-N 1 1 461.582 3.139 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026363 1068082591 /nfs/dbraw/zinc/08/25/91/1068082591.db2.gz WLQQYNJIEZBEOQ-AABGKKOBSA-N 1 1 491.681 3.030 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCCO1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026998 1068082977 /nfs/dbraw/zinc/08/29/77/1068082977.db2.gz YUNLKMAFWJKPHO-VAMGGRTRSA-N 1 1 455.607 3.051 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026655 1068083199 /nfs/dbraw/zinc/08/31/99/1068083199.db2.gz XDIQEZTVVQNWOF-RTBURBONSA-N 1 1 460.598 3.191 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305027452 1068084084 /nfs/dbraw/zinc/08/40/84/1068084084.db2.gz VIXBCLGVVYBKFS-SFTDATJTSA-N 1 1 467.662 3.079 20 0 JGADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028141 1068084400 /nfs/dbraw/zinc/08/44/00/1068084400.db2.gz XQDPCSFCKZGKHX-LMMKCTJWSA-N 1 1 491.624 3.469 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305028038 1068084781 /nfs/dbraw/zinc/08/47/81/1068084781.db2.gz CHXGKJLUEGXIMN-LEWJYISDSA-N 1 1 486.636 3.421 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028557 1068085000 /nfs/dbraw/zinc/08/50/00/1068085000.db2.gz ZQVFKXQKMXHXLU-ZRNYENFQSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028629 1068085692 /nfs/dbraw/zinc/08/56/92/1068085692.db2.gz HZGBFICOXXFHKE-YPAWHYETSA-N 1 1 452.647 3.241 20 0 JGADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028736 1068086706 /nfs/dbraw/zinc/08/67/06/1068086706.db2.gz JMRYPNDTIJRNKU-HSALFYBXSA-N 1 1 493.649 3.130 20 0 JGADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305029818 1068087904 /nfs/dbraw/zinc/08/79/04/1068087904.db2.gz RMNYDAHWXGCCSR-FGTMMUONSA-N 1 1 462.689 3.332 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305030302 1068088240 /nfs/dbraw/zinc/08/82/40/1068088240.db2.gz VNZQFCKAQJYQSR-APDHKMKFSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCOC2)CC1 ZINC001303566751 1068089078 /nfs/dbraw/zinc/08/90/78/1068089078.db2.gz JWINWRYAJOWDFP-VQTJNVASSA-N 1 1 461.582 3.141 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccccc2-c2cnn(C)c2)CC1 ZINC001303566673 1068089277 /nfs/dbraw/zinc/08/92/77/1068089277.db2.gz GZLHXURBZPBGMM-UHFFFAOYSA-N 1 1 451.619 3.397 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CC(C)(C)C2)CC1 ZINC001303566960 1068090012 /nfs/dbraw/zinc/09/00/12/1068090012.db2.gz NFVPNWFHOXABSJ-VWLOTQADSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001303566985 1068090377 /nfs/dbraw/zinc/09/03/77/1068090377.db2.gz OAVFREGCHPRLQL-UHFFFAOYSA-N 1 1 457.623 3.090 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305041279 1068095666 /nfs/dbraw/zinc/09/56/66/1068095666.db2.gz BZQWUEMRMRLGFY-HXUWFJFHSA-N 1 1 484.645 3.336 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC(=O)N1C ZINC001305041056 1068095790 /nfs/dbraw/zinc/09/57/90/1068095790.db2.gz AYBCIWHKTTTXAI-VQTJNVASSA-N 1 1 472.609 3.175 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305042055 1068097689 /nfs/dbraw/zinc/09/76/89/1068097689.db2.gz HQEHPTQCAKOQOR-SIKLNZKXSA-N 1 1 493.649 3.132 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001305042488 1068098376 /nfs/dbraw/zinc/09/83/76/1068098376.db2.gz IJQBQRSIUWSABJ-LEWJYISDSA-N 1 1 469.634 3.299 20 0 JGADMO CC(C)NC(=O)c1nnc(N2Cc3ccc(Br)cc3C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305043598 1068099526 /nfs/dbraw/zinc/09/95/26/1068099526.db2.gz REYIPIOXWAKAIR-INIZCTEOSA-N 1 1 475.435 3.431 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccn2)C1 ZINC001305043594 1068099783 /nfs/dbraw/zinc/09/97/83/1068099783.db2.gz SRPCGAHGKAJKQE-FQEVSTJZSA-N 1 1 462.602 3.469 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001305044151 1068100791 /nfs/dbraw/zinc/10/07/91/1068100791.db2.gz WWNYKXRMYBPTGA-NNXSRULWSA-N 1 1 474.694 3.376 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044259 1068100809 /nfs/dbraw/zinc/10/08/09/1068100809.db2.gz YRKSHPUXYGAPEL-FRYUTEBBSA-N 1 1 474.675 3.083 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001305044198 1068100820 /nfs/dbraw/zinc/10/08/20/1068100820.db2.gz XLFRKEFVJUZGJE-LJQANCHMSA-N 1 1 472.609 3.210 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(CC3CCCC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001305045091 1068102617 /nfs/dbraw/zinc/10/26/17/1068102617.db2.gz BYPLVOJEUXXOSM-FQEVSTJZSA-N 1 1 459.683 3.373 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001305045884 1068104109 /nfs/dbraw/zinc/10/41/09/1068104109.db2.gz HFFDKKPVROAECT-JOCHJYFZSA-N 1 1 466.674 3.490 20 0 JGADMO CC(C)SCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303579487 1068104088 /nfs/dbraw/zinc/10/40/88/1068104088.db2.gz XILMYQKFDKUVGA-PMACEKPBSA-N 1 1 494.706 3.055 20 0 JGADMO CC(C)SCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303579487 1068104094 /nfs/dbraw/zinc/10/40/94/1068104094.db2.gz XILMYQKFDKUVGA-PMACEKPBSA-N 1 1 494.706 3.055 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC001305047073 1068105320 /nfs/dbraw/zinc/10/53/20/1068105320.db2.gz ATZDBIRUOVVSGE-SIKLNZKXSA-N 1 1 489.686 3.332 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305047516 1068105869 /nfs/dbraw/zinc/10/58/69/1068105869.db2.gz MKOMULRKCNPRGM-PZJWPPBQSA-N 1 1 469.634 3.099 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)C[C@H](C)C2)C1 ZINC001305048258 1068107128 /nfs/dbraw/zinc/10/71/28/1068107128.db2.gz MDXDCEUTUXRXBG-MXEMCNAFSA-N 1 1 451.681 3.175 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001305049018 1068108012 /nfs/dbraw/zinc/10/80/12/1068108012.db2.gz NFEJSDLAWIXASU-MOPGFXCFSA-N 1 1 480.583 3.320 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](C(F)F)C2)C1 ZINC001305048666 1068108037 /nfs/dbraw/zinc/10/80/37/1068108037.db2.gz LANFMHBAQUYOCP-IAGOWNOFSA-N 1 1 466.602 3.483 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001305048961 1068108534 /nfs/dbraw/zinc/10/85/34/1068108534.db2.gz QWIRHLMCZKYOAO-RTBURBONSA-N 1 1 496.077 3.081 20 0 JGADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305049422 1068109100 /nfs/dbraw/zinc/10/91/00/1068109100.db2.gz SKTSHNHVKZDMBD-KNKQGSTJSA-N 1 1 490.674 3.096 20 0 JGADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305049423 1068109136 /nfs/dbraw/zinc/10/91/36/1068109136.db2.gz SKTSHNHVKZDMBD-WOIUINJBSA-N 1 1 490.674 3.096 20 0 JGADMO C[C@H]1N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)CCOC1(C)C ZINC001305049188 1068109184 /nfs/dbraw/zinc/10/91/84/1068109184.db2.gz MXTFLFCSZGNPFR-ZWKOTPCHSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305049622 1068109845 /nfs/dbraw/zinc/10/98/45/1068109845.db2.gz PUJGYBHPDOVSKF-MOPGFXCFSA-N 1 1 454.685 3.027 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303591175 1068111599 /nfs/dbraw/zinc/11/15/99/1068111599.db2.gz XZDQYRCKELHEME-HBFSDRIKSA-N 1 1 463.573 3.495 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001305050192 1068111753 /nfs/dbraw/zinc/11/17/53/1068111753.db2.gz UZRNWNJWATZKAN-INIZCTEOSA-N 1 1 494.541 3.372 20 0 JGADMO C[C@@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303591617 1068112217 /nfs/dbraw/zinc/11/22/17/1068112217.db2.gz NPSWAGRCRNMOLM-CVDCTZTESA-N 1 1 452.578 3.447 20 0 JGADMO C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303591619 1068112293 /nfs/dbraw/zinc/11/22/93/1068112293.db2.gz NPSWAGRCRNMOLM-XXBNENTESA-N 1 1 452.578 3.447 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(Br)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001305050757 1068112585 /nfs/dbraw/zinc/11/25/85/1068112585.db2.gz NBDWWGHXFJKTIB-IRXDYDNUSA-N 1 1 475.435 3.106 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001305050445 1068112681 /nfs/dbraw/zinc/11/26/81/1068112681.db2.gz VATQVEYEAJOVSF-HZPDHXFCSA-N 1 1 481.428 3.207 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305050571 1068113031 /nfs/dbraw/zinc/11/30/31/1068113031.db2.gz VWMWMQBDCUVNDI-CPJSRVTESA-N 1 1 463.667 3.444 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303593768 1068114129 /nfs/dbraw/zinc/11/41/29/1068114129.db2.gz MFHYDFOXKNXCHA-VGOFRKELSA-N 1 1 498.582 3.153 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CCC(F)(F)F)C1 ZINC001305051553 1068114978 /nfs/dbraw/zinc/11/49/78/1068114978.db2.gz PSFZCLXOPLAVLC-INIZCTEOSA-N 1 1 477.535 3.313 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001305052155 1068116143 /nfs/dbraw/zinc/11/61/43/1068116143.db2.gz ZCEDJORLGVRGKS-VXKWHMMOSA-N 1 1 474.694 3.379 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001305052390 1068116211 /nfs/dbraw/zinc/11/62/11/1068116211.db2.gz SRYGUWYKQJMUSA-CABCVRRESA-N 1 1 451.402 3.295 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001305052396 1068116221 /nfs/dbraw/zinc/11/62/21/1068116221.db2.gz SRYGUWYKQJMUSA-HUUCEWRRSA-N 1 1 451.402 3.295 20 0 JGADMO C[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001305053112 1068116880 /nfs/dbraw/zinc/11/68/80/1068116880.db2.gz HSUNOQBNCCAXOQ-YJYMSZOUSA-N 1 1 454.800 3.416 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305053692 1068117641 /nfs/dbraw/zinc/11/76/41/1068117641.db2.gz ZZHFYSGLACULNJ-HRCADAONSA-N 1 1 451.413 3.381 20 0 JGADMO C[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305054872 1068118160 /nfs/dbraw/zinc/11/81/60/1068118160.db2.gz SOWATDRNHBFDTQ-HNNXBMFYSA-N 1 1 451.413 3.146 20 0 JGADMO C[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305054872 1068118163 /nfs/dbraw/zinc/11/81/63/1068118163.db2.gz SOWATDRNHBFDTQ-HNNXBMFYSA-N 1 1 451.413 3.146 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCC[C@H]1C ZINC001305058583 1068121068 /nfs/dbraw/zinc/12/10/68/1068121068.db2.gz IRXZHOWWILLPAI-BZUAXINKSA-N 1 1 472.030 3.480 20 0 JGADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+]1CCC[C@H]1C ZINC001305058586 1068121269 /nfs/dbraw/zinc/12/12/69/1068121269.db2.gz IRXZHOWWILLPAI-PMPSAXMXSA-N 1 1 472.030 3.480 20 0 JGADMO C[C@H]1CCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305058937 1068122252 /nfs/dbraw/zinc/12/22/52/1068122252.db2.gz JNTMYIWAEPAERE-FQEVSTJZSA-N 1 1 488.702 3.144 20 0 JGADMO C[C@H]1CCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305058937 1068122256 /nfs/dbraw/zinc/12/22/56/1068122256.db2.gz JNTMYIWAEPAERE-FQEVSTJZSA-N 1 1 488.702 3.144 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305058886 1068122500 /nfs/dbraw/zinc/12/25/00/1068122500.db2.gz KLNNBVAKRVNYOH-LJQANCHMSA-N 1 1 469.634 3.242 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305059964 1068124385 /nfs/dbraw/zinc/12/43/85/1068124385.db2.gz SDTXPWKPQHZAKT-LJQANCHMSA-N 1 1 471.625 3.122 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060524 1068125287 /nfs/dbraw/zinc/12/52/87/1068125287.db2.gz QEILZJPLNDVJMR-OALUTQOASA-N 1 1 457.623 3.451 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001305060440 1068125300 /nfs/dbraw/zinc/12/53/00/1068125300.db2.gz BVFGDCJKQZEXRJ-HOTGVXAUSA-N 1 1 452.575 3.235 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001305062773 1068130648 /nfs/dbraw/zinc/13/06/48/1068130648.db2.gz QREOOUCHCWOJTJ-IRXDYDNUSA-N 1 1 463.051 3.375 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001305063708 1068133313 /nfs/dbraw/zinc/13/33/13/1068133313.db2.gz ZHFFDBYGGYXNNR-QHCPKHFHSA-N 1 1 474.694 3.377 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303603735 1068135650 /nfs/dbraw/zinc/13/56/50/1068135650.db2.gz TVSKAOZGCBFHIT-GOKJBEJGSA-N 1 1 496.681 3.310 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303603735 1068135655 /nfs/dbraw/zinc/13/56/55/1068135655.db2.gz TVSKAOZGCBFHIT-GOKJBEJGSA-N 1 1 496.681 3.310 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303604180 1068136656 /nfs/dbraw/zinc/13/66/56/1068136656.db2.gz VDOHJPBPEAXXNQ-CVCYQNGTSA-N 1 1 459.660 3.276 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303604180 1068136659 /nfs/dbraw/zinc/13/66/59/1068136659.db2.gz VDOHJPBPEAXXNQ-CVCYQNGTSA-N 1 1 459.660 3.276 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001305072698 1068146206 /nfs/dbraw/zinc/14/62/06/1068146206.db2.gz FZVWANCXJPZOGD-BFUOFWGJSA-N 1 1 454.800 3.274 20 0 JGADMO C[C@H](c1ccccc1)N(C)c1nnc(-c2cccnc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303611711 1068146228 /nfs/dbraw/zinc/14/62/28/1068146228.db2.gz TVVCWPGSUAZRIM-NFBKMPQASA-N 1 1 461.614 3.480 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001305073304 1068146854 /nfs/dbraw/zinc/14/68/54/1068146854.db2.gz CZJVMHQATYLXAL-BJLQDIEVSA-N 1 1 480.704 3.269 20 0 JGADMO C[C@H](c1ccccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC[NH+]1CCOCC1 ZINC001303614458 1068148683 /nfs/dbraw/zinc/14/86/83/1068148683.db2.gz SWHIPNGJSOSMLB-GOSISDBHSA-N 1 1 486.617 3.328 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001303630986 1068162135 /nfs/dbraw/zinc/16/21/35/1068162135.db2.gz UDENMEGEQMWMBV-KRWDZBQOSA-N 1 1 486.646 3.148 20 0 JGADMO C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001305100640 1068167458 /nfs/dbraw/zinc/16/74/58/1068167458.db2.gz YTDRIDDLAUSYSY-VQTJNVASSA-N 1 1 487.718 3.026 20 0 JGADMO C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001305105400 1068173210 /nfs/dbraw/zinc/17/32/10/1068173210.db2.gz FBLAKITYFMCFDA-GHTZIAJQSA-N 1 1 475.037 3.299 20 0 JGADMO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC001305107575 1068176341 /nfs/dbraw/zinc/17/63/41/1068176341.db2.gz JRAYLTMAITVVKZ-DYXWJJEUSA-N 1 1 472.609 3.174 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303652674 1068182756 /nfs/dbraw/zinc/18/27/56/1068182756.db2.gz JQPBZQRZJGBKNR-INIZCTEOSA-N 1 1 489.045 3.330 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303652674 1068182760 /nfs/dbraw/zinc/18/27/60/1068182760.db2.gz JQPBZQRZJGBKNR-INIZCTEOSA-N 1 1 489.045 3.330 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N(C)Cc3ccc(C(N)=O)cc3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111723 1068184049 /nfs/dbraw/zinc/18/40/49/1068184049.db2.gz FVHJMXVKITXOQU-HDICACEKSA-N 1 1 456.635 3.199 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(CCCO)CC2)C[C@H](C)O1 ZINC001305111822 1068184832 /nfs/dbraw/zinc/18/48/32/1068184832.db2.gz DBCWBKGZRABLSG-BGYRXZFFSA-N 1 1 456.635 3.217 20 0 JGADMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001303654073 1068185027 /nfs/dbraw/zinc/18/50/27/1068185027.db2.gz UFAJQVCCZGCBOJ-JCHJZTRSSA-N 1 1 473.536 3.029 20 0 JGADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001303654073 1068185028 /nfs/dbraw/zinc/18/50/28/1068185028.db2.gz UFAJQVCCZGCBOJ-JCHJZTRSSA-N 1 1 473.536 3.029 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC001305112393 1068186713 /nfs/dbraw/zinc/18/67/13/1068186713.db2.gz LKHRHEBKENBQQV-KDURUIRLSA-N 1 1 470.662 3.490 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccccc2)C[C@H](C)O1 ZINC001305112568 1068187383 /nfs/dbraw/zinc/18/73/83/1068187383.db2.gz MRYDDEUVFAYHTM-HBMCJLEFSA-N 1 1 457.619 3.185 20 0 JGADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(Cl)ccn2)C[C@@H](C)O1 ZINC001305112938 1068188036 /nfs/dbraw/zinc/18/80/36/1068188036.db2.gz KVSLDJJCHXFOOT-QZTJIDSGSA-N 1 1 490.052 3.087 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C[C@H](C)O1 ZINC001305113132 1068189177 /nfs/dbraw/zinc/18/91/77/1068189177.db2.gz SAQOGVZTOMYVKO-BGYRXZFFSA-N 1 1 469.609 3.229 20 0 JGADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccco2)C[C@H](C)O1 ZINC001305114373 1068191696 /nfs/dbraw/zinc/19/16/96/1068191696.db2.gz RVBPZXKLFAUYCH-HDICACEKSA-N 1 1 467.574 3.043 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccco2)C[C@H](C)O1 ZINC001305114373 1068191703 /nfs/dbraw/zinc/19/17/03/1068191703.db2.gz RVBPZXKLFAUYCH-HDICACEKSA-N 1 1 467.574 3.043 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001305114520 1068192455 /nfs/dbraw/zinc/19/24/55/1068192455.db2.gz ZHTZDBVBAJLCTO-HKBOAZHASA-N 1 1 476.710 3.153 20 0 JGADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001305114520 1068192459 /nfs/dbraw/zinc/19/24/59/1068192459.db2.gz ZHTZDBVBAJLCTO-HKBOAZHASA-N 1 1 476.710 3.153 20 0 JGADMO C[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC001303663266 1068195133 /nfs/dbraw/zinc/19/51/33/1068195133.db2.gz BCWTYSHIMYNSIX-KNQAVFIVSA-N 1 1 454.619 3.003 20 0 JGADMO C[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC001303663265 1068195148 /nfs/dbraw/zinc/19/51/48/1068195148.db2.gz BCWTYSHIMYNSIX-DENIHFKCSA-N 1 1 454.619 3.003 20 0 JGADMO C[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303664482 1068197472 /nfs/dbraw/zinc/19/74/72/1068197472.db2.gz LEYLKRKZWHELLI-SFHVURJKSA-N 1 1 491.562 3.483 20 0 JGADMO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CC(=O)N(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303666659 1068200530 /nfs/dbraw/zinc/20/05/30/1068200530.db2.gz DWCOMSWFPKXGLZ-KCZVDYSFSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303668006 1068202954 /nfs/dbraw/zinc/20/29/54/1068202954.db2.gz WQSWRWSCDNVFOR-AKIFATBCSA-N 1 1 489.686 3.444 20 0 JGADMO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001303674541 1068212514 /nfs/dbraw/zinc/21/25/14/1068212514.db2.gz NANBSAZJJYSMTD-KBMIEXCESA-N 1 1 478.682 3.380 20 0 JGADMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C[C@@](C)(O)c2ccccc2)CC1 ZINC001303680050 1068216840 /nfs/dbraw/zinc/21/68/40/1068216840.db2.gz VXWVZIATXJEBBQ-TVZXLZGTSA-N 1 1 457.615 3.359 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001305133172 1068219548 /nfs/dbraw/zinc/21/95/48/1068219548.db2.gz JPAYTZBNXUNBIS-HXUWFJFHSA-N 1 1 459.660 3.327 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001303683929 1068221591 /nfs/dbraw/zinc/22/15/91/1068221591.db2.gz GZMFLBZSICOONG-IBGZPJMESA-N 1 1 458.582 3.041 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC001303688057 1068226472 /nfs/dbraw/zinc/22/64/72/1068226472.db2.gz XLYXSSTUJHBROB-HXUWFJFHSA-N 1 1 486.636 3.252 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC001303688301 1068227018 /nfs/dbraw/zinc/22/70/18/1068227018.db2.gz YTCYSVQTRYIEQP-AQNXPRMDSA-N 1 1 472.609 3.002 20 0 JGADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC001303688301 1068227032 /nfs/dbraw/zinc/22/70/32/1068227032.db2.gz YTCYSVQTRYIEQP-AQNXPRMDSA-N 1 1 472.609 3.002 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305136789 1068227045 /nfs/dbraw/zinc/22/70/45/1068227045.db2.gz LRBYXNWLTLKIMW-QAPCUYQASA-N 1 1 487.498 3.333 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001303690311 1068230351 /nfs/dbraw/zinc/23/03/51/1068230351.db2.gz YNWUFYFQRNBMKO-YADHBBJMSA-N 1 1 488.652 3.239 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CCCO1 ZINC001305138347 1068230767 /nfs/dbraw/zinc/23/07/67/1068230767.db2.gz QKDQORQYLOYXHU-QGZVFWFLSA-N 1 1 465.545 3.273 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC(C)(C)C2)CCCO1 ZINC001305138347 1068230786 /nfs/dbraw/zinc/23/07/86/1068230786.db2.gz QKDQORQYLOYXHU-QGZVFWFLSA-N 1 1 465.545 3.273 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303691422 1068231388 /nfs/dbraw/zinc/23/13/88/1068231388.db2.gz DSZYENMBZINTRO-HOTGVXAUSA-N 1 1 475.435 3.282 20 0 JGADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001303691823 1068232367 /nfs/dbraw/zinc/23/23/67/1068232367.db2.gz JXMSZXFLUXLDFM-OAHLLOKOSA-N 1 1 451.413 3.383 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](C)c1ccccc1 ZINC001305140213 1068233943 /nfs/dbraw/zinc/23/39/43/1068233943.db2.gz YZIJMSPVEUAISB-XUVXKRRUSA-N 1 1 474.675 3.003 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+]1CCOCC1 ZINC001303692581 1068234490 /nfs/dbraw/zinc/23/44/90/1068234490.db2.gz ZMJFVXKBDOHTRX-VKJFTORMSA-N 1 1 452.372 3.223 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+]1CCOCC1 ZINC001303692580 1068234730 /nfs/dbraw/zinc/23/47/30/1068234730.db2.gz ZMJFVXKBDOHTRX-RKVPGOIHSA-N 1 1 452.372 3.223 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001303693386 1068235868 /nfs/dbraw/zinc/23/58/68/1068235868.db2.gz GFWGBHKEPQJRGK-FQEVSTJZSA-N 1 1 482.673 3.445 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCS(C)(=O)=O)C1CC1)[N@@H+](C)C1CC1 ZINC001303693391 1068235991 /nfs/dbraw/zinc/23/59/91/1068235991.db2.gz GHVLBPAYGJQOCY-CQSZACIVSA-N 1 1 470.014 3.234 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC[N@H+]2CCCO)CCCO1 ZINC001305142090 1068238511 /nfs/dbraw/zinc/23/85/11/1068238511.db2.gz GXJLGXQEHDLZIB-CVEARBPZSA-N 1 1 484.464 3.231 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303695869 1068239177 /nfs/dbraw/zinc/23/91/77/1068239177.db2.gz WRHSKKMANJUAOK-WBVHZDCISA-N 1 1 488.942 3.262 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001303699624 1068242642 /nfs/dbraw/zinc/24/26/42/1068242642.db2.gz KNNXAKLVIGVFKY-VQTJNVASSA-N 1 1 470.618 3.111 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001305143750 1068243040 /nfs/dbraw/zinc/24/30/40/1068243040.db2.gz LZFZWERLXPSXAR-VQTJNVASSA-N 1 1 475.659 3.228 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)CC(C)(C)O1 ZINC001305144258 1068243867 /nfs/dbraw/zinc/24/38/67/1068243867.db2.gz OCUAMUKSUOQGLQ-GOSISDBHSA-N 1 1 475.659 3.227 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303701474 1068245121 /nfs/dbraw/zinc/24/51/21/1068245121.db2.gz QFEYCEUUJAZHTP-SFHVURJKSA-N 1 1 475.037 3.014 20 0 JGADMO C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303702885 1068246892 /nfs/dbraw/zinc/24/68/92/1068246892.db2.gz GKURIAQUGRMBFB-XLIONFOSSA-N 1 1 455.607 3.268 20 0 JGADMO C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001303703073 1068247030 /nfs/dbraw/zinc/24/70/30/1068247030.db2.gz KAPNLDYNXQLJNW-QRVBRYPASA-N 1 1 457.623 3.212 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CC[N@H+](C2CCC2)C1 ZINC001305148445 1068251527 /nfs/dbraw/zinc/25/15/27/1068251527.db2.gz YRSILVKSNQBCFB-KRWDZBQOSA-N 1 1 466.001 3.447 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCS1 ZINC001305148480 1068251544 /nfs/dbraw/zinc/25/15/44/1068251544.db2.gz YVUOPTQHTWKLAZ-AEFFLSMTSA-N 1 1 451.040 3.172 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001305151439 1068257584 /nfs/dbraw/zinc/25/75/84/1068257584.db2.gz WZQIUQMVLJEDNX-NZQKXSOJSA-N 1 1 482.673 3.146 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)N(C)c1ccccc1 ZINC001303716903 1068264558 /nfs/dbraw/zinc/26/45/58/1068264558.db2.gz HWVLRBKCGHTYRC-FCHUYYIVSA-N 1 1 470.662 3.244 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)N(C)c1ccccc1 ZINC001303716903 1068264564 /nfs/dbraw/zinc/26/45/64/1068264564.db2.gz HWVLRBKCGHTYRC-FCHUYYIVSA-N 1 1 470.662 3.244 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001305163641 1068272608 /nfs/dbraw/zinc/27/26/08/1068272608.db2.gz ANZCJSKWIVRGEU-FQEVSTJZSA-N 1 1 492.628 3.313 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303723540 1068274453 /nfs/dbraw/zinc/27/44/53/1068274453.db2.gz TYMRQBJZEYBACN-IEBWSBKVSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303723540 1068274458 /nfs/dbraw/zinc/27/44/58/1068274458.db2.gz TYMRQBJZEYBACN-IEBWSBKVSA-N 1 1 499.603 3.479 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001303723583 1068274508 /nfs/dbraw/zinc/27/45/08/1068274508.db2.gz UPASAVNTAUBEPV-MOPGFXCFSA-N 1 1 464.655 3.348 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303725922 1068278092 /nfs/dbraw/zinc/27/80/92/1068278092.db2.gz YVFUPUHBRLFOAC-CLOONOSVSA-N 1 1 478.682 3.423 20 0 JGADMO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC001303726545 1068279403 /nfs/dbraw/zinc/27/94/03/1068279403.db2.gz FRVBQVGFYCRZNJ-LAUBAEHRSA-N 1 1 480.078 3.409 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001305168400 1068279454 /nfs/dbraw/zinc/27/94/54/1068279454.db2.gz BELUJTGTLCEHQN-KRWDZBQOSA-N 1 1 458.573 3.119 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303728244 1068282359 /nfs/dbraw/zinc/28/23/59/1068282359.db2.gz KRPWVBUEFYOANQ-PMACEKPBSA-N 1 1 483.661 3.440 20 0 JGADMO C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303735025 1068291803 /nfs/dbraw/zinc/29/18/03/1068291803.db2.gz UNHFTPCNIDXAGH-HXUWFJFHSA-N 1 1 452.647 3.241 20 0 JGADMO C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001303735195 1068292328 /nfs/dbraw/zinc/29/23/28/1068292328.db2.gz WFCJRNIKQJSKNN-FIPFOOKPSA-N 1 1 497.732 3.234 20 0 JGADMO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303738838 1068298857 /nfs/dbraw/zinc/29/88/57/1068298857.db2.gz VXSHQOFXJWMGSH-HOTGVXAUSA-N 1 1 463.051 3.408 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@@H](C)C1 ZINC001305182293 1068299620 /nfs/dbraw/zinc/29/96/20/1068299620.db2.gz YLVXXGNAWWMKHL-IBGZPJMESA-N 1 1 464.655 3.348 20 0 JGADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1[NH+]1CCOCC1 ZINC001305183728 1068301621 /nfs/dbraw/zinc/30/16/21/1068301621.db2.gz LYXKSDLPXDXKTR-AZUAARDMSA-N 1 1 486.627 3.298 20 0 JGADMO C[C@H](Cn1c(N2CC[NH+](C[C@@H]3CCCO3)CC2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001303743541 1068302574 /nfs/dbraw/zinc/30/25/74/1068302574.db2.gz NYUYGWNMKLGFAM-MOPGFXCFSA-N 1 1 464.655 3.132 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001303744977 1068305273 /nfs/dbraw/zinc/30/52/73/1068305273.db2.gz VRCBGYKNKJEANE-PKWOTWBQSA-N 1 1 482.673 3.344 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC(C)(C)O1 ZINC001305187188 1068306095 /nfs/dbraw/zinc/30/60/95/1068306095.db2.gz ICXPJBJEHKRGHB-QGZVFWFLSA-N 1 1 463.573 3.262 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOCC2(C)C)CC(C)(C)O1 ZINC001305187188 1068306111 /nfs/dbraw/zinc/30/61/11/1068306111.db2.gz ICXPJBJEHKRGHB-QGZVFWFLSA-N 1 1 463.573 3.262 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001305188059 1068307752 /nfs/dbraw/zinc/30/77/52/1068307752.db2.gz MKMYJDFKUDLMMG-HOYKHHGWSA-N 1 1 463.573 3.262 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001305188900 1068308646 /nfs/dbraw/zinc/30/86/46/1068308646.db2.gz RLFOZRWHIYYASB-LJQANCHMSA-N 1 1 478.682 3.423 20 0 JGADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001305188900 1068308664 /nfs/dbraw/zinc/30/86/64/1068308664.db2.gz RLFOZRWHIYYASB-LJQANCHMSA-N 1 1 478.682 3.423 20 0 JGADMO C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccon1)C[NH+]1CCOCC1 ZINC001303754571 1068317462 /nfs/dbraw/zinc/31/74/62/1068317462.db2.gz IZIVUARSVSTLTG-QZTJIDSGSA-N 1 1 458.538 3.150 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC001303759576 1068324438 /nfs/dbraw/zinc/32/44/38/1068324438.db2.gz SLNMTHPYKOADPZ-YUMYIRISSA-N 1 1 490.693 3.453 20 0 JGADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCCC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305202500 1068326677 /nfs/dbraw/zinc/32/66/77/1068326677.db2.gz AFUQQXKDQPKKRL-UYAOXDASSA-N 1 1 467.536 3.399 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC001303761050 1068328712 /nfs/dbraw/zinc/32/87/12/1068328712.db2.gz YXSHBGKXAXVNSM-WIYYLYMNSA-N 1 1 491.036 3.216 20 0 JGADMO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)CC1)C[NH+]1CCOCC1 ZINC001303762956 1068330885 /nfs/dbraw/zinc/33/08/85/1068330885.db2.gz KVKUVTIHXWXDTB-QRVBRYPASA-N 1 1 498.619 3.253 20 0 JGADMO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1)C[NH+]1CCOCC1 ZINC001303764108 1068333012 /nfs/dbraw/zinc/33/30/12/1068333012.db2.gz RGYMWMZODLVKHU-JWGDEXKDSA-N 1 1 494.656 3.201 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](C)C1 ZINC001305206836 1068333417 /nfs/dbraw/zinc/33/34/17/1068333417.db2.gz CITSQAFMKBPFSD-RTBURBONSA-N 1 1 460.648 3.149 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001303764592 1068334148 /nfs/dbraw/zinc/33/41/48/1068334148.db2.gz VABPFKFRNVNEGT-KNKQGSTJSA-N 1 1 489.583 3.066 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)C1)C[NH+]1CCOCC1 ZINC001303764602 1068334756 /nfs/dbraw/zinc/33/47/56/1068334756.db2.gz VDTRBYBFMSGCQN-MTQWCTHYSA-N 1 1 451.681 3.107 20 0 JGADMO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC001303765525 1068337103 /nfs/dbraw/zinc/33/71/03/1068337103.db2.gz ZCQHGHVIYVSRFA-SFHVURJKSA-N 1 1 494.562 3.024 20 0 JGADMO CC(C)NC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001305215490 1068350327 /nfs/dbraw/zinc/35/03/27/1068350327.db2.gz FZDLQNVVOUQCRK-SYYKKAFVSA-N 1 1 460.667 3.032 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)CC(C)(C)O1 ZINC001305215997 1068351446 /nfs/dbraw/zinc/35/14/46/1068351446.db2.gz PWDVMSVPRRTYSG-GOSISDBHSA-N 1 1 461.582 3.111 20 0 JGADMO O=C(CNC(=O)c1ccc(Br)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001303773320 1068351963 /nfs/dbraw/zinc/35/19/63/1068351963.db2.gz DOMXXUGAULNQCU-UXHICEINSA-N 1 1 456.384 3.159 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001305217717 1068353815 /nfs/dbraw/zinc/35/38/15/1068353815.db2.gz TYOSJAPTJPZHES-NSHGMRRFSA-N 1 1 462.639 3.448 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001305217716 1068354073 /nfs/dbraw/zinc/35/40/73/1068354073.db2.gz TYOSJAPTJPZHES-HBFSDRIKSA-N 1 1 462.639 3.448 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(CCOc3ccccc3)nnc2N2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001305219581 1068357116 /nfs/dbraw/zinc/35/71/16/1068357116.db2.gz BPIVRNZBKNOWIW-OYRHEFFESA-N 1 1 457.619 3.014 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(CC(C)(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001305220419 1068357388 /nfs/dbraw/zinc/35/73/88/1068357388.db2.gz FSFLWLHLYCKIHB-UYAOXDASSA-N 1 1 459.660 3.186 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N(C)C[C@@H]2CCCOC2)CCCO1 ZINC001305221711 1068361344 /nfs/dbraw/zinc/36/13/44/1068361344.db2.gz LDTRNTRYULKFRH-VWNXMTODSA-N 1 1 455.647 3.427 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H](C)O1 ZINC001305222721 1068363484 /nfs/dbraw/zinc/36/34/84/1068363484.db2.gz QFIQVCWYJKUTIP-ZGJYDULXSA-N 1 1 463.667 3.311 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(C)O ZINC001305222810 1068364003 /nfs/dbraw/zinc/36/40/03/1068364003.db2.gz MYNWJJBFULTDOA-QUCCMNQESA-N 1 1 476.666 3.227 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cc(Br)cn2C)n1CCCOC(F)F ZINC001305223595 1068364951 /nfs/dbraw/zinc/36/49/51/1068364951.db2.gz UGFMPRVZPGABRF-UKRRQHHQSA-N 1 1 473.366 3.348 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(F)cc3)nnc2N(C)C[C@@H]2CCCOC2)C[C@H](C)O1 ZINC001305223700 1068365253 /nfs/dbraw/zinc/36/52/53/1068365253.db2.gz VPPUBTWBXHJYCT-HBMCJLEFSA-N 1 1 475.609 3.358 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(N3CC[C@](O)(c4ccc(F)cc4)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224089 1068365957 /nfs/dbraw/zinc/36/59/57/1068365957.db2.gz WNOUQUNIKKMYAH-KBMIEXCESA-N 1 1 459.610 3.314 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305224602 1068366740 /nfs/dbraw/zinc/36/67/40/1068366740.db2.gz YBOZSJPOXWZRLP-GOTSBHOMSA-N 1 1 454.663 3.093 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305224572 1068367067 /nfs/dbraw/zinc/36/70/67/1068367067.db2.gz XYXRLTRHKBHLAT-KUDFPVQQSA-N 1 1 465.440 3.126 20 0 JGADMO CC(F)(F)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001303786646 1068367110 /nfs/dbraw/zinc/36/71/10/1068367110.db2.gz GFSINFHMMCPULX-MRXNPFEDSA-N 1 1 455.500 3.351 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)C(C)(C)C ZINC001305224661 1068367737 /nfs/dbraw/zinc/36/77/37/1068367737.db2.gz RQFPTHARSQPJMB-UNMCSNQZSA-N 1 1 473.687 3.340 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305225207 1068369611 /nfs/dbraw/zinc/36/96/11/1068369611.db2.gz UBQNUNBFNRMQDV-RTBURBONSA-N 1 1 455.607 3.270 20 0 JGADMO C[C@H](N1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CC=CCC2)CC1)C(F)(F)F ZINC001303792084 1068375608 /nfs/dbraw/zinc/37/56/08/1068375608.db2.gz CLPPDUVPOHLMKM-KRWDZBQOSA-N 1 1 454.566 3.265 20 0 JGADMO C[C@@H]1COCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305232782 1068379091 /nfs/dbraw/zinc/37/90/91/1068379091.db2.gz SDTKBYCHLYQPOZ-TZIWHRDSSA-N 1 1 492.665 3.076 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001305234236 1068383349 /nfs/dbraw/zinc/38/33/49/1068383349.db2.gz MRPXXMUBPDKXFM-LJQANCHMSA-N 1 1 476.616 3.350 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001305234236 1068383364 /nfs/dbraw/zinc/38/33/64/1068383364.db2.gz MRPXXMUBPDKXFM-LJQANCHMSA-N 1 1 476.616 3.350 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 ZINC001305234890 1068384143 /nfs/dbraw/zinc/38/41/43/1068384143.db2.gz YOIBWAXCENPYEJ-AWEZNQCLSA-N 1 1 452.372 3.414 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 ZINC001305234890 1068384159 /nfs/dbraw/zinc/38/41/59/1068384159.db2.gz YOIBWAXCENPYEJ-AWEZNQCLSA-N 1 1 452.372 3.414 20 0 JGADMO C[C@@H]1N(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)CCOC1(C)C ZINC001305240549 1068390356 /nfs/dbraw/zinc/39/03/56/1068390356.db2.gz PNYIJUUKTVFAPV-FQEVSTJZSA-N 1 1 477.613 3.451 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303799087 1068391640 /nfs/dbraw/zinc/39/16/40/1068391640.db2.gz RXRZKJUHLRDEJE-RTWAWAEBSA-N 1 1 481.645 3.265 20 0 JGADMO C[C@H]1N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCC2)CCOC1(C)C ZINC001305241518 1068392128 /nfs/dbraw/zinc/39/21/28/1068392128.db2.gz FIBUQSLCUXRXGZ-QGZVFWFLSA-N 1 1 460.648 3.148 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303801282 1068397077 /nfs/dbraw/zinc/39/70/77/1068397077.db2.gz VIOJSEOTOUWPAX-UXHICEINSA-N 1 1 482.633 3.127 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303801827 1068398543 /nfs/dbraw/zinc/39/85/43/1068398543.db2.gz YRXYCQJJUHDZMS-CTNGQTDRSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303801827 1068398556 /nfs/dbraw/zinc/39/85/56/1068398556.db2.gz YRXYCQJJUHDZMS-CTNGQTDRSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001303811492 1068420578 /nfs/dbraw/zinc/42/05/78/1068420578.db2.gz XILHCPZTCKCPBK-WBVHZDCISA-N 1 1 499.056 3.334 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOCC2(C)C)[C@@H]1C ZINC001305257189 1068421025 /nfs/dbraw/zinc/42/10/25/1068421025.db2.gz SYXHFAGUSSDAEW-HZPDHXFCSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOCC2(C)C)[C@@H]1C ZINC001305257189 1068421030 /nfs/dbraw/zinc/42/10/30/1068421030.db2.gz SYXHFAGUSSDAEW-HZPDHXFCSA-N 1 1 497.507 3.487 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCn2cc[nH+]c2C)C1 ZINC001305260419 1068427481 /nfs/dbraw/zinc/42/74/81/1068427481.db2.gz BGWZKSRYKVQBDX-SFHVURJKSA-N 1 1 473.528 3.247 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCn2cc[nH+]c2C)C1 ZINC001305260415 1068427520 /nfs/dbraw/zinc/42/75/20/1068427520.db2.gz BGWZKSRYKVQBDX-GOSISDBHSA-N 1 1 473.528 3.247 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccs2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001303815695 1068428253 /nfs/dbraw/zinc/42/82/53/1068428253.db2.gz QQDIPNNUSFUONK-MJGOQNOKSA-N 1 1 480.704 3.383 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001305262098 1068432052 /nfs/dbraw/zinc/43/20/52/1068432052.db2.gz GGVWPFBKHXPWHV-GOSISDBHSA-N 1 1 493.027 3.343 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001305264070 1068440517 /nfs/dbraw/zinc/44/05/17/1068440517.db2.gz JYVDGXNWSLRJDP-NRFANRHFSA-N 1 1 488.080 3.120 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001305264070 1068440522 /nfs/dbraw/zinc/44/05/22/1068440522.db2.gz JYVDGXNWSLRJDP-NRFANRHFSA-N 1 1 488.080 3.120 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001305264070 1068440524 /nfs/dbraw/zinc/44/05/24/1068440524.db2.gz JYVDGXNWSLRJDP-NRFANRHFSA-N 1 1 488.080 3.120 20 0 JGADMO CC(C)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001303829008 1068451080 /nfs/dbraw/zinc/45/10/80/1068451080.db2.gz BYDQEEAXPJOGHM-SFHVURJKSA-N 1 1 491.706 3.487 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001303829968 1068453430 /nfs/dbraw/zinc/45/34/30/1068453430.db2.gz GCFBOPCEZJLVPQ-UGESXGAOSA-N 1 1 492.665 3.127 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001305268027 1068456449 /nfs/dbraw/zinc/45/64/49/1068456449.db2.gz QXHAVVQHBUHVDM-YADHBBJMSA-N 1 1 489.064 3.330 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC1=CCCCC1 ZINC001303832176 1068457769 /nfs/dbraw/zinc/45/77/69/1068457769.db2.gz ULFNULYTDSJLPU-SFTDATJTSA-N 1 1 486.686 3.490 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC001303832693 1068459364 /nfs/dbraw/zinc/45/93/64/1068459364.db2.gz YUKXNIHBVAQWMN-IRFCIJBXSA-N 1 1 492.665 3.142 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001305270062 1068464282 /nfs/dbraw/zinc/46/42/82/1068464282.db2.gz VWYMVNKMARTLTQ-NFBKMPQASA-N 1 1 461.614 3.356 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303843152 1068472844 /nfs/dbraw/zinc/47/28/44/1068472844.db2.gz VJEGPTACNRMZGP-WOJBJXKFSA-N 1 1 466.696 3.313 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001305272882 1068473351 /nfs/dbraw/zinc/47/33/51/1068473351.db2.gz VLYVJCMSNLKAQS-RTWAWAEBSA-N 1 1 454.619 3.145 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303843346 1068473443 /nfs/dbraw/zinc/47/34/43/1068473443.db2.gz WIXTUQRVUUOLHG-OALUTQOASA-N 1 1 466.696 3.169 20 0 JGADMO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001305284151 1068485333 /nfs/dbraw/zinc/48/53/33/1068485333.db2.gz BNSPGCPLQPHLNX-PMACEKPBSA-N 1 1 457.619 3.459 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303850864 1068486653 /nfs/dbraw/zinc/48/66/53/1068486653.db2.gz ACFICJBRGJVQHF-IEBWSBKVSA-N 1 1 480.704 3.413 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303850863 1068486664 /nfs/dbraw/zinc/48/66/64/1068486664.db2.gz ACFICJBRGJVQHF-HKUYNNGSSA-N 1 1 480.704 3.413 20 0 JGADMO CCC(C)(C)Cn1c(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305288144 1068490299 /nfs/dbraw/zinc/49/02/99/1068490299.db2.gz CGDSRBGAGKNUJK-AREMUKBSSA-N 1 1 487.693 3.427 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001303851695 1068490398 /nfs/dbraw/zinc/49/03/98/1068490398.db2.gz HLPXDYCUWKNKKK-QYZOEREBSA-N 1 1 498.694 3.333 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001303851695 1068490403 /nfs/dbraw/zinc/49/04/03/1068490403.db2.gz HLPXDYCUWKNKKK-QYZOEREBSA-N 1 1 498.694 3.333 20 0 JGADMO CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001305288477 1068491454 /nfs/dbraw/zinc/49/14/54/1068491454.db2.gz OIKQZRBOWNFMLE-NRFANRHFSA-N 1 1 456.610 3.187 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303853234 1068493055 /nfs/dbraw/zinc/49/30/55/1068493055.db2.gz OPRRKEGEKLHQHL-WIYYLYMNSA-N 1 1 490.674 3.057 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1CC[N@@H+](C)C1CCCC1 ZINC001303853152 1068493064 /nfs/dbraw/zinc/49/30/64/1068493064.db2.gz NZSMRGWOAPUASD-WIYYLYMNSA-N 1 1 460.648 3.104 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccc(C2CC2)c1 ZINC001303855122 1068495262 /nfs/dbraw/zinc/49/52/62/1068495262.db2.gz WCJWEMZVEBSBNK-SFHVURJKSA-N 1 1 474.675 3.125 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(F)c1 ZINC001303859887 1068500519 /nfs/dbraw/zinc/50/05/19/1068500519.db2.gz WRNJLQRVEBRETR-SJORKVTESA-N 1 1 492.646 3.020 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H]1CCCC1(C)C ZINC001303864843 1068502276 /nfs/dbraw/zinc/50/22/76/1068502276.db2.gz IMZRHFBUANBOSV-PKOBYXMFSA-N 1 1 480.704 3.098 20 0 JGADMO CC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001305299447 1068506778 /nfs/dbraw/zinc/50/67/78/1068506778.db2.gz MTBIDRKMXYORMV-KHOMTPLRSA-N 1 1 476.666 3.227 20 0 JGADMO CC[C@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001305307805 1068515898 /nfs/dbraw/zinc/51/58/98/1068515898.db2.gz BXJRRCFJUWUYMO-ZEQRLZLVSA-N 1 1 459.660 3.341 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305309968 1068518974 /nfs/dbraw/zinc/51/89/74/1068518974.db2.gz CLMZZWJPZFBZJR-UUOWRZLLSA-N 1 1 483.642 3.106 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001303887591 1068525478 /nfs/dbraw/zinc/52/54/78/1068525478.db2.gz KJRASQRKQOOIJL-XWSJACJDSA-N 1 1 493.649 3.299 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305317837 1068533562 /nfs/dbraw/zinc/53/35/62/1068533562.db2.gz ITPLYEQIEFXVAX-JIGPKXGUSA-N 1 1 496.425 3.165 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305317837 1068533577 /nfs/dbraw/zinc/53/35/77/1068533577.db2.gz ITPLYEQIEFXVAX-JIGPKXGUSA-N 1 1 496.425 3.165 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305317839 1068533639 /nfs/dbraw/zinc/53/36/39/1068533639.db2.gz ITPLYEQIEFXVAX-YHEJKZAPSA-N 1 1 496.425 3.165 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305317839 1068533647 /nfs/dbraw/zinc/53/36/47/1068533647.db2.gz ITPLYEQIEFXVAX-YHEJKZAPSA-N 1 1 496.425 3.165 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305317724 1068533683 /nfs/dbraw/zinc/53/36/83/1068533683.db2.gz HXUFSUQUVGAYLZ-TZHNIEJDSA-N 1 1 487.645 3.441 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 ZINC001303896673 1068536352 /nfs/dbraw/zinc/53/63/52/1068536352.db2.gz BCYZEXKSTLXTSW-SIKLNZKXSA-N 1 1 461.582 3.283 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001305321706 1068539469 /nfs/dbraw/zinc/53/94/69/1068539469.db2.gz ZQWVBBALXBIEEJ-KHOMTPLRSA-N 1 1 457.619 3.434 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 ZINC001303900054 1068543390 /nfs/dbraw/zinc/54/33/90/1068543390.db2.gz XTUCSUAJKZZOSO-YADARESESA-N 1 1 461.582 3.283 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001303902325 1068546114 /nfs/dbraw/zinc/54/61/14/1068546114.db2.gz WJWWGRGEDMIUFY-TZIWHRDSSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305330021 1068555213 /nfs/dbraw/zinc/55/52/13/1068555213.db2.gz UHYVGNJBDFCKSI-NLFFAJNJSA-N 1 1 451.619 3.188 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305330598 1068556201 /nfs/dbraw/zinc/55/62/01/1068556201.db2.gz SFJVJIFZJFMUTO-KFKQDCOOSA-N 1 1 495.734 3.068 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001305332694 1068562271 /nfs/dbraw/zinc/56/22/71/1068562271.db2.gz YHENKLMEJHVWLY-CLLDFNAGSA-N 1 1 487.645 3.135 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305335029 1068565500 /nfs/dbraw/zinc/56/55/00/1068565500.db2.gz VCFZTMVFXVBTIA-ROYUMMMZSA-N 1 1 460.667 3.117 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305335030 1068565589 /nfs/dbraw/zinc/56/55/89/1068565589.db2.gz VCFZTMVFXVBTIA-ZAZYSFHNSA-N 1 1 460.667 3.117 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001303918408 1068570277 /nfs/dbraw/zinc/57/02/77/1068570277.db2.gz YZRCJZSMZQNSRB-ZWKOTPCHSA-N 1 1 483.592 3.367 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001303921749 1068573296 /nfs/dbraw/zinc/57/32/96/1068573296.db2.gz FOMOOPDVAPPMPS-BXKMTCNYSA-N 1 1 458.582 3.133 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923077 1068575437 /nfs/dbraw/zinc/57/54/37/1068575437.db2.gz NXECPBMAILTNCD-RTBURBONSA-N 1 1 481.638 3.158 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923075 1068575553 /nfs/dbraw/zinc/57/55/53/1068575553.db2.gz NXECPBMAILTNCD-OALUTQOASA-N 1 1 481.638 3.158 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001303925208 1068581049 /nfs/dbraw/zinc/58/10/49/1068581049.db2.gz ZCEWZZCCRCBGQY-RTBURBONSA-N 1 1 472.609 3.489 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303927316 1068586256 /nfs/dbraw/zinc/58/62/56/1068586256.db2.gz VVKCXLWDWYTEKU-ZCNNSNEGSA-N 1 1 472.609 3.379 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305350329 1068594217 /nfs/dbraw/zinc/59/42/17/1068594217.db2.gz BUZQWZLLRBBTSH-NMNUPHIUSA-N 1 1 473.666 3.253 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305350330 1068594398 /nfs/dbraw/zinc/59/43/98/1068594398.db2.gz BUZQWZLLRBBTSH-OFAXGOBFSA-N 1 1 473.666 3.253 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001305351006 1068594783 /nfs/dbraw/zinc/59/47/83/1068594783.db2.gz SAFAEJJLJWRPLY-MWYJAUPDSA-N 1 1 486.661 3.287 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303938537 1068597326 /nfs/dbraw/zinc/59/73/26/1068597326.db2.gz TYDNZOGSWRGUKO-OALUTQOASA-N 1 1 479.622 3.057 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)OC ZINC001305354987 1068602711 /nfs/dbraw/zinc/60/27/11/1068602711.db2.gz UQUQHQAOCUVIKF-UVUJQTEASA-N 1 1 454.619 3.001 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)OC ZINC001305355007 1068603341 /nfs/dbraw/zinc/60/33/41/1068603341.db2.gz XUCIVUVVQMTNJZ-REWPJTCUSA-N 1 1 485.677 3.105 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001305358603 1068609514 /nfs/dbraw/zinc/60/95/14/1068609514.db2.gz DHJUNMLSVGGEHK-LBVMUVSTSA-N 1 1 459.610 3.226 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001305359727 1068611857 /nfs/dbraw/zinc/61/18/57/1068611857.db2.gz GLBWAYLZUAVCMJ-UWUFEASWSA-N 1 1 459.610 3.370 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303950487 1068612154 /nfs/dbraw/zinc/61/21/54/1068612154.db2.gz MNPCFNORDGBKDY-QGZVFWFLSA-N 1 1 460.026 3.219 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CCS(=O)(=O)N(C)C ZINC001305372512 1068627493 /nfs/dbraw/zinc/62/74/93/1068627493.db2.gz WXTOFYHLQWKHMA-JAXLGGSGSA-N 1 1 476.691 3.172 20 0 JGADMO CC[C@H](C)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCC[NH+]1CCN(CC)CC1 ZINC001305386003 1068634399 /nfs/dbraw/zinc/63/43/99/1068634399.db2.gz RNDYBTFKLOIOSJ-KRWDZBQOSA-N 1 1 470.588 3.208 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305390980 1068636066 /nfs/dbraw/zinc/63/60/66/1068636066.db2.gz GMRVWSKIGMNAFV-ACRUOGEOSA-N 1 1 456.635 3.094 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC001305396858 1068639595 /nfs/dbraw/zinc/63/95/95/1068639595.db2.gz DHAPKEXNXDNZTD-MYGLTJDJSA-N 1 1 485.677 3.005 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC001305396858 1068639599 /nfs/dbraw/zinc/63/95/99/1068639599.db2.gz DHAPKEXNXDNZTD-MYGLTJDJSA-N 1 1 485.677 3.005 20 0 JGADMO CC[C@H](C)c1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305399823 1068642074 /nfs/dbraw/zinc/64/20/74/1068642074.db2.gz SWYLBNCFLWBHLJ-NVQXNPDNSA-N 1 1 485.746 3.487 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001305400887 1068642846 /nfs/dbraw/zinc/64/28/46/1068642846.db2.gz DBKXILJKTDCYQV-CNIHBODFSA-N 1 1 484.693 3.303 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCCn1cccn1 ZINC001305403151 1068643552 /nfs/dbraw/zinc/64/35/52/1068643552.db2.gz LOQIMINOAZMPHF-RZUBCFFCSA-N 1 1 453.639 3.331 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305403584 1068644485 /nfs/dbraw/zinc/64/44/85/1068644485.db2.gz MCNUIXKEJCIHCW-OQLXKQOESA-N 1 1 456.683 3.386 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305403584 1068644491 /nfs/dbraw/zinc/64/44/91/1068644491.db2.gz MCNUIXKEJCIHCW-OQLXKQOESA-N 1 1 456.683 3.386 20 0 JGADMO CC[C@@H](C)c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305404905 1068645030 /nfs/dbraw/zinc/64/50/30/1068645030.db2.gz CMVALJXSBMJPPF-IEBWSBKVSA-N 1 1 455.632 3.455 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cc(F)ccc1OC ZINC001305409228 1068648242 /nfs/dbraw/zinc/64/82/42/1068648242.db2.gz BFFFCPOHJIJZIL-SFYKDHMMSA-N 1 1 486.636 3.367 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305409993 1068648688 /nfs/dbraw/zinc/64/86/88/1068648688.db2.gz KVWJLNPAWGJZIG-LLVBAIKDSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cc(F)ccc1OC ZINC001305409233 1068648740 /nfs/dbraw/zinc/64/87/40/1068648740.db2.gz BFFFCPOHJIJZIL-YYDVJCTNSA-N 1 1 486.636 3.367 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001305410667 1068649367 /nfs/dbraw/zinc/64/93/67/1068649367.db2.gz BEXXUVBUKMEBBV-SOUVJXGZSA-N 1 1 489.974 3.403 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1sccc1C ZINC001305410863 1068649987 /nfs/dbraw/zinc/64/99/87/1068649987.db2.gz IOLCOWYIWNWIRI-DSKINZAPSA-N 1 1 458.676 3.393 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCc1sccc1C ZINC001305410866 1068649997 /nfs/dbraw/zinc/64/99/97/1068649997.db2.gz IOLCOWYIWNWIRI-HFSMHLIXSA-N 1 1 458.676 3.393 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(OC)CCCCC1 ZINC001305412022 1068650679 /nfs/dbraw/zinc/65/06/79/1068650679.db2.gz MWIYHIFVWHGKLH-VWPQPMDRSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CCC(=O)N1CCCCCC1 ZINC001305420085 1068656475 /nfs/dbraw/zinc/65/64/75/1068656475.db2.gz LXCDILUPWPWZML-FKBYEOEOSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305424132 1068659420 /nfs/dbraw/zinc/65/94/20/1068659420.db2.gz ZFEGQJDKWCLBGS-SFTDATJTSA-N 1 1 455.651 3.403 20 0 JGADMO CC[C@@H](C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305424131 1068659507 /nfs/dbraw/zinc/65/95/07/1068659507.db2.gz ZFEGQJDKWCLBGS-RTWAWAEBSA-N 1 1 455.651 3.403 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305424698 1068660121 /nfs/dbraw/zinc/66/01/21/1068660121.db2.gz GHIKVYMYYAIFFU-OAQYLSRUSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305424698 1068660124 /nfs/dbraw/zinc/66/01/24/1068660124.db2.gz GHIKVYMYYAIFFU-OAQYLSRUSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305424698 1068660126 /nfs/dbraw/zinc/66/01/26/1068660126.db2.gz GHIKVYMYYAIFFU-OAQYLSRUSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305426051 1068662334 /nfs/dbraw/zinc/66/23/34/1068662334.db2.gz NEGURVNCXNFVHH-FCHUYYIVSA-N 1 1 474.694 3.379 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305426054 1068662381 /nfs/dbraw/zinc/66/23/81/1068662381.db2.gz NEGURVNCXNFVHH-YADHBBJMSA-N 1 1 474.694 3.379 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1ccc(OC)c(OC)c1OC ZINC001305428115 1068666660 /nfs/dbraw/zinc/66/66/60/1068666660.db2.gz BZEQMABTPUNYGP-BCHFMIIMSA-N 1 1 487.645 3.361 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305434030 1068670506 /nfs/dbraw/zinc/67/05/06/1068670506.db2.gz GJHPVCAEUHWWFW-GYCJOSAFSA-N 1 1 453.566 3.436 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1Cc1ccc(OC)c(O)c1 ZINC001305438468 1068673908 /nfs/dbraw/zinc/67/39/08/1068673908.db2.gz HABZXVSCCVXJRE-HXUWFJFHSA-N 1 1 498.672 3.325 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305438461 1068674024 /nfs/dbraw/zinc/67/40/24/1068674024.db2.gz GQSRREHDFMRJOC-MZKRTTBSSA-N 1 1 495.672 3.469 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCc1cccnc1 ZINC001305440717 1068675817 /nfs/dbraw/zinc/67/58/17/1068675817.db2.gz UHISOKJOINJLEM-OAQYLSRUSA-N 1 1 467.662 3.200 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305447912 1068681621 /nfs/dbraw/zinc/68/16/21/1068681621.db2.gz CIPCDBDVEHCVEZ-NZQKXSOJSA-N 1 1 484.693 3.436 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305450027 1068684784 /nfs/dbraw/zinc/68/47/84/1068684784.db2.gz PPGCXJKWZDYPDY-OALUTQOASA-N 1 1 464.655 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305453478 1068690686 /nfs/dbraw/zinc/69/06/86/1068690686.db2.gz AYWPGZRGGYKXMT-YLJYHZDGSA-N 1 1 457.623 3.361 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305454683 1068693234 /nfs/dbraw/zinc/69/32/34/1068693234.db2.gz JCVNDLWTPRKFHJ-XMSQKQJNSA-N 1 1 486.661 3.247 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305459056 1068700453 /nfs/dbraw/zinc/70/04/53/1068700453.db2.gz NJWXLXHBTYMJET-HSALFYBXSA-N 1 1 462.683 3.280 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305485190 1068721904 /nfs/dbraw/zinc/72/19/04/1068721904.db2.gz ISRGEUDTQGJPFP-CTNGQTDRSA-N 1 1 466.696 3.060 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001305488595 1068726570 /nfs/dbraw/zinc/72/65/70/1068726570.db2.gz KKKQOSIJVBJWDF-KNQAVFIVSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001305488595 1068726582 /nfs/dbraw/zinc/72/65/82/1068726582.db2.gz KKKQOSIJVBJWDF-KNQAVFIVSA-N 1 1 459.660 3.253 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001305494081 1068731672 /nfs/dbraw/zinc/73/16/72/1068731672.db2.gz YWGHZJIUBPREDZ-UZINWLIJSA-N 1 1 483.661 3.205 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305496192 1068733239 /nfs/dbraw/zinc/73/32/39/1068733239.db2.gz WUJISXAYXQUFGT-NQIIRXRSSA-N 1 1 458.655 3.141 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305501132 1068735995 /nfs/dbraw/zinc/73/59/95/1068735995.db2.gz NIGWCNYVWWDPPH-BJKOFHAPSA-N 1 1 495.716 3.479 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305504827 1068740283 /nfs/dbraw/zinc/74/02/83/1068740283.db2.gz LNEGOYADGDGAEQ-HXUWFJFHSA-N 1 1 497.644 3.153 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305504827 1068740288 /nfs/dbraw/zinc/74/02/88/1068740288.db2.gz LNEGOYADGDGAEQ-HXUWFJFHSA-N 1 1 497.644 3.153 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001305505055 1068740922 /nfs/dbraw/zinc/74/09/22/1068740922.db2.gz WXKHDQBSRFRLCD-OAQYLSRUSA-N 1 1 460.667 3.133 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305505596 1068741302 /nfs/dbraw/zinc/74/13/02/1068741302.db2.gz JLJXOPJIPDMPHT-HSALFYBXSA-N 1 1 468.712 3.020 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cnn(-c2ccccc2)c1 ZINC001305506097 1068742569 /nfs/dbraw/zinc/74/25/69/1068742569.db2.gz REBVCPQFCWRWCQ-QFIPXVFZSA-N 1 1 492.672 3.406 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cnn(-c2ccccc2)c1 ZINC001305506097 1068742574 /nfs/dbraw/zinc/74/25/74/1068742574.db2.gz REBVCPQFCWRWCQ-QFIPXVFZSA-N 1 1 492.672 3.406 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@@]1(C)CCCS1 ZINC001305507234 1068743910 /nfs/dbraw/zinc/74/39/10/1068743910.db2.gz YYUXUXBJJMHUMY-AUSIDOKSSA-N 1 1 450.697 3.458 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@@]1(C)CCCS1 ZINC001305507234 1068743919 /nfs/dbraw/zinc/74/39/19/1068743919.db2.gz YYUXUXBJJMHUMY-AUSIDOKSSA-N 1 1 450.697 3.458 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001305509475 1068748577 /nfs/dbraw/zinc/74/85/77/1068748577.db2.gz LXSSGLBGNRYOMI-VQTJNVASSA-N 1 1 488.681 3.398 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(Cc3noc(C)n3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305510227 1068750360 /nfs/dbraw/zinc/75/03/60/1068750360.db2.gz OOJXWIUNGVUSGL-ICSRJNTNSA-N 1 1 458.655 3.316 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1Br ZINC001305515032 1068761921 /nfs/dbraw/zinc/76/19/21/1068761921.db2.gz RJFVVESVDOOEAS-PXNSSMCTSA-N 1 1 489.462 3.345 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305525405 1068778596 /nfs/dbraw/zinc/77/85/96/1068778596.db2.gz WBYMZWPMAURNPY-IFMALSPDSA-N 1 1 467.662 3.482 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305525407 1068778750 /nfs/dbraw/zinc/77/87/50/1068778750.db2.gz WBYMZWPMAURNPY-RBBKRZOGSA-N 1 1 467.662 3.482 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305528496 1068782397 /nfs/dbraw/zinc/78/23/97/1068782397.db2.gz MGPPPSBHXIREAB-FGZHOGPDSA-N 1 1 484.693 3.388 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305532555 1068789995 /nfs/dbraw/zinc/78/99/95/1068789995.db2.gz NSQPTDNXYDWZEQ-VQTJNVASSA-N 1 1 477.723 3.152 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001305533007 1068792098 /nfs/dbraw/zinc/79/20/98/1068792098.db2.gz FAQOCEOSUPXJKL-SONWIMMPSA-N 1 1 495.716 3.303 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001305533399 1068792707 /nfs/dbraw/zinc/79/27/07/1068792707.db2.gz GMVQXRNGPLEMLH-ZLNRFVROSA-N 1 1 487.737 3.293 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305535606 1068796124 /nfs/dbraw/zinc/79/61/24/1068796124.db2.gz LUXPDTMCDAESLS-JOCHJYFZSA-N 1 1 487.737 3.485 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305535990 1068797114 /nfs/dbraw/zinc/79/71/14/1068797114.db2.gz FQIYIPSYPYWABG-YZUZCNPQSA-N 1 1 482.673 3.100 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cnc(C)s3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305538594 1068805031 /nfs/dbraw/zinc/80/50/31/1068805031.db2.gz AEXVVISTYLCMHQ-DENIHFKCSA-N 1 1 475.707 3.236 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305539393 1068807289 /nfs/dbraw/zinc/80/72/89/1068807289.db2.gz RHSPEFYAPSLDAY-FHWLQOOXSA-N 1 1 460.589 3.221 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305540253 1068809484 /nfs/dbraw/zinc/80/94/84/1068809484.db2.gz TZNJBDCXPWOVFC-SFTDATJTSA-N 1 1 486.636 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC(=O)NCc1ccco1 ZINC001305540633 1068810154 /nfs/dbraw/zinc/81/01/54/1068810154.db2.gz LARWPRPLRCSIGU-VQTJNVASSA-N 1 1 450.587 3.412 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001305543104 1068817422 /nfs/dbraw/zinc/81/74/22/1068817422.db2.gz ZNBBZBXSXZTOBI-QGZVFWFLSA-N 1 1 451.662 3.000 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001305543993 1068819282 /nfs/dbraw/zinc/81/92/82/1068819282.db2.gz FDEACQRMIHCIHL-GBESFXJTSA-N 1 1 452.644 3.109 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1nc(C)c(C)s1 ZINC001305544327 1068819891 /nfs/dbraw/zinc/81/98/91/1068819891.db2.gz OSSPCRJUFWNYLZ-SIKLNZKXSA-N 1 1 489.734 3.339 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CCc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305544558 1068820562 /nfs/dbraw/zinc/82/05/62/1068820562.db2.gz QULKCPNLQFKDNK-QFIPXVFZSA-N 1 1 454.663 3.003 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546021 1068824529 /nfs/dbraw/zinc/82/45/29/1068824529.db2.gz QEPWAFZSTMUSPV-PKTZIBPZSA-N 1 1 476.710 3.231 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001305547364 1068827102 /nfs/dbraw/zinc/82/71/02/1068827102.db2.gz YRFCOISJUVUFGX-LJQANCHMSA-N 1 1 454.619 3.347 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001305551048 1068829767 /nfs/dbraw/zinc/82/97/67/1068829767.db2.gz KQIGTXOURQUHNS-AEFFLSMTSA-N 1 1 453.509 3.454 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001305551048 1068829781 /nfs/dbraw/zinc/82/97/81/1068829781.db2.gz KQIGTXOURQUHNS-AEFFLSMTSA-N 1 1 453.509 3.454 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305552282 1068830821 /nfs/dbraw/zinc/83/08/21/1068830821.db2.gz CFTSZQJCPKDGSX-AWRGLXIESA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001305551986 1068831189 /nfs/dbraw/zinc/83/11/89/1068831189.db2.gz IBBFEEPIMFONLQ-FYYLOGMGSA-N 1 1 455.651 3.260 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001305553670 1068832342 /nfs/dbraw/zinc/83/23/42/1068832342.db2.gz ROYPWYFTTAKMEJ-GBESFXJTSA-N 1 1 458.573 3.119 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001305555289 1068832863 /nfs/dbraw/zinc/83/28/63/1068832863.db2.gz XWKDKYIHLCOBNV-IAGOWNOFSA-N 1 1 468.572 3.053 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305573960 1068847191 /nfs/dbraw/zinc/84/71/91/1068847191.db2.gz UAGAHXXHBGORQO-XFAGBWLFSA-N 1 1 462.639 3.006 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305579826 1068851347 /nfs/dbraw/zinc/85/13/47/1068851347.db2.gz WTWADAHHHQKUIC-GBESFXJTSA-N 1 1 457.623 3.296 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305579826 1068851367 /nfs/dbraw/zinc/85/13/67/1068851367.db2.gz WTWADAHHHQKUIC-GBESFXJTSA-N 1 1 457.623 3.296 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001305581408 1068852371 /nfs/dbraw/zinc/85/23/71/1068852371.db2.gz XQLCVUWWCBISSP-OALUTQOASA-N 1 1 476.691 3.208 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001305602172 1068865063 /nfs/dbraw/zinc/86/50/63/1068865063.db2.gz APQJHEBMZOODDM-ZDUSSCGKSA-N 1 1 472.478 3.468 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001305602565 1068866076 /nfs/dbraw/zinc/86/60/76/1068866076.db2.gz CMJGQOWKXJKJOJ-SJORKVTESA-N 1 1 476.638 3.024 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001305603831 1068868503 /nfs/dbraw/zinc/86/85/03/1068868503.db2.gz DIEVQZUEJPWXOO-NQIIRXRSSA-N 1 1 469.663 3.229 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccsc2)CC1 ZINC001305604555 1068870007 /nfs/dbraw/zinc/87/00/07/1068870007.db2.gz NPJIKSXHAVZEKX-IAGOWNOFSA-N 1 1 468.693 3.064 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001305604373 1068870204 /nfs/dbraw/zinc/87/02/04/1068870204.db2.gz BJZRHIFPNDONEG-IBGZPJMESA-N 1 1 475.659 3.086 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001305604862 1068870960 /nfs/dbraw/zinc/87/09/60/1068870960.db2.gz CDPSFDYQRRPIBQ-NMLBUPMWSA-N 1 1 472.609 3.250 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001305605617 1068872184 /nfs/dbraw/zinc/87/21/84/1068872184.db2.gz IYFFOVFRTWNQPX-HXUWFJFHSA-N 1 1 476.691 3.234 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001305605863 1068872737 /nfs/dbraw/zinc/87/27/37/1068872737.db2.gz RHPPWPCUBNBSCS-ZWOKBUDYSA-N 1 1 466.627 3.099 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCOCC2)C1 ZINC001305606153 1068872788 /nfs/dbraw/zinc/87/27/88/1068872788.db2.gz LFQUURYVQQVGKR-LJQANCHMSA-N 1 1 473.618 3.078 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001305605858 1068873158 /nfs/dbraw/zinc/87/31/58/1068873158.db2.gz RHPPWPCUBNBSCS-QKLQHJQFSA-N 1 1 466.627 3.099 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001305606809 1068874427 /nfs/dbraw/zinc/87/44/27/1068874427.db2.gz VXKNMWWUUJTNOY-IRLDBZIGSA-N 1 1 479.633 3.311 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(F)(F)F ZINC001305606602 1068874674 /nfs/dbraw/zinc/87/46/74/1068874674.db2.gz NAMIBNFXEWWZER-OAHLLOKOSA-N 1 1 451.501 3.040 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC001305607013 1068875347 /nfs/dbraw/zinc/87/53/47/1068875347.db2.gz OUQUTURTQKMQHF-KJXWVISYSA-N 1 1 495.716 3.492 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001305607453 1068876018 /nfs/dbraw/zinc/87/60/18/1068876018.db2.gz PQCACWYSVLVLTK-LJQANCHMSA-N 1 1 499.685 3.132 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)NC(C)C ZINC001305608221 1068878053 /nfs/dbraw/zinc/87/80/53/1068878053.db2.gz PEXUFXKCFDAVSZ-MRXNPFEDSA-N 1 1 465.440 3.399 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305608056 1068878197 /nfs/dbraw/zinc/87/81/97/1068878197.db2.gz RXBJKPHPYAVGMD-DLBZAZTESA-N 1 1 482.551 3.477 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305608125 1068878214 /nfs/dbraw/zinc/87/82/14/1068878214.db2.gz ORNLJBJXQYRIJJ-KGLIPLIRSA-N 1 1 469.453 3.214 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305608283 1068878910 /nfs/dbraw/zinc/87/89/10/1068878910.db2.gz OBHVRYNCLQBIQZ-WBVHZDCISA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001305608734 1068879323 /nfs/dbraw/zinc/87/93/23/1068879323.db2.gz ADXDSKJRQYVGBD-RXVVDRJESA-N 1 1 453.639 3.139 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001305608730 1068879340 /nfs/dbraw/zinc/87/93/40/1068879340.db2.gz ADXDSKJRQYVGBD-GHTZIAJQSA-N 1 1 453.639 3.139 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ncc(Cl)n1C ZINC001305608450 1068879403 /nfs/dbraw/zinc/87/94/03/1068879403.db2.gz UMOQQHCAHNNEDP-HNNXBMFYSA-N 1 1 459.982 3.427 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001305608752 1068879659 /nfs/dbraw/zinc/87/96/59/1068879659.db2.gz QOQRTCASSFKCGG-QYWGDWMGSA-N 1 1 481.439 3.150 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305608946 1068880365 /nfs/dbraw/zinc/88/03/65/1068880365.db2.gz STWHXMUQARXVIX-MAUKXSAKSA-N 1 1 463.424 3.153 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001305609445 1068881793 /nfs/dbraw/zinc/88/17/93/1068881793.db2.gz DGUHXSCYPVWDCK-HBFSDRIKSA-N 1 1 457.623 3.420 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001305609452 1068882086 /nfs/dbraw/zinc/88/20/86/1068882086.db2.gz DHMSLXKVSQMDOK-RTWAWAEBSA-N 1 1 467.662 3.324 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001305609452 1068882097 /nfs/dbraw/zinc/88/20/97/1068882097.db2.gz DHMSLXKVSQMDOK-RTWAWAEBSA-N 1 1 467.662 3.324 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305609644 1068882711 /nfs/dbraw/zinc/88/27/11/1068882711.db2.gz WQGQUQJUDKZGRI-YJBOKZPZSA-N 1 1 493.450 3.161 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001305609944 1068883279 /nfs/dbraw/zinc/88/32/79/1068883279.db2.gz XGPKAIDPCQCGDE-GHTZIAJQSA-N 1 1 475.037 3.156 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001305610109 1068884166 /nfs/dbraw/zinc/88/41/66/1068884166.db2.gz YCVSBXWZUNFAIU-INIZCTEOSA-N 1 1 458.636 3.453 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305610417 1068884754 /nfs/dbraw/zinc/88/47/54/1068884754.db2.gz WCIXRWJTGRPWAA-SESVDKBCSA-N 1 1 456.635 3.432 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001305611957 1068886840 /nfs/dbraw/zinc/88/68/40/1068886840.db2.gz AQJAIPQQKLNNDU-NHCUHLMSSA-N 1 1 455.651 3.367 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001305611948 1068886959 /nfs/dbraw/zinc/88/69/59/1068886959.db2.gz AOJSFDWXMOLURK-KRWDZBQOSA-N 1 1 473.572 3.175 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001305612247 1068887416 /nfs/dbraw/zinc/88/74/16/1068887416.db2.gz QILJLNYNJRMGRG-HXUWFJFHSA-N 1 1 455.651 3.243 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001305613064 1068888334 /nfs/dbraw/zinc/88/83/34/1068888334.db2.gz UJHHZXFMCGKODT-RXVVDRJESA-N 1 1 451.623 3.195 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001305613093 1068888469 /nfs/dbraw/zinc/88/84/69/1068888469.db2.gz DLLSXTALUFYGCM-PWIZWCRZSA-N 1 1 461.010 3.191 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001305613431 1068888811 /nfs/dbraw/zinc/88/88/11/1068888811.db2.gz ILVXTSGSXRYBAX-QUCCMNQESA-N 1 1 468.606 3.463 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001305614536 1068891224 /nfs/dbraw/zinc/89/12/24/1068891224.db2.gz OWZMEHSRSRCHTG-MOPGFXCFSA-N 1 1 454.598 3.263 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001305614914 1068892162 /nfs/dbraw/zinc/89/21/62/1068892162.db2.gz MYNRWEDRZJGUCI-HYVJGQCMSA-N 1 1 472.609 3.049 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1 ZINC001305615969 1068894262 /nfs/dbraw/zinc/89/42/62/1068894262.db2.gz SGXPXMHNPNFSBM-CTNGQTDRSA-N 1 1 488.681 3.493 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001305615938 1068894383 /nfs/dbraw/zinc/89/43/83/1068894383.db2.gz RXIFWWPBNYEHKF-NVXWUHKLSA-N 1 1 482.555 3.016 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001305615829 1068894412 /nfs/dbraw/zinc/89/44/12/1068894412.db2.gz XPLHAHRQYXJTIS-LJQANCHMSA-N 1 1 454.619 3.133 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 ZINC001305616179 1068895073 /nfs/dbraw/zinc/89/50/73/1068895073.db2.gz SXTHIKIKCOOHMV-LEWJYISDSA-N 1 1 488.652 3.372 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001305616226 1068895757 /nfs/dbraw/zinc/89/57/57/1068895757.db2.gz UNWDKBAREBUKIQ-IEBWSBKVSA-N 1 1 462.668 3.127 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001305616840 1068896472 /nfs/dbraw/zinc/89/64/72/1068896472.db2.gz IQOVDNNWVWINRN-RBBKRZOGSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305616998 1068897285 /nfs/dbraw/zinc/89/72/85/1068897285.db2.gz FTOWUBXZBMOWRQ-OALUTQOASA-N 1 1 492.594 3.320 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001305617012 1068897407 /nfs/dbraw/zinc/89/74/07/1068897407.db2.gz FVABLUNADDTNPH-FPOVZHCZSA-N 1 1 453.635 3.498 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001305617543 1068898727 /nfs/dbraw/zinc/89/87/27/1068898727.db2.gz HQYGJCOASLCCFU-NRFANRHFSA-N 1 1 467.662 3.223 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001305617728 1068898917 /nfs/dbraw/zinc/89/89/17/1068898917.db2.gz CEGZRNZAXYOMKC-TZIWHRDSSA-N 1 1 484.624 3.452 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001305617866 1068900283 /nfs/dbraw/zinc/90/02/83/1068900283.db2.gz AUXPBRNBUUHJJV-MOPGFXCFSA-N 1 1 455.582 3.454 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001305617850 1068900394 /nfs/dbraw/zinc/90/03/94/1068900394.db2.gz JOUHLKINSYMXJI-LADGPHEKSA-N 1 1 481.689 3.490 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001305618125 1068901354 /nfs/dbraw/zinc/90/13/54/1068901354.db2.gz KBGYILFKKNRVDK-NRFANRHFSA-N 1 1 471.650 3.299 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001305618795 1068902137 /nfs/dbraw/zinc/90/21/37/1068902137.db2.gz DUPTTXLMPIFVRS-AQNXPRMDSA-N 1 1 492.665 3.470 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001305620487 1068904717 /nfs/dbraw/zinc/90/47/17/1068904717.db2.gz LKVHDWKIRWIQPE-BKSPAHHJSA-N 1 1 457.619 3.280 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC ZINC001305620908 1068906416 /nfs/dbraw/zinc/90/64/16/1068906416.db2.gz XSBFMKUASVHGTI-MJGOQNOKSA-N 1 1 465.689 3.269 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](COC)C1 ZINC001305621818 1068908882 /nfs/dbraw/zinc/90/88/82/1068908882.db2.gz WYXBYKPKMUJRCN-NHCUHLMSSA-N 1 1 453.635 3.500 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001305621856 1068908983 /nfs/dbraw/zinc/90/89/83/1068908983.db2.gz XLSJMKSFCNJAHV-GOSISDBHSA-N 1 1 452.607 3.244 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001305621847 1068909108 /nfs/dbraw/zinc/90/91/08/1068909108.db2.gz XILKWCKHAZRYQN-HXUWFJFHSA-N 1 1 479.604 3.096 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001305622067 1068909446 /nfs/dbraw/zinc/90/94/46/1068909446.db2.gz YHLUFEVCNRCRAF-SFHVURJKSA-N 1 1 454.648 3.086 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001305621882 1068909567 /nfs/dbraw/zinc/90/95/67/1068909567.db2.gz XNDKKINCFOIAIH-TZIWHRDSSA-N 1 1 471.650 3.488 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001305622102 1068909684 /nfs/dbraw/zinc/90/96/84/1068909684.db2.gz OEJFDGYODJIOSD-UZUQRXQVSA-N 1 1 463.026 3.203 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001305622136 1068909752 /nfs/dbraw/zinc/90/97/52/1068909752.db2.gz YQIZAYQTYCZZJE-ICSRJNTNSA-N 1 1 468.606 3.079 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001305623452 1068914276 /nfs/dbraw/zinc/91/42/76/1068914276.db2.gz UMZPLROMIBIJSI-OAQYLSRUSA-N 1 1 496.635 3.460 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001305623737 1068915599 /nfs/dbraw/zinc/91/55/99/1068915599.db2.gz ZYVHILIYVOOJRT-QFIPXVFZSA-N 1 1 497.688 3.140 20 0 JGADMO CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC001305623812 1068915866 /nfs/dbraw/zinc/91/58/66/1068915866.db2.gz NJRUIDGCHNJMRJ-SFTDATJTSA-N 1 1 491.640 3.074 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001305625224 1068919279 /nfs/dbraw/zinc/91/92/79/1068919279.db2.gz WSJPYEQQUCTZPE-GPXNEJASSA-N 1 1 470.662 3.367 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001305629752 1068932953 /nfs/dbraw/zinc/93/29/53/1068932953.db2.gz NPIWUKBXUGDKMM-QGZVFWFLSA-N 1 1 494.482 3.271 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001305635022 1068943909 /nfs/dbraw/zinc/94/39/09/1068943909.db2.gz QBLVVNXGXVSDBX-LJQANCHMSA-N 1 1 465.577 3.106 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001305635020 1068944012 /nfs/dbraw/zinc/94/40/12/1068944012.db2.gz QBLVVNXGXVSDBX-IBGZPJMESA-N 1 1 465.577 3.106 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001305635351 1068945151 /nfs/dbraw/zinc/94/51/51/1068945151.db2.gz QIGFWYXUGWILOP-IFMALSPDSA-N 1 1 461.614 3.356 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001305639932 1068954861 /nfs/dbraw/zinc/95/48/61/1068954861.db2.gz CDERLLCSHVSKCN-LEWJYISDSA-N 1 1 456.635 3.309 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001305639938 1068954925 /nfs/dbraw/zinc/95/49/25/1068954925.db2.gz CDERLLCSHVSKCN-RTWAWAEBSA-N 1 1 456.635 3.309 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001305643592 1068966148 /nfs/dbraw/zinc/96/61/48/1068966148.db2.gz NISAWCMZZGSQRM-IFMALSPDSA-N 1 1 468.646 3.051 20 0 JGADMO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001305655218 1068993735 /nfs/dbraw/zinc/99/37/35/1068993735.db2.gz RMBUPOKDUCQJAW-SKBVVQJISA-N 1 1 496.700 3.481 20 0 JGADMO CC[C@@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001305658200 1068996835 /nfs/dbraw/zinc/99/68/35/1068996835.db2.gz WKVWSSYEAQZAQK-XMMPIXPASA-N 1 1 482.673 3.380 20 0 JGADMO CC[C@H](c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC001305662336 1069003069 /nfs/dbraw/zinc/00/30/69/1069003069.db2.gz HMWOGMSMRMZVFP-GOTSBHOMSA-N 1 1 488.702 3.070 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCCCn1cc[nH+]c1C)c1ccccc1 ZINC001305663311 1069003950 /nfs/dbraw/zinc/00/39/50/1069003950.db2.gz AFGCTDLHWOOLNW-FCHUYYIVSA-N 1 1 470.643 3.429 20 0 JGADMO CC[C@H](c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC001305664745 1069007011 /nfs/dbraw/zinc/00/70/11/1069007011.db2.gz DYZVDUXBDACTFV-OFNKIYASSA-N 1 1 488.702 3.070 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305666763 1069009724 /nfs/dbraw/zinc/00/97/24/1069009724.db2.gz UXKLVZMXTFZHNW-BKMJKUGQSA-N 1 1 468.646 3.036 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001305667249 1069010287 /nfs/dbraw/zinc/01/02/87/1069010287.db2.gz WTMKYYXEHOYLNC-JYFHCDHNSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305669253 1069014091 /nfs/dbraw/zinc/01/40/91/1069014091.db2.gz DBZZYLGGRZESEZ-VWNXMTODSA-N 1 1 482.673 3.283 20 0 JGADMO CC[C@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305669253 1069014105 /nfs/dbraw/zinc/01/41/05/1069014105.db2.gz DBZZYLGGRZESEZ-VWNXMTODSA-N 1 1 482.673 3.283 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001305669384 1069014435 /nfs/dbraw/zinc/01/44/35/1069014435.db2.gz DKFNSDFFCAKENB-YWEHKCAJSA-N 1 1 496.700 3.362 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001305669384 1069014449 /nfs/dbraw/zinc/01/44/49/1069014449.db2.gz DKFNSDFFCAKENB-YWEHKCAJSA-N 1 1 496.700 3.362 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[C@@H](OC)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001305676582 1069030381 /nfs/dbraw/zinc/03/03/81/1069030381.db2.gz SSBQUNMAERYLAB-QPTUXGOLSA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@@H](c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCCNC(C)=O)c1ccccc1 ZINC001305676599 1069030587 /nfs/dbraw/zinc/03/05/87/1069030587.db2.gz HJBXNLNRWXCCKB-XMMPIXPASA-N 1 1 492.672 3.019 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1cnn(C)c1)c1ccccc1 ZINC001305677222 1069032388 /nfs/dbraw/zinc/03/23/88/1069032388.db2.gz MHHWJGBVDSFLED-GOTSBHOMSA-N 1 1 451.619 3.149 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305686357 1069047798 /nfs/dbraw/zinc/04/77/98/1069047798.db2.gz FNIQLLFITRGHIJ-IBGZPJMESA-N 1 1 478.435 3.434 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305686357 1069047817 /nfs/dbraw/zinc/04/78/17/1069047817.db2.gz FNIQLLFITRGHIJ-IBGZPJMESA-N 1 1 478.435 3.434 20 0 JGADMO CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001305692636 1069061262 /nfs/dbraw/zinc/06/12/62/1069061262.db2.gz IPQURZFGIWDSTR-UGKGYDQZSA-N 1 1 460.667 3.130 20 0 JGADMO CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305694289 1069065589 /nfs/dbraw/zinc/06/55/89/1069065589.db2.gz CKXHNVYSUCLJGG-JOCHJYFZSA-N 1 1 473.666 3.397 20 0 JGADMO CCC(CC)(Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)OC ZINC001305695921 1069069392 /nfs/dbraw/zinc/06/93/92/1069069392.db2.gz MRNPGVXIBFIKAN-DENIHFKCSA-N 1 1 473.618 3.153 20 0 JGADMO CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305701172 1069081441 /nfs/dbraw/zinc/08/14/41/1069081441.db2.gz YXFPOMMQICXNQO-NRFANRHFSA-N 1 1 457.619 3.200 20 0 JGADMO CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305701172 1069081448 /nfs/dbraw/zinc/08/14/48/1069081448.db2.gz YXFPOMMQICXNQO-NRFANRHFSA-N 1 1 457.619 3.200 20 0 JGADMO CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001305702466 1069084724 /nfs/dbraw/zinc/08/47/24/1069084724.db2.gz MOYAGOVITAGBJZ-IEXUWNMDSA-N 1 1 474.694 3.376 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC001305703996 1069088876 /nfs/dbraw/zinc/08/88/76/1069088876.db2.gz DBFGINMJZRDBAN-QHCPKHFHSA-N 1 1 468.646 3.116 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccco2)C1)[NH+]1CCOCC1 ZINC001305705573 1069094224 /nfs/dbraw/zinc/09/42/24/1069094224.db2.gz LAWUNNODBAZACG-NHCUHLMSSA-N 1 1 472.634 3.140 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001305707757 1069099622 /nfs/dbraw/zinc/09/96/22/1069099622.db2.gz TWYMKKFRFOKAMX-OAQYLSRUSA-N 1 1 469.634 3.443 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001305708104 1069099919 /nfs/dbraw/zinc/09/99/19/1069099919.db2.gz UXXUNCFWNZCCDO-RZUBCFFCSA-N 1 1 460.667 3.133 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001305720582 1069129203 /nfs/dbraw/zinc/12/92/03/1069129203.db2.gz BPQZNKYPOFCPFW-PMACEKPBSA-N 1 1 458.607 3.242 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305720775 1069129804 /nfs/dbraw/zinc/12/98/04/1069129804.db2.gz RWSYHCPEVOHQNZ-CTNGQTDRSA-N 1 1 461.699 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)on2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305727653 1069146501 /nfs/dbraw/zinc/14/65/01/1069146501.db2.gz QODVSVNEOVITJB-QZTJIDSGSA-N 1 1 475.638 3.017 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001305727999 1069147238 /nfs/dbraw/zinc/14/72/38/1069147238.db2.gz CEYJKORWZFRZBP-DENIHFKCSA-N 1 1 460.667 3.466 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1C[C@@H]1C ZINC001305730132 1069150626 /nfs/dbraw/zinc/15/06/26/1069150626.db2.gz DQVKUIUXJHIUQX-ZVVDCOBXSA-N 1 1 470.666 3.105 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1C[C@H]1C ZINC001305730131 1069150746 /nfs/dbraw/zinc/15/07/46/1069150746.db2.gz DQVKUIUXJHIUQX-VQQMMKBISA-N 1 1 470.666 3.105 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305730656 1069151107 /nfs/dbraw/zinc/15/11/07/1069151107.db2.gz JMQZYJSNGLHZBY-QGZVFWFLSA-N 1 1 455.632 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001305737046 1069159723 /nfs/dbraw/zinc/15/97/23/1069159723.db2.gz DDIQPBBOHQDJQT-HXUWFJFHSA-N 1 1 490.693 3.235 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccccc1-n1cccn1 ZINC001305737204 1069160373 /nfs/dbraw/zinc/16/03/73/1069160373.db2.gz GLOSIGKPNZSMEI-WOJBJXKFSA-N 1 1 478.645 3.349 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CC1(C)CCCC1 ZINC001305737787 1069161707 /nfs/dbraw/zinc/16/17/07/1069161707.db2.gz AZZBDWPDGOAPOB-FPOVZHCZSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738105 1069162942 /nfs/dbraw/zinc/16/29/42/1069162942.db2.gz LCUCGOKOTLYKNV-ZWKOTPCHSA-N 1 1 466.634 3.234 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738892 1069164948 /nfs/dbraw/zinc/16/49/48/1069164948.db2.gz MZTXHEPBARCRHH-ZWKOTPCHSA-N 1 1 496.660 3.059 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@H](C)Oc1ccccc1OC ZINC001305739838 1069168685 /nfs/dbraw/zinc/16/86/85/1069168685.db2.gz LRRRREHKSIWPGN-SBHAEUEKSA-N 1 1 484.645 3.346 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC=C(C)CC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001305740425 1069169455 /nfs/dbraw/zinc/16/94/55/1069169455.db2.gz NDHDAOSCSDMJKE-UHFFFAOYSA-N 1 1 458.651 3.388 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CCn1cc[nH+]c1C ZINC001305741294 1069172888 /nfs/dbraw/zinc/17/28/88/1069172888.db2.gz OYEJHLFNEJBUQT-UHFFFAOYSA-N 1 1 498.676 3.067 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741422 1069173654 /nfs/dbraw/zinc/17/36/54/1069173654.db2.gz SBPSYEDJJULVHQ-ROUUACIJSA-N 1 1 469.634 3.122 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCCc1cccc(C)n1 ZINC001305742487 1069176754 /nfs/dbraw/zinc/17/67/54/1069176754.db2.gz WPXCUYKCWFKBLZ-UGKGYDQZSA-N 1 1 453.635 3.206 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@@H]2CC)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305742482 1069176765 /nfs/dbraw/zinc/17/67/65/1069176765.db2.gz PQWDQIUWINAADV-NRFANRHFSA-N 1 1 473.710 3.382 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCn1nc(C)cc1C ZINC001305743750 1069181234 /nfs/dbraw/zinc/18/12/34/1069181234.db2.gz YLXOSLXHHITVDJ-PMACEKPBSA-N 1 1 458.655 3.019 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305744738 1069184461 /nfs/dbraw/zinc/18/44/61/1069184461.db2.gz XSJAJFJPKMHUPT-KCZVDYSFSA-N 1 1 474.694 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCc1ccccc1 ZINC001305749635 1069194430 /nfs/dbraw/zinc/19/44/30/1069194430.db2.gz VHFJDGXKAYDBAD-SANMLTNESA-N 1 1 468.646 3.130 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1CCOC1 ZINC001305751623 1069198093 /nfs/dbraw/zinc/19/80/93/1069198093.db2.gz XRXPEPYRRIPWEQ-IFMALSPDSA-N 1 1 468.646 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305753216 1069201937 /nfs/dbraw/zinc/20/19/37/1069201937.db2.gz UIVVVYQQTBMQBQ-PCCBWWKXSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001305753212 1069202188 /nfs/dbraw/zinc/20/21/88/1069202188.db2.gz UIVVVYQQTBMQBQ-ACRUOGEOSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(F)(F)c1ccccc1 ZINC001305755654 1069208043 /nfs/dbraw/zinc/20/80/43/1069208043.db2.gz OGQLFTZRDOKSFR-LJQANCHMSA-N 1 1 490.599 3.147 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](COC)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305756700 1069211309 /nfs/dbraw/zinc/21/13/09/1069211309.db2.gz XYGRYBWDMOSSOM-LJQANCHMSA-N 1 1 483.592 3.351 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1cccs1 ZINC001305757094 1069212875 /nfs/dbraw/zinc/21/28/75/1069212875.db2.gz RJUXCHLNJAUJBL-UHFFFAOYSA-N 1 1 487.718 3.301 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305757148 1069213298 /nfs/dbraw/zinc/21/32/98/1069213298.db2.gz TUIHDMGPVJTIKJ-UHFFFAOYSA-N 1 1 489.709 3.060 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305757843 1069215359 /nfs/dbraw/zinc/21/53/59/1069215359.db2.gz DGCPHYKSTCIWMV-AMGIVPHBSA-N 1 1 494.640 3.499 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001305758474 1069217350 /nfs/dbraw/zinc/21/73/50/1069217350.db2.gz FYYIWJQNZRBRHH-LJQANCHMSA-N 1 1 498.672 3.303 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001305760146 1069223398 /nfs/dbraw/zinc/22/33/98/1069223398.db2.gz UIFBTIVRIQEKBJ-HXUWFJFHSA-N 1 1 496.704 3.341 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305765668 1069236680 /nfs/dbraw/zinc/23/66/80/1069236680.db2.gz WPUSLVIKGCGAJQ-FYYLOGMGSA-N 1 1 496.656 3.251 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305765856 1069236853 /nfs/dbraw/zinc/23/68/53/1069236853.db2.gz YOSZBLWTMDAPLD-RBBKRZOGSA-N 1 1 462.683 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305765857 1069236894 /nfs/dbraw/zinc/23/68/94/1069236894.db2.gz YOSZBLWTMDAPLD-UNMCSNQZSA-N 1 1 462.683 3.426 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305767858 1069239526 /nfs/dbraw/zinc/23/95/26/1069239526.db2.gz JAYUSTFCXLIOLF-QUCCMNQESA-N 1 1 486.665 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001305767874 1069239569 /nfs/dbraw/zinc/23/95/69/1069239569.db2.gz SLZJXNREDOIMEH-HOYKHHGWSA-N 1 1 457.623 3.366 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCn1c2ccccc2[nH]c1=O ZINC001305772125 1069250127 /nfs/dbraw/zinc/25/01/27/1069250127.db2.gz FHLLQKDBSGQPKZ-UHFFFAOYSA-N 1 1 496.660 3.263 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001305775655 1069258266 /nfs/dbraw/zinc/25/82/66/1069258266.db2.gz CAWJEIHUFZHIFJ-UHFFFAOYSA-N 1 1 470.662 3.393 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)C(C)C ZINC001305777313 1069262549 /nfs/dbraw/zinc/26/25/49/1069262549.db2.gz FYCYKFNVOWKSJX-FQEVSTJZSA-N 1 1 462.683 3.427 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(CC)CCC1 ZINC001305777621 1069263699 /nfs/dbraw/zinc/26/36/99/1069263699.db2.gz MZVVZPSNAFMRLB-FQEVSTJZSA-N 1 1 460.667 3.325 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305785290 1069285068 /nfs/dbraw/zinc/28/50/68/1069285068.db2.gz CMBBPOHVLIBYTR-GOSISDBHSA-N 1 1 483.652 3.094 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001305785363 1069285151 /nfs/dbraw/zinc/28/51/51/1069285151.db2.gz FDTKKXJWMPDSBZ-MSOLQXFVSA-N 1 1 460.598 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305785291 1069285326 /nfs/dbraw/zinc/28/53/26/1069285326.db2.gz CMBBPOHVLIBYTR-SFHVURJKSA-N 1 1 483.652 3.094 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001305785664 1069286877 /nfs/dbraw/zinc/28/68/77/1069286877.db2.gz JENXQUPHIBSBIR-LJQANCHMSA-N 1 1 483.661 3.492 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001305785663 1069287017 /nfs/dbraw/zinc/28/70/17/1069287017.db2.gz JENXQUPHIBSBIR-IBGZPJMESA-N 1 1 483.661 3.492 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCC1CCOCC1 ZINC001305786123 1069288977 /nfs/dbraw/zinc/28/89/77/1069288977.db2.gz QPSZOTRZVAQWDT-FQEVSTJZSA-N 1 1 490.693 3.093 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC)[C@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305786926 1069292098 /nfs/dbraw/zinc/29/20/98/1069292098.db2.gz ZJSRTTPPIGYLMY-DENIHFKCSA-N 1 1 461.699 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001305787074 1069293094 /nfs/dbraw/zinc/29/30/94/1069293094.db2.gz DVKFFGCFBWGLNR-KOSHJBKYSA-N 1 1 474.675 3.131 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccccc1COC ZINC001305787775 1069294990 /nfs/dbraw/zinc/29/49/90/1069294990.db2.gz FGCZVZNZHLACOX-QFIPXVFZSA-N 1 1 454.619 3.066 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccccc1Cl ZINC001305788228 1069296244 /nfs/dbraw/zinc/29/62/44/1069296244.db2.gz ULTFEOFDGWWPRQ-HXUWFJFHSA-N 1 1 475.037 3.199 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001305788960 1069298777 /nfs/dbraw/zinc/29/87/77/1069298777.db2.gz YMEZJMXPUDYPRC-AZUAARDMSA-N 1 1 478.707 3.029 20 0 JGADMO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1ccccc1S(=O)(=O)Nc1nc3ccccc3nc1Cl)C2 ZINC001164420363 718888356 /nfs/dbraw/zinc/88/83/56/718888356.db2.gz URGBLGFXAMDELH-BUXKBTBVSA-N 1 1 465.913 3.166 20 0 JGADMO Cc1cccc(CN2C(=O)COC3(CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC3)[C@@H]2C)n1 ZINC001164430448 718952262 /nfs/dbraw/zinc/95/22/62/718952262.db2.gz VLSVJYATXOFIDW-NRFANRHFSA-N 1 1 479.625 3.045 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(CSC)nc4sc5c(c43)CCCC5)CC2)C1=O ZINC001164644942 719280484 /nfs/dbraw/zinc/28/04/84/719280484.db2.gz XLCMHOCELSZNJA-UHFFFAOYSA-N 1 1 489.711 3.193 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(CSC)nc4sc5c(c43)CCCC5)CC2)C1=O ZINC001164644942 719280488 /nfs/dbraw/zinc/28/04/88/719280488.db2.gz XLCMHOCELSZNJA-UHFFFAOYSA-N 1 1 489.711 3.193 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccc(C)s4)nc4ccccc43)CC2)C1=O ZINC001164644124 719281056 /nfs/dbraw/zinc/28/10/56/719281056.db2.gz DUFBTDAHRIFWBU-UHFFFAOYSA-N 1 1 465.623 3.426 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccc(C)s4)nc4ccccc43)CC2)C1=O ZINC001164644124 719281063 /nfs/dbraw/zinc/28/10/63/719281063.db2.gz DUFBTDAHRIFWBU-UHFFFAOYSA-N 1 1 465.623 3.426 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)C2)cc1 ZINC001164649450 719292816 /nfs/dbraw/zinc/29/28/16/719292816.db2.gz WRXLAFSTOCYNKB-ZNZIZOMTSA-N 1 1 457.578 3.383 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)C2)cc1 ZINC001164649450 719292818 /nfs/dbraw/zinc/29/28/18/719292818.db2.gz WRXLAFSTOCYNKB-ZNZIZOMTSA-N 1 1 457.578 3.383 20 0 JGADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)CC2 ZINC001164652830 719314518 /nfs/dbraw/zinc/31/45/18/719314518.db2.gz REBURFOKCZKYLM-UHFFFAOYSA-N 1 1 479.610 3.070 20 0 JGADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21 ZINC001164654118 719318958 /nfs/dbraw/zinc/31/89/58/719318958.db2.gz OXGPPFWWSUNZTE-AVPJRLCVSA-N 1 1 487.604 3.350 20 0 JGADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12 ZINC001164654125 719319093 /nfs/dbraw/zinc/31/90/93/719319093.db2.gz OXGPPFWWSUNZTE-RWUBSVTLSA-N 1 1 487.604 3.350 20 0 JGADMO Cc1oncc1C(=O)N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@H]21 ZINC001164655846 719319630 /nfs/dbraw/zinc/31/96/30/719319630.db2.gz ZOKXXDAVWGEIKA-OZOXKJRCSA-N 1 1 459.978 3.041 20 0 JGADMO COc1cc(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)cc(Cl)n1 ZINC001164663946 719356398 /nfs/dbraw/zinc/35/63/98/719356398.db2.gz JRIRVHVRHCYXLL-NRFANRHFSA-N 1 1 482.963 3.268 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cccnc4Cl)C3)C2)cc[nH+]1 ZINC001164663937 719356645 /nfs/dbraw/zinc/35/66/45/719356645.db2.gz JIYYFWUTBKUJIL-HXUWFJFHSA-N 1 1 452.937 3.259 20 0 JGADMO CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001164670355 719444430 /nfs/dbraw/zinc/44/44/30/719444430.db2.gz NWSJXBCGZUJLCZ-IEBWSBKVSA-N 1 1 482.606 3.295 20 0 JGADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)cc-2n1 ZINC001164673878 719505790 /nfs/dbraw/zinc/50/57/90/719505790.db2.gz SVXDWZWKWVOMNB-UHFFFAOYSA-N 1 1 468.529 3.369 20 0 JGADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)cc-2n1 ZINC001164673878 719505800 /nfs/dbraw/zinc/50/58/00/719505800.db2.gz SVXDWZWKWVOMNB-UHFFFAOYSA-N 1 1 468.529 3.369 20 0 JGADMO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164676854 719554122 /nfs/dbraw/zinc/55/41/22/719554122.db2.gz HIRCQXPFBCRGQU-IBGZPJMESA-N 1 1 487.670 3.185 20 0 JGADMO CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c2c1CC[NH2+]C2 ZINC001164679486 719635501 /nfs/dbraw/zinc/63/55/01/719635501.db2.gz CGORLQJEKIMQQA-UHFFFAOYSA-N 1 1 491.621 3.102 20 0 JGADMO CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c2c1CC[NH2+]C2 ZINC001164679486 719635512 /nfs/dbraw/zinc/63/55/12/719635512.db2.gz CGORLQJEKIMQQA-UHFFFAOYSA-N 1 1 491.621 3.102 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)nc1 ZINC001164691434 719800959 /nfs/dbraw/zinc/80/09/59/719800959.db2.gz GRTYETDHDMBRFV-WOJBJXKFSA-N 1 1 491.665 3.440 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5OCCN(c6ncccn6)[C@H]5C3)n2)CCC4)CC1 ZINC001164690910 719801113 /nfs/dbraw/zinc/80/11/13/719801113.db2.gz CLAXKETUDBCTCF-PMACEKPBSA-N 1 1 491.665 3.296 20 0 JGADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2S(=O)(=O)N2CCCC2)CC3)cs1 ZINC001164691145 719810897 /nfs/dbraw/zinc/81/08/97/719810897.db2.gz AAQUVROPHNLKSX-UHFFFAOYSA-N 1 1 461.657 3.266 20 0 JGADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)CC3)cs1 ZINC001164691255 719812819 /nfs/dbraw/zinc/81/28/19/719812819.db2.gz BYDTYHPXYAZXDY-UHFFFAOYSA-N 1 1 492.017 3.327 20 0 JGADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)CC3)cs1 ZINC001164691255 719812820 /nfs/dbraw/zinc/81/28/20/719812820.db2.gz BYDTYHPXYAZXDY-UHFFFAOYSA-N 1 1 492.017 3.327 20 0 JGADMO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164707401 719868804 /nfs/dbraw/zinc/86/88/04/719868804.db2.gz SCVHKWCVSVPSIF-KBMIEXCESA-N 1 1 487.670 3.137 20 0 JGADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc2cc(F)c(OC)cc21 ZINC001164702911 719880617 /nfs/dbraw/zinc/88/06/17/719880617.db2.gz RKJMCHBNSDTVEL-IVZQSRNASA-N 1 1 451.926 3.269 20 0 JGADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc2cc(F)c(OC)cc21 ZINC001164702918 719880722 /nfs/dbraw/zinc/88/07/22/719880722.db2.gz RKJMCHBNSDTVEL-NYHFZMIOSA-N 1 1 451.926 3.269 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@H]4C3)c2c1C ZINC001164704949 719884193 /nfs/dbraw/zinc/88/41/93/719884193.db2.gz XXIBRLMIDHDBDC-CEXWTWQISA-N 1 1 493.637 3.031 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1 ZINC001164700909 719885074 /nfs/dbraw/zinc/88/50/74/719885074.db2.gz MUEAQKBXDYYMNI-YUMYIRISSA-N 1 1 450.587 3.146 20 0 JGADMO NC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164696067 719886788 /nfs/dbraw/zinc/88/67/88/719886788.db2.gz VWURXRVELHQFGD-UHFFFAOYSA-N 1 1 456.946 3.312 20 0 JGADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707072 719898759 /nfs/dbraw/zinc/89/87/59/719898759.db2.gz MZRWVOXZKAJANG-UHFFFAOYSA-N 1 1 454.934 3.436 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1C(=O)OCC ZINC001164707492 719909232 /nfs/dbraw/zinc/90/92/32/719909232.db2.gz ROCICCYULNTVQO-UHFFFAOYSA-N 1 1 473.595 3.368 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164716336 720056101 /nfs/dbraw/zinc/05/61/01/720056101.db2.gz VLFWAOBONXQMBX-QSHYMPABSA-N 1 1 464.614 3.222 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)C2 ZINC001164807366 720079277 /nfs/dbraw/zinc/07/92/77/720079277.db2.gz FCQSXKXLCZRSPJ-RLWLMLJZSA-N 1 1 495.649 3.161 20 0 JGADMO O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164709407 720082458 /nfs/dbraw/zinc/08/24/58/720082458.db2.gz DRQIUCYQPLCTOP-OARDWFSCSA-N 1 1 476.621 3.015 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@@H](OCC(=O)N5CCCC5)CC[C@@H]43)c2c1C ZINC001164714967 720085611 /nfs/dbraw/zinc/08/56/11/720085611.db2.gz XQZWWWZZHCSRRE-SKPFHBQLSA-N 1 1 499.681 3.279 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164709527 720102047 /nfs/dbraw/zinc/10/20/47/720102047.db2.gz ACHMCCOWJZKDKD-OAQYLSRUSA-N 1 1 494.665 3.430 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)C2 ZINC001164813762 720114081 /nfs/dbraw/zinc/11/40/81/720114081.db2.gz QKKQBWHIRJVJCJ-IUKKYPGJSA-N 1 1 461.010 3.364 20 0 JGADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164719652 720114291 /nfs/dbraw/zinc/11/42/91/720114291.db2.gz ZSODPQKPKBPDHW-LJQANCHMSA-N 1 1 474.005 3.138 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nc2N1C1CCCC1 ZINC001164815923 720114997 /nfs/dbraw/zinc/11/49/97/720114997.db2.gz XLUSKBQDMNHWOL-ZIHSNCGMSA-N 1 1 482.673 3.165 20 0 JGADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)nc2N1C1CCCC1 ZINC001164810530 720115284 /nfs/dbraw/zinc/11/52/84/720115284.db2.gz JYUCCUYYVWQEBP-SNOBZRMMSA-N 1 1 468.646 3.141 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164714858 720117542 /nfs/dbraw/zinc/11/75/42/720117542.db2.gz CRTGJEAVGCYZNT-HXUWFJFHSA-N 1 1 452.603 3.364 20 0 JGADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716155 720117798 /nfs/dbraw/zinc/11/77/98/720117798.db2.gz JFLWTHHAOBIFDI-OAQYLSRUSA-N 1 1 465.598 3.433 20 0 JGADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164718601 720118819 /nfs/dbraw/zinc/11/88/19/720118819.db2.gz TUBLOVQNLCFDLR-LJQANCHMSA-N 1 1 474.005 3.138 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ncn3Cc1ccccc1F)C2 ZINC001164816139 720135502 /nfs/dbraw/zinc/13/55/02/720135502.db2.gz XQWJVSFZTSBJRT-NBGIEHNGSA-N 1 1 450.562 3.198 20 0 JGADMO CCOC(=O)c1ncnc(Cl)c1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711249 720137697 /nfs/dbraw/zinc/13/76/97/720137697.db2.gz GKTXIAFRCQOGCU-GOSISDBHSA-N 1 1 459.978 3.209 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164713582 720142705 /nfs/dbraw/zinc/14/27/05/720142705.db2.gz SGLWQWVKNDMMQT-MRXNPFEDSA-N 1 1 477.947 3.405 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 ZINC001164714857 720145506 /nfs/dbraw/zinc/14/55/06/720145506.db2.gz ZWLQNWSIHVXQNX-HXUWFJFHSA-N 1 1 458.006 3.339 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815021 720147880 /nfs/dbraw/zinc/14/78/80/720147880.db2.gz GVTFJWVBAGFRNI-AVRWGWEMSA-N 1 1 458.603 3.038 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 ZINC001164815972 720180592 /nfs/dbraw/zinc/18/05/92/720180592.db2.gz JEFFEAVDJUEBGK-RLWLMLJZSA-N 1 1 450.583 3.490 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1Cl ZINC001164810283 720215412 /nfs/dbraw/zinc/21/54/12/720215412.db2.gz BAUUSGSYVDTHNT-UHFFFAOYSA-N 1 1 468.385 3.372 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CCC2 ZINC001164813494 720216509 /nfs/dbraw/zinc/21/65/09/720216509.db2.gz QCXACQZZAKDPHF-UHFFFAOYSA-N 1 1 483.791 3.187 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164811928 720218985 /nfs/dbraw/zinc/21/89/85/720218985.db2.gz AVAYNZZIEAUNMP-UHFFFAOYSA-N 1 1 482.610 3.189 20 0 JGADMO CCOC(=O)c1cc2c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)[nH]c(C)c(C)c-2n1 ZINC001164814763 720227506 /nfs/dbraw/zinc/22/75/06/720227506.db2.gz YUFZSHQKNOZXKM-UHFFFAOYSA-N 1 1 466.586 3.164 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CCC2 ZINC001164813963 720228230 /nfs/dbraw/zinc/22/82/30/720228230.db2.gz QIHJLZITVYZOAC-UHFFFAOYSA-N 1 1 463.920 3.030 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccccc5)c43)C2)C1 ZINC001164718438 720229965 /nfs/dbraw/zinc/22/99/65/720229965.db2.gz LRYOHDICUYLGQJ-DEOSSOPVSA-N 1 1 451.596 3.023 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccccc5)c43)C2)C1 ZINC001164718438 720229973 /nfs/dbraw/zinc/22/99/73/720229973.db2.gz LRYOHDICUYLGQJ-DEOSSOPVSA-N 1 1 451.596 3.023 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CCC2 ZINC001164813256 720231892 /nfs/dbraw/zinc/23/18/92/720231892.db2.gz MCFUBIQYQVJPQK-UHFFFAOYSA-N 1 1 461.344 3.222 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5ccc(F)cc5)c43)C2)C1 ZINC001164722296 720282581 /nfs/dbraw/zinc/28/25/81/720282581.db2.gz PKKKJVSXVBNBNK-XMMPIXPASA-N 1 1 469.586 3.162 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4scc(-c5ccc(F)cc5)c43)C2)C1 ZINC001164722296 720282599 /nfs/dbraw/zinc/28/25/99/720282599.db2.gz PKKKJVSXVBNBNK-XMMPIXPASA-N 1 1 469.586 3.162 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccc(OC)cc5)c43)C2)C1 ZINC001164723276 720284962 /nfs/dbraw/zinc/28/49/62/720284962.db2.gz VWFAREOOKISMGY-VWLOTQADSA-N 1 1 481.622 3.032 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccc(OC)cc5)c43)C2)C1 ZINC001164723276 720284964 /nfs/dbraw/zinc/28/49/64/720284964.db2.gz VWFAREOOKISMGY-VWLOTQADSA-N 1 1 481.622 3.032 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4scc(-c5cccs5)c43)C2)C1 ZINC001164723755 720288248 /nfs/dbraw/zinc/28/82/48/720288248.db2.gz XYEWLILGOOBJLD-HSZRJFAPSA-N 1 1 471.652 3.393 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4scc(-c5cccs5)c43)C2)C1 ZINC001164723755 720288254 /nfs/dbraw/zinc/28/82/54/720288254.db2.gz XYEWLILGOOBJLD-HSZRJFAPSA-N 1 1 471.652 3.393 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(C)s4)nc4ccccc43)C2)C1 ZINC001164722864 720290910 /nfs/dbraw/zinc/29/09/10/720290910.db2.gz SSCVNWNWVANZBT-RUZDIDTESA-N 1 1 465.623 3.332 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(C)s4)nc4ccccc43)C2)C1 ZINC001164722864 720290927 /nfs/dbraw/zinc/29/09/27/720290927.db2.gz SSCVNWNWVANZBT-RUZDIDTESA-N 1 1 465.623 3.332 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](COCC(=O)N(C)C)CC[C@@H]32)n1 ZINC001164725562 720323101 /nfs/dbraw/zinc/32/31/01/720323101.db2.gz NRGOQNUZSGQJPP-AABGKKOBSA-N 1 1 489.686 3.381 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](COCC(=O)N(C)C)CC[C@@H]43)c2c1C ZINC001164721164 720323128 /nfs/dbraw/zinc/32/31/28/720323128.db2.gz AWXFCAORIRWSFD-AABGKKOBSA-N 1 1 487.670 3.135 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730991 720370755 /nfs/dbraw/zinc/37/07/55/720370755.db2.gz XRCGOHDPIRTUFQ-MSOLQXFVSA-N 1 1 463.916 3.490 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730991 720370759 /nfs/dbraw/zinc/37/07/59/720370759.db2.gz XRCGOHDPIRTUFQ-MSOLQXFVSA-N 1 1 463.916 3.490 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730993 720371411 /nfs/dbraw/zinc/37/14/11/720371411.db2.gz XRCGOHDPIRTUFQ-ROUUACIJSA-N 1 1 463.916 3.490 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730993 720371413 /nfs/dbraw/zinc/37/14/13/720371413.db2.gz XRCGOHDPIRTUFQ-ROUUACIJSA-N 1 1 463.916 3.490 20 0 JGADMO Cc1nc(CN2CCN(C)C3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC3)C2=O)cs1 ZINC001164819943 720372285 /nfs/dbraw/zinc/37/22/85/720372285.db2.gz JRUBBJISUPFQPM-UHFFFAOYSA-N 1 1 489.089 3.409 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2N1C1CCCC1 ZINC001164724282 720381633 /nfs/dbraw/zinc/38/16/33/720381633.db2.gz IYVPLWSURUDBRC-BHIFYINESA-N 1 1 461.614 3.229 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2N1C1CCCC1 ZINC001164724284 720382514 /nfs/dbraw/zinc/38/25/14/720382514.db2.gz IYVPLWSURUDBRC-VSKRKVRLSA-N 1 1 461.614 3.229 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3c(CN(C)C(C)=O)nnc3C2)n1 ZINC001164823711 720414308 /nfs/dbraw/zinc/41/43/08/720414308.db2.gz JILGJPLTLXWOQT-UHFFFAOYSA-N 1 1 470.647 3.130 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164731497 720440301 /nfs/dbraw/zinc/44/03/01/720440301.db2.gz KYEOGKZQKODANC-RTWAWAEBSA-N 1 1 464.639 3.389 20 0 JGADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164727913 720458518 /nfs/dbraw/zinc/45/85/18/720458518.db2.gz FEOYKGICTSTPJU-FGZHOGPDSA-N 1 1 471.533 3.409 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)nc1 ZINC001164834839 720480041 /nfs/dbraw/zinc/48/00/41/720480041.db2.gz VTTHOGJYXBIXSP-UKILVPOCSA-N 1 1 482.673 3.205 20 0 JGADMO O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164726364 720500155 /nfs/dbraw/zinc/50/01/55/720500155.db2.gz LLTNRAGSJNMSQE-IGKIAQTJSA-N 1 1 470.577 3.054 20 0 JGADMO O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164726364 720500164 /nfs/dbraw/zinc/50/01/64/720500164.db2.gz LLTNRAGSJNMSQE-IGKIAQTJSA-N 1 1 470.577 3.054 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836514 720510317 /nfs/dbraw/zinc/51/03/17/720510317.db2.gz MULZJYFVQGFLBQ-XYJFISCASA-N 1 1 482.963 3.426 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164834304 720517828 /nfs/dbraw/zinc/51/78/28/720517828.db2.gz FGSQFVDLVSQVPO-ZJOUEHCJSA-N 1 1 467.643 3.102 20 0 JGADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)C1=O ZINC001164838376 720591200 /nfs/dbraw/zinc/59/12/00/720591200.db2.gz KUDJZUARAAGSAN-ZIFCJYIRSA-N 1 1 458.010 3.069 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840629 720607008 /nfs/dbraw/zinc/60/70/08/720607008.db2.gz QCLNQUMAOQFLCC-QLFBSQMISA-N 1 1 450.925 3.077 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836224 720607908 /nfs/dbraw/zinc/60/79/08/720607908.db2.gz FJQPMVPOMXONFK-FUPPJEDESA-N 1 1 460.582 3.489 20 0 JGADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842520 720645815 /nfs/dbraw/zinc/64/58/15/720645815.db2.gz RVJHBOLQWKAHTL-QLFBSQMISA-N 1 1 453.374 3.144 20 0 JGADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164745687 720650641 /nfs/dbraw/zinc/65/06/41/720650641.db2.gz VEAJYZZMIYZAQN-CHWSQXEVSA-N 1 1 450.852 3.099 20 0 JGADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164745687 720650643 /nfs/dbraw/zinc/65/06/43/720650643.db2.gz VEAJYZZMIYZAQN-CHWSQXEVSA-N 1 1 450.852 3.099 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(Cl)nnc(Cl)c3N3CCOCC3)CC[C@@H]21 ZINC001164837076 720652512 /nfs/dbraw/zinc/65/25/12/720652512.db2.gz BGHNKZAVSLEZBC-BZSNNMDCSA-N 1 1 480.444 3.194 20 0 JGADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738544 720663850 /nfs/dbraw/zinc/66/38/50/720663850.db2.gz KKCJAIPNOGLPEF-MSOLQXFVSA-N 1 1 458.900 3.474 20 0 JGADMO Fc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164736860 720689174 /nfs/dbraw/zinc/68/91/74/720689174.db2.gz BRKDKWRONQQEPN-ZIAGYGMSSA-N 1 1 450.852 3.099 20 0 JGADMO Fc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164736860 720689188 /nfs/dbraw/zinc/68/91/88/720689188.db2.gz BRKDKWRONQQEPN-ZIAGYGMSSA-N 1 1 450.852 3.099 20 0 JGADMO CC(C)NS(=O)(=O)c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164836473 720710991 /nfs/dbraw/zinc/71/09/91/720710991.db2.gz BCYIVEOQQPWRNA-NRFANRHFSA-N 1 1 458.628 3.028 20 0 JGADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740950 720762198 /nfs/dbraw/zinc/76/21/98/720762198.db2.gz LNOZFBQQOOKLCV-MOPGFXCFSA-N 1 1 467.643 3.282 20 0 JGADMO c1cncc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164739335 720765443 /nfs/dbraw/zinc/76/54/43/720765443.db2.gz IHLSNXRTBYWONA-ZWKOTPCHSA-N 1 1 471.590 3.374 20 0 JGADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740349 720767383 /nfs/dbraw/zinc/76/73/83/720767383.db2.gz KEHWNFSKLCENKD-SJORKVTESA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740349 720767389 /nfs/dbraw/zinc/76/73/89/720767389.db2.gz KEHWNFSKLCENKD-SJORKVTESA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739897 720768358 /nfs/dbraw/zinc/76/83/58/720768358.db2.gz JLSOVBXTIFHRQC-ZWKOTPCHSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739896 720769091 /nfs/dbraw/zinc/76/90/91/720769091.db2.gz JLSOVBXTIFHRQC-ROUUACIJSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744215 720783501 /nfs/dbraw/zinc/78/35/01/720783501.db2.gz RPERBOFTPSCWJM-MSOLQXFVSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745441 720791743 /nfs/dbraw/zinc/79/17/43/720791743.db2.gz KJVBXBFWEOXTCI-ZWKOTPCHSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745441 720791764 /nfs/dbraw/zinc/79/17/64/720791764.db2.gz KJVBXBFWEOXTCI-ZWKOTPCHSA-N 1 1 458.900 3.474 20 0 JGADMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164748732 720800030 /nfs/dbraw/zinc/80/00/30/720800030.db2.gz RFBPSQHIYVDWAC-NHCUHLMSSA-N 1 1 450.974 3.470 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164851825 720803373 /nfs/dbraw/zinc/80/33/73/720803373.db2.gz ZWNQNILIGCAEAA-VAMGGRTRSA-N 1 1 481.666 3.286 20 0 JGADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164749272 720803483 /nfs/dbraw/zinc/80/34/83/720803483.db2.gz STXFDCWKEVHVSH-CRAIPNDOSA-N 1 1 454.918 3.063 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)c2c1C ZINC001164848619 720812896 /nfs/dbraw/zinc/81/28/96/720812896.db2.gz DFMJZKUWBDJYHR-WOJBJXKFSA-N 1 1 462.623 3.394 20 0 JGADMO COCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccccc2)n1 ZINC001164744201 720813293 /nfs/dbraw/zinc/81/32/93/720813293.db2.gz HYWJLZPEJDTTCJ-GMKZXUHWSA-N 1 1 459.598 3.261 20 0 JGADMO O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752779 720814082 /nfs/dbraw/zinc/81/40/82/720814082.db2.gz ZVEPHOOPJSPWET-KIFXHHALSA-N 1 1 463.630 3.115 20 0 JGADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743284 720815677 /nfs/dbraw/zinc/81/56/77/720815677.db2.gz RUQZDHFNCUOIEK-NLJOTIRTSA-N 1 1 484.652 3.006 20 0 JGADMO O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164848713 720816503 /nfs/dbraw/zinc/81/65/03/720816503.db2.gz DQRQEIUTXMEVCU-PXDATVDWSA-N 1 1 455.002 3.143 20 0 JGADMO O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1)N1CCCCC1 ZINC001164742176 720817407 /nfs/dbraw/zinc/81/74/07/720817407.db2.gz QBFVOFJEYFNMCY-FDFHNCONSA-N 1 1 484.048 3.332 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@@H]32)n1 ZINC001164847047 720821572 /nfs/dbraw/zinc/82/15/72/720821572.db2.gz HVRBJOFADCAHQP-FHWLQOOXSA-N 1 1 473.643 3.440 20 0 JGADMO Clc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740831 720822031 /nfs/dbraw/zinc/82/20/31/720822031.db2.gz LMDSFBDMCBNSSF-XUVXKRRUSA-N 1 1 450.978 3.163 20 0 JGADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164740144 720827251 /nfs/dbraw/zinc/82/72/51/720827251.db2.gz JDPRMYWUMGLQTD-WSTZPKSXSA-N 1 1 458.994 3.191 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751102 720834116 /nfs/dbraw/zinc/83/41/16/720834116.db2.gz YMTVUADPQXOIQW-RCCFBDPRSA-N 1 1 480.947 3.037 20 0 JGADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164745177 720834275 /nfs/dbraw/zinc/83/42/75/720834275.db2.gz MHXHUQKXOUJFMS-YESZJQIVSA-N 1 1 452.937 3.259 20 0 JGADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164746579 720835959 /nfs/dbraw/zinc/83/59/59/720835959.db2.gz OTNRTKDGKFZMDG-IMFGXOCKSA-N 1 1 484.967 3.427 20 0 JGADMO Cc1nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)c1C ZINC001164750341 720836212 /nfs/dbraw/zinc/83/62/12/720836212.db2.gz XICBXGFQLOGXMQ-OKZBNKHCSA-N 1 1 451.953 3.263 20 0 JGADMO O=C(OCc1ccccc1)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164745181 720851089 /nfs/dbraw/zinc/85/10/89/720851089.db2.gz MJXFFQDXQCLDBA-UBFVSLLYSA-N 1 1 472.593 3.410 20 0 JGADMO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)s1 ZINC001164748115 720854556 /nfs/dbraw/zinc/85/45/56/720854556.db2.gz KCZAAENVNWLTMW-SVFBPWRDSA-N 1 1 450.616 3.188 20 0 JGADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752508 720855515 /nfs/dbraw/zinc/85/55/15/720855515.db2.gz STBVYJYDYXLUAT-KMDXXIMOSA-N 1 1 459.598 3.335 20 0 JGADMO Clc1cc(-c2ccncc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753919 720857832 /nfs/dbraw/zinc/85/78/32/720857832.db2.gz ZDDMXNOUMGPVAW-QKNQBKEWSA-N 1 1 450.978 3.163 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753549 720861665 /nfs/dbraw/zinc/86/16/65/720861665.db2.gz XSEMULMPGMCHED-OWCLPIDISA-N 1 1 495.003 3.342 20 0 JGADMO COC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755300 720870902 /nfs/dbraw/zinc/87/09/02/720870902.db2.gz VWNXOEBPVKCODP-NTKDMRAZSA-N 1 1 471.989 3.067 20 0 JGADMO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C(N)=O ZINC001164755204 720872660 /nfs/dbraw/zinc/87/26/60/720872660.db2.gz UZHXZMDEMOGMKA-CJFMBICVSA-N 1 1 470.017 3.292 20 0 JGADMO CCOC(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752330 720872726 /nfs/dbraw/zinc/87/27/26/720872726.db2.gz MNEKHGFUHODJSO-ATIYNZHBSA-N 1 1 450.583 3.408 20 0 JGADMO COc1cnc(SC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752994 720873186 /nfs/dbraw/zinc/87/31/86/720873186.db2.gz ODFWWHJDRPFOTF-GBXCKJPGSA-N 1 1 455.628 3.357 20 0 JGADMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752904 720873334 /nfs/dbraw/zinc/87/33/34/720873334.db2.gz NJNFMFHJHJWNHS-JYFHCDHNSA-N 1 1 450.583 3.408 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164859346 720876611 /nfs/dbraw/zinc/87/66/11/720876611.db2.gz MTRVIFDWTGYJAK-ICSRJNTNSA-N 1 1 465.623 3.416 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(OC)ccc4n3)CC[C@H]2C1 ZINC001164861186 720878935 /nfs/dbraw/zinc/87/89/35/720878935.db2.gz PFZDFOJTHBSMKN-KSSFIOAISA-N 1 1 456.921 3.010 20 0 JGADMO COC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c1 ZINC001164749015 720881573 /nfs/dbraw/zinc/88/15/73/720881573.db2.gz GCTMZCPXEYLLDP-BVAGGSTKSA-N 1 1 450.583 3.327 20 0 JGADMO Cc1nc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2[nH]1 ZINC001164753840 720882002 /nfs/dbraw/zinc/88/20/02/720882002.db2.gz HHTNKUNAHXESSX-YADARESESA-N 1 1 468.005 3.465 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164753840 720882005 /nfs/dbraw/zinc/88/20/05/720882005.db2.gz HHTNKUNAHXESSX-YADARESESA-N 1 1 468.005 3.465 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164753840 720882007 /nfs/dbraw/zinc/88/20/07/720882007.db2.gz HHTNKUNAHXESSX-YADARESESA-N 1 1 468.005 3.465 20 0 JGADMO COC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1 ZINC001164753441 720884819 /nfs/dbraw/zinc/88/48/19/720884819.db2.gz GVOHRPYOQNMJGI-SQJMNOBHSA-N 1 1 454.546 3.157 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756919 720886440 /nfs/dbraw/zinc/88/64/40/720886440.db2.gz SCYSHRLDUHZLKB-NLFFAJNJSA-N 1 1 486.016 3.457 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)Oc3cccc(COc4cncc(Cl)n4)c3)CC[C@@H]2C1 ZINC001164853309 720888311 /nfs/dbraw/zinc/88/83/11/720888311.db2.gz BRZKPOYDKTUPOZ-UYAOXDASSA-N 1 1 498.958 3.307 20 0 JGADMO O=c1cc2[nH]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(Cl)cc-2[nH]1 ZINC001164756557 720892630 /nfs/dbraw/zinc/89/26/30/720892630.db2.gz QGTSVSBWKOLIPG-KBMIEXCESA-N 1 1 468.001 3.380 20 0 JGADMO O=C(NC1CC1)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753487 720893195 /nfs/dbraw/zinc/89/31/95/720893195.db2.gz HCXIYBCOYLOCIL-HOFKKMOUSA-N 1 1 461.610 3.124 20 0 JGADMO COC(=O)c1cc(C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753408 720896341 /nfs/dbraw/zinc/89/63/41/720896341.db2.gz GTWWHMXZVZCPBT-GJZUVCINSA-N 1 1 450.583 3.327 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(OC)c1 ZINC001164758776 720896802 /nfs/dbraw/zinc/89/68/02/720896802.db2.gz ZDBAZIUGUSUCDK-YIXXDRMTSA-N 1 1 480.609 3.417 20 0 JGADMO Clc1ncnc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc12 ZINC001164753379 720897955 /nfs/dbraw/zinc/89/79/55/720897955.db2.gz GSRQVXSULMXRTQ-CYFREDJKSA-N 1 1 465.989 3.223 20 0 JGADMO Cc1cn(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cn1 ZINC001164752720 720898521 /nfs/dbraw/zinc/89/85/21/720898521.db2.gz FUILBKFZWBNKOS-ZEQKJWHPSA-N 1 1 459.598 3.121 20 0 JGADMO O=C(c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1)N1CCCC1 ZINC001164758853 720898636 /nfs/dbraw/zinc/89/86/36/720898636.db2.gz ZXDACSSTLYXRII-LBNVMWSVSA-N 1 1 475.637 3.468 20 0 JGADMO CCN(CC)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164758455 720898677 /nfs/dbraw/zinc/89/86/77/720898677.db2.gz YEVLXJWSKXMZDP-BVAGGSTKSA-N 1 1 450.631 3.473 20 0 JGADMO Cc1cn(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cn1 ZINC001164752707 720898723 /nfs/dbraw/zinc/89/87/23/720898723.db2.gz FUILBKFZWBNKOS-BVAGGSTKSA-N 1 1 459.598 3.121 20 0 JGADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757793 720900419 /nfs/dbraw/zinc/90/04/19/720900419.db2.gz VPVAJQKPCQWYMA-HOFKKMOUSA-N 1 1 479.625 3.174 20 0 JGADMO COc1cnc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752588 720903254 /nfs/dbraw/zinc/90/32/54/720903254.db2.gz FEDOJRZOQAEYMI-QFQXNSOFSA-N 1 1 460.582 3.184 20 0 JGADMO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749704 720907452 /nfs/dbraw/zinc/90/74/52/720907452.db2.gz IINUOTBVKPKVCQ-YKSBVNFPSA-N 1 1 491.057 3.289 20 0 JGADMO O=c1ccccn1Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164749142 720913800 /nfs/dbraw/zinc/91/38/00/720913800.db2.gz HXDKDDOQNJGZBH-WNJJXGMVSA-N 1 1 485.632 3.442 20 0 JGADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCSCC4)ncn2)C3)c1 ZINC001164753656 720925640 /nfs/dbraw/zinc/92/56/40/720925640.db2.gz RWWKBTAVPIVQMN-BVAGGSTKSA-N 1 1 480.682 3.180 20 0 JGADMO COCCOc1cc2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1OCCOC ZINC001164856144 720937175 /nfs/dbraw/zinc/93/71/75/720937175.db2.gz BFYBVLDZAYDPEB-IBGZPJMESA-N 1 1 498.628 3.298 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)[C@H]2C ZINC001164857630 720947383 /nfs/dbraw/zinc/94/73/83/720947383.db2.gz GSAZHLLBPXJQOQ-SFHVURJKSA-N 1 1 479.610 3.286 20 0 JGADMO CC(=O)Oc1cc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2cc1OC(C)=O ZINC001164859010 720981612 /nfs/dbraw/zinc/98/16/12/720981612.db2.gz KIBFEKXGUNGXMF-OAHLLOKOSA-N 1 1 466.542 3.098 20 0 JGADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001164760856 721020884 /nfs/dbraw/zinc/02/08/84/721020884.db2.gz QASJUJMURVTUNS-FSSWDIPSSA-N 1 1 470.017 3.274 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)nc1 ZINC001164864405 721037376 /nfs/dbraw/zinc/03/73/76/721037376.db2.gz ZHFSHPPMLWBMDD-IGKIAQTJSA-N 1 1 476.625 3.258 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)nc1 ZINC001164864408 721037493 /nfs/dbraw/zinc/03/74/93/721037493.db2.gz ZHFSHPPMLWBMDD-RPLLCQBOSA-N 1 1 476.625 3.258 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnn(C)c2)n1 ZINC001164767655 721037676 /nfs/dbraw/zinc/03/76/76/721037676.db2.gz SGYZYTJXLDUDMN-OALUTQOASA-N 1 1 467.643 3.377 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865727 721077802 /nfs/dbraw/zinc/07/78/02/721077802.db2.gz OVYFJHQIHKWKBT-QZTJIDSGSA-N 1 1 493.942 3.116 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865726 721078134 /nfs/dbraw/zinc/07/81/34/721078134.db2.gz OVYFJHQIHKWKBT-MSOLQXFVSA-N 1 1 493.942 3.116 20 0 JGADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164865577 721090125 /nfs/dbraw/zinc/09/01/25/721090125.db2.gz NDKRPLAKXWUCSU-XZOQPEGZSA-N 1 1 489.624 3.123 20 0 JGADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164879438 721171456 /nfs/dbraw/zinc/17/14/56/721171456.db2.gz SGBYAHRCAGYXGZ-VQTJNVASSA-N 1 1 477.565 3.044 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868417 721198484 /nfs/dbraw/zinc/19/84/84/721198484.db2.gz MRICSYYYBITVMV-LSDHHAIUSA-N 1 1 466.945 3.245 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C[C@H]3C2)cn1 ZINC001164765810 721212203 /nfs/dbraw/zinc/21/22/03/721212203.db2.gz ILZPVFQTXJVSKJ-DLBZAZTESA-N 1 1 459.932 3.429 20 0 JGADMO Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3C2)cn1 ZINC001164765502 721247029 /nfs/dbraw/zinc/24/70/29/721247029.db2.gz RPUNKQYSTRRVQJ-RBUKOAKNSA-N 1 1 462.976 3.348 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C[C@H]3C2)cn1 ZINC001164767276 721248727 /nfs/dbraw/zinc/24/87/27/721248727.db2.gz WONKQJWGMBTNNI-IAGOWNOFSA-N 1 1 450.418 3.466 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C[C@@H]3C2)cn1 ZINC001164761142 721249405 /nfs/dbraw/zinc/24/94/05/721249405.db2.gz HOZHDYVYBHHYHP-KBPBESRZSA-N 1 1 453.950 3.062 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)n1 ZINC001164764630 721265489 /nfs/dbraw/zinc/26/54/89/721265489.db2.gz HRAMAFOFEDRVOJ-UXHICEINSA-N 1 1 473.606 3.304 20 0 JGADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12 ZINC001164872266 721285438 /nfs/dbraw/zinc/28/54/38/721285438.db2.gz BMJYBAMSQCZEHD-UHFFFAOYSA-N 1 1 490.652 3.103 20 0 JGADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164877692 721293017 /nfs/dbraw/zinc/29/30/17/721293017.db2.gz NYMPUHPLXWFPHU-UHFFFAOYSA-N 1 1 474.005 3.238 20 0 JGADMO COc1cc2c(cc(Cl)nc2N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc1F ZINC001164878656 721293898 /nfs/dbraw/zinc/29/38/98/721293898.db2.gz SAFKBCAODIELJA-UHFFFAOYSA-N 1 1 464.969 3.043 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCCN4c3ccc(C)nn3)c2c1C ZINC001164776433 721312747 /nfs/dbraw/zinc/31/27/47/721312747.db2.gz NUKPVSWYKHHOOC-UXHICEINSA-N 1 1 479.654 3.486 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccsc4c(N4CCOCC4)n3)C2)C1 ZINC001164778026 721339122 /nfs/dbraw/zinc/33/91/22/721339122.db2.gz SVECKOKPKKQAMC-RUZDIDTESA-N 1 1 498.653 3.252 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccsc4c(N4CCOCC4)n3)C2)C1 ZINC001164778026 721339124 /nfs/dbraw/zinc/33/91/24/721339124.db2.gz SVECKOKPKKQAMC-RUZDIDTESA-N 1 1 498.653 3.252 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C2)C1 ZINC001164779805 721348573 /nfs/dbraw/zinc/34/85/73/721348573.db2.gz WXNLXTHZBMIKJI-HHHXNRCGSA-N 1 1 490.608 3.086 20 0 JGADMO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cc1OCC ZINC001164779759 721349620 /nfs/dbraw/zinc/34/96/20/721349620.db2.gz VVFNJRIMULIFTG-RUZDIDTESA-N 1 1 472.586 3.381 20 0 JGADMO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cc1OCC ZINC001164779759 721349623 /nfs/dbraw/zinc/34/96/23/721349623.db2.gz VVFNJRIMULIFTG-RUZDIDTESA-N 1 1 472.586 3.381 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC(C)(C)C)cn3)C2)C1 ZINC001164778634 721350836 /nfs/dbraw/zinc/35/08/36/721350836.db2.gz NLVCVFOMSIKSIF-RUZDIDTESA-N 1 1 455.603 3.334 20 0 JGADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164776283 721352610 /nfs/dbraw/zinc/35/26/10/721352610.db2.gz ANOJHLNFIAGGBO-QHCPKHFHSA-N 1 1 477.993 3.092 20 0 JGADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164776283 721352613 /nfs/dbraw/zinc/35/26/13/721352613.db2.gz ANOJHLNFIAGGBO-QHCPKHFHSA-N 1 1 477.993 3.092 20 0 JGADMO COc1nc(-c2ccccc2)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164785086 721356370 /nfs/dbraw/zinc/35/63/70/721356370.db2.gz RWLJRIKPWIVEAE-VWLOTQADSA-N 1 1 464.570 3.271 20 0 JGADMO COc1nc(-c2ccccc2)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164785086 721356375 /nfs/dbraw/zinc/35/63/75/721356375.db2.gz RWLJRIKPWIVEAE-VWLOTQADSA-N 1 1 464.570 3.271 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(-c4cccnc4F)n3)C2)C1 ZINC001164785240 721359749 /nfs/dbraw/zinc/35/97/49/721359749.db2.gz SRPBYKNEKRVDHK-XMMPIXPASA-N 1 1 452.534 3.402 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(-c4cccnc4F)n3)C2)C1 ZINC001164785240 721359754 /nfs/dbraw/zinc/35/97/54/721359754.db2.gz SRPBYKNEKRVDHK-XMMPIXPASA-N 1 1 452.534 3.402 20 0 JGADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780251 721361594 /nfs/dbraw/zinc/36/15/94/721361594.db2.gz DUCIKYLJMSOLNX-CBAPUUEKSA-N 1 1 479.581 3.473 20 0 JGADMO O=C1CO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2N1c1cccc(F)c1 ZINC001164881869 721363572 /nfs/dbraw/zinc/36/35/72/721363572.db2.gz GOFGHZUWPJYVNS-JWQCQUIFSA-N 1 1 458.537 3.400 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3nc(C)n4C)C2)C1 ZINC001164782994 721364070 /nfs/dbraw/zinc/36/40/70/721364070.db2.gz OTDIQHZTUBBHHX-JOCHJYFZSA-N 1 1 459.982 3.049 20 0 JGADMO COC(=O)c1nc(Cl)c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164786929 721375791 /nfs/dbraw/zinc/37/57/91/721375791.db2.gz VHKWORXACMKSCH-OAQYLSRUSA-N 1 1 484.384 3.294 20 0 JGADMO COC(=O)c1nc(Cl)c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164786929 721375793 /nfs/dbraw/zinc/37/57/93/721375793.db2.gz VHKWORXACMKSCH-OAQYLSRUSA-N 1 1 484.384 3.294 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)C2)C1 ZINC001164781289 721376098 /nfs/dbraw/zinc/37/60/98/721376098.db2.gz IWAQSSPQCQEABK-FDDCHVKYSA-N 1 1 477.993 3.022 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)C2)C1 ZINC001164781289 721376101 /nfs/dbraw/zinc/37/61/01/721376101.db2.gz IWAQSSPQCQEABK-FDDCHVKYSA-N 1 1 477.993 3.022 20 0 JGADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164781007 721395069 /nfs/dbraw/zinc/39/50/69/721395069.db2.gz AAYKBRXOAPPPOL-QZTJIDSGSA-N 1 1 480.619 3.001 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C3)O2)CC1 ZINC001164891846 721398452 /nfs/dbraw/zinc/39/84/52/721398452.db2.gz QQDIUZQWDLALFF-QFQXNSOFSA-N 1 1 496.059 3.293 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164889418 721402128 /nfs/dbraw/zinc/40/21/28/721402128.db2.gz QGKNMUHLESPEGH-OSPHWJPCSA-N 1 1 476.021 3.066 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5cc(F)c(F)cc5nc4Cl)C3)O2)CC1 ZINC001164893071 721403858 /nfs/dbraw/zinc/40/38/58/721403858.db2.gz ZYDZATFRXSXHIR-NYHFZMIOSA-N 1 1 451.949 3.327 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164888277 721404096 /nfs/dbraw/zinc/40/40/96/721404096.db2.gz NWCVBXVSLKVLRC-OFVILXPXSA-N 1 1 456.034 3.486 20 0 JGADMO CN(C)C(=O)c1cc2cnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164789533 721410469 /nfs/dbraw/zinc/41/04/69/721410469.db2.gz UYQXXXYVNWRPAA-QZTJIDSGSA-N 1 1 465.627 3.273 20 0 JGADMO CCOc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OCC ZINC001164892578 721411859 /nfs/dbraw/zinc/41/18/59/721411859.db2.gz YWKZEJWMQBEMHB-FQRUVTKNSA-N 1 1 469.630 3.193 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4OCc4ccccc4)C3)O2)CC1 ZINC001164887306 721414400 /nfs/dbraw/zinc/41/44/00/721414400.db2.gz LWONRLMNVDHAKJ-OFVILXPXSA-N 1 1 472.033 3.474 20 0 JGADMO c1csc(C[NH+]2C[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)n1 ZINC001164784778 721426403 /nfs/dbraw/zinc/42/64/03/721426403.db2.gz MDMMXZALVCHRKK-ROUUACIJSA-N 1 1 496.706 3.427 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5nc(C(C)(C)C)no5)ccn4)C3)O2)CC1 ZINC001164899967 721429621 /nfs/dbraw/zinc/42/96/21/721429621.db2.gz ZQGNJDSLQNZYLT-NBGIEHNGSA-N 1 1 454.619 3.195 20 0 JGADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164790153 721431361 /nfs/dbraw/zinc/43/13/61/721431361.db2.gz XDMODHHKCQXAGH-GASCZTMLSA-N 1 1 477.562 3.185 20 0 JGADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164790153 721431362 /nfs/dbraw/zinc/43/13/62/721431362.db2.gz XDMODHHKCQXAGH-GASCZTMLSA-N 1 1 477.562 3.185 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164899253 721433528 /nfs/dbraw/zinc/43/35/28/721433528.db2.gz YCYOPHHXWCCVTG-DFBJGRDBSA-N 1 1 487.670 3.250 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(C(=O)N5CCCCC5)cc4Cl)C3)O2)CC1 ZINC001164889550 721437121 /nfs/dbraw/zinc/43/71/21/721437121.db2.gz BNUUFRZIVBWXNV-PXDATVDWSA-N 1 1 476.065 3.127 20 0 JGADMO CCN(c1ccccc1)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncn1 ZINC001164897863 721443503 /nfs/dbraw/zinc/44/35/03/721443503.db2.gz VBEJJEZJMIBUSA-JYFHCDHNSA-N 1 1 450.631 3.400 20 0 JGADMO CCOC(=O)c1cnc(SC)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164787891 721450207 /nfs/dbraw/zinc/45/02/07/721450207.db2.gz RDSOYKPUWUDMDF-IBGZPJMESA-N 1 1 478.659 3.109 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1C(=O)OC)CC2 ZINC001164789304 721451578 /nfs/dbraw/zinc/45/15/78/721451578.db2.gz UOESIDQAXBXMIF-LJQANCHMSA-N 1 1 451.995 3.256 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164892743 721451819 /nfs/dbraw/zinc/45/18/19/721451819.db2.gz XVJUXHGFFWYUHO-GHTZIAJQSA-N 1 1 487.979 3.137 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)OC)c(Cl)cn1)CC2 ZINC001164790183 721452090 /nfs/dbraw/zinc/45/20/90/721452090.db2.gz XDMPYKBHMVHJSJ-SFHVURJKSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)c(Cl)cn1)CC2 ZINC001164790179 721452107 /nfs/dbraw/zinc/45/21/07/721452107.db2.gz XDMPYKBHMVHJSJ-GOSISDBHSA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164788596 721453780 /nfs/dbraw/zinc/45/37/80/721453780.db2.gz RQPOGPIWIOBRLM-IBGZPJMESA-N 1 1 451.995 3.256 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(OC)c(OC)cc31)CC2 ZINC001164788679 721454037 /nfs/dbraw/zinc/45/40/37/721454037.db2.gz SNBUQDLBKWKQGU-FQEVSTJZSA-N 1 1 470.614 3.381 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(C(=O)OC)c[nH]c3n1)CC2 ZINC001164788723 721455708 /nfs/dbraw/zinc/45/57/08/721455708.db2.gz TUEXUELGQDQOBS-LJQANCHMSA-N 1 1 456.587 3.083 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@@H]43)c2c1C ZINC001164884921 721458564 /nfs/dbraw/zinc/45/85/64/721458564.db2.gz CMVYNIKRKQTUPR-GBESFXJTSA-N 1 1 455.628 3.166 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)n1 ZINC001164886678 721459086 /nfs/dbraw/zinc/45/90/86/721459086.db2.gz IFNUUSXCXKGHHF-QYZOEREBSA-N 1 1 457.644 3.412 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164787741 721460301 /nfs/dbraw/zinc/46/03/01/721460301.db2.gz SBIYRMPJSVWACS-INIZCTEOSA-N 1 1 452.024 3.474 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164785804 721463525 /nfs/dbraw/zinc/46/35/25/721463525.db2.gz NPYGEXXOXHMWLK-JOCHJYFZSA-N 1 1 488.673 3.292 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1/C=C\C(=O)OC)CC2 ZINC001164784662 721464003 /nfs/dbraw/zinc/46/40/03/721464003.db2.gz JHCYRWFJMHMCBX-FUMRIQNTSA-N 1 1 457.615 3.310 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)nc1OC)CC2 ZINC001164786814 721464360 /nfs/dbraw/zinc/46/43/60/721464360.db2.gz PLUZQUBJIHTPAE-KRWDZBQOSA-N 1 1 474.980 3.417 20 0 JGADMO CCOCc1cnc(Cl)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164782800 721464522 /nfs/dbraw/zinc/46/45/22/721464522.db2.gz CIOXFIYQZXCISS-HXUWFJFHSA-N 1 1 453.027 3.400 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)c(C(=O)OC)c1OC)CC2 ZINC001164782659 721464540 /nfs/dbraw/zinc/46/45/40/721464540.db2.gz ARSXICYNRADGML-SFHVURJKSA-N 1 1 482.021 3.264 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)CC2 ZINC001164782758 721464931 /nfs/dbraw/zinc/46/49/31/721464931.db2.gz BLTHWHXFVKJDAU-LJQANCHMSA-N 1 1 492.064 3.228 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 ZINC001164789530 721468096 /nfs/dbraw/zinc/46/80/96/721468096.db2.gz NOZBKZXIRIMRQU-FQEVSTJZSA-N 1 1 465.038 3.171 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164788805 721468388 /nfs/dbraw/zinc/46/83/88/721468388.db2.gz LGRNCWJAYQGJDT-JOCHJYFZSA-N 1 1 455.578 3.412 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164787229 721473499 /nfs/dbraw/zinc/47/34/99/721473499.db2.gz DMRJNRFLYMSINB-VQTJNVASSA-N 1 1 481.037 3.032 20 0 JGADMO O=C(NC1CCC1)[C@H]1COC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164901467 721489067 /nfs/dbraw/zinc/48/90/67/721489067.db2.gz VDAHCNRYILPGOR-OAQYLSRUSA-N 1 1 461.610 3.079 20 0 JGADMO O=C(NC1CCC1)[C@H]1COC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164901467 721489074 /nfs/dbraw/zinc/48/90/74/721489074.db2.gz VDAHCNRYILPGOR-OAQYLSRUSA-N 1 1 461.610 3.079 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164898584 721518547 /nfs/dbraw/zinc/51/85/47/721518547.db2.gz JERNZMWVHGXFFK-IEBWSBKVSA-N 1 1 455.559 3.009 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164794813 721525671 /nfs/dbraw/zinc/52/56/71/721525671.db2.gz IEDGRXXFBGLUSR-CMKODMSKSA-N 1 1 467.595 3.440 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164794813 721525675 /nfs/dbraw/zinc/52/56/75/721525675.db2.gz IEDGRXXFBGLUSR-CMKODMSKSA-N 1 1 467.595 3.440 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164800666 721529436 /nfs/dbraw/zinc/52/94/36/721529436.db2.gz DAUFSHBPVWIEDB-SQNIBIBYSA-N 1 1 481.931 3.115 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164800666 721529439 /nfs/dbraw/zinc/52/94/39/721529439.db2.gz DAUFSHBPVWIEDB-SQNIBIBYSA-N 1 1 481.931 3.115 20 0 JGADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906879 721539798 /nfs/dbraw/zinc/53/97/98/721539798.db2.gz LQJRUKKTOMKRNI-ZFWWWQNUSA-N 1 1 455.317 3.441 20 0 JGADMO Cc1cc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164904117 721542413 /nfs/dbraw/zinc/54/24/13/721542413.db2.gz FGCZQZVYYCWOLU-QUCCMNQESA-N 1 1 469.586 3.317 20 0 JGADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912464 721545819 /nfs/dbraw/zinc/54/58/19/721545819.db2.gz ZWWZDEQVOKBNSP-IFMALSPDSA-N 1 1 463.557 3.497 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906929 721546594 /nfs/dbraw/zinc/54/65/94/721546594.db2.gz LVPKSZVRLJDABC-PKOBYXMFSA-N 1 1 470.545 3.334 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21)OCC ZINC001164800233 721554712 /nfs/dbraw/zinc/55/47/12/721554712.db2.gz DKCXYUCYFMXZQY-RZUBCFFCSA-N 1 1 476.021 3.335 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21)OCC ZINC001164800233 721554717 /nfs/dbraw/zinc/55/47/17/721554717.db2.gz DKCXYUCYFMXZQY-RZUBCFFCSA-N 1 1 476.021 3.335 20 0 JGADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907170 721556178 /nfs/dbraw/zinc/55/61/78/721556178.db2.gz MJKNWPLWAMZQPD-FPOVZHCZSA-N 1 1 462.591 3.030 20 0 JGADMO COC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)[nH]c(Cl)cc-2n1 ZINC001164801721 721568056 /nfs/dbraw/zinc/56/80/56/721568056.db2.gz HCIZQEHOXHTYNX-SVFBPWRDSA-N 1 1 455.946 3.266 20 0 JGADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1=O ZINC001164904552 721575269 /nfs/dbraw/zinc/57/52/69/721575269.db2.gz WLQHECDLUIXUSF-IEBWSBKVSA-N 1 1 469.655 3.097 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)c1 ZINC001164808093 721584470 /nfs/dbraw/zinc/58/44/70/721584470.db2.gz PVLHMJZLKVAFQG-UMFSSWHCSA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)c1 ZINC001164808093 721584472 /nfs/dbraw/zinc/58/44/72/721584472.db2.gz PVLHMJZLKVAFQG-UMFSSWHCSA-N 1 1 461.566 3.424 20 0 JGADMO COc1cccc(CN2C[C@H]3CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164801472 721592801 /nfs/dbraw/zinc/59/28/01/721592801.db2.gz FBKWATBWRVHJHI-QPPBQGQZSA-N 1 1 470.639 3.115 20 0 JGADMO O=S(=O)(c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)N1CCCCC1 ZINC001164912262 721724004 /nfs/dbraw/zinc/72/40/04/721724004.db2.gz NLGBBGDNBSBECB-HSZRJFAPSA-N 1 1 491.608 3.389 20 0 JGADMO O=C(c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1)N1CCOCC1 ZINC001164913503 721727404 /nfs/dbraw/zinc/72/74/04/721727404.db2.gz WMAMXOJSACDYKS-HSZRJFAPSA-N 1 1 491.970 3.340 20 0 JGADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(Cl)c3cccc(F)c3n2)CC1 ZINC001165011960 721733158 /nfs/dbraw/zinc/73/31/58/721733158.db2.gz ZJSFFVMUWGAVGQ-UHFFFAOYSA-N 1 1 455.912 3.490 20 0 JGADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)CC1 ZINC001165009897 721744275 /nfs/dbraw/zinc/74/42/75/721744275.db2.gz JQKRTYZQVPOZHC-UHFFFAOYSA-N 1 1 464.948 3.260 20 0 JGADMO CCOC(=O)C1CCN(c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)CC1 ZINC001164910162 721756981 /nfs/dbraw/zinc/75/69/81/721756981.db2.gz OXSOSPOBGURTIU-UHFFFAOYSA-N 1 1 490.608 3.439 20 0 JGADMO CCOC(=O)C1CCN(c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)CC1 ZINC001164910162 721756992 /nfs/dbraw/zinc/75/69/92/721756992.db2.gz OXSOSPOBGURTIU-UHFFFAOYSA-N 1 1 490.608 3.439 20 0 JGADMO COc1cccc2c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164912504 721767873 /nfs/dbraw/zinc/76/78/73/721767873.db2.gz MZXFFGWSJRNDLL-DEOSSOPVSA-N 1 1 454.958 3.400 20 0 JGADMO COc1cccc2c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164912504 721767879 /nfs/dbraw/zinc/76/78/79/721767879.db2.gz MZXFFGWSJRNDLL-DEOSSOPVSA-N 1 1 454.958 3.400 20 0 JGADMO COc1cccc2c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164912505 721768401 /nfs/dbraw/zinc/76/84/01/721768401.db2.gz MZXFFGWSJRNDLL-XMMPIXPASA-N 1 1 454.958 3.400 20 0 JGADMO COc1cccc2c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164912505 721768406 /nfs/dbraw/zinc/76/84/06/721768406.db2.gz MZXFFGWSJRNDLL-XMMPIXPASA-N 1 1 454.958 3.400 20 0 JGADMO CC(C)(C)c1cc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2s1 ZINC001164912923 721775107 /nfs/dbraw/zinc/77/51/07/721775107.db2.gz RWDBGLNPRZQLJW-XMMPIXPASA-N 1 1 453.612 3.492 20 0 JGADMO CC(C)(C)c1cc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2s1 ZINC001164912923 721775108 /nfs/dbraw/zinc/77/51/08/721775108.db2.gz RWDBGLNPRZQLJW-XMMPIXPASA-N 1 1 453.612 3.492 20 0 JGADMO Clc1cccc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912618 721779810 /nfs/dbraw/zinc/77/98/10/721779810.db2.gz NEXUYXGPSDIQST-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cccc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912618 721779816 /nfs/dbraw/zinc/77/98/16/721779816.db2.gz NEXUYXGPSDIQST-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cc2c(Cl)ccnc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914534 721781660 /nfs/dbraw/zinc/78/16/60/721781660.db2.gz DVVFCQIPMHWGMD-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cc2c(Cl)ccnc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914534 721781664 /nfs/dbraw/zinc/78/16/64/721781664.db2.gz DVVFCQIPMHWGMD-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO C[C@H]1CCc2c(sc3ncnc(N4CCO[C@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c23)C1 ZINC001164916986 721782103 /nfs/dbraw/zinc/78/21/03/721782103.db2.gz UTGDDELGDORNDZ-AVRWGWEMSA-N 1 1 465.623 3.319 20 0 JGADMO C[C@H]1CCc2c(sc3ncnc(N4CCO[C@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c23)C1 ZINC001164916986 721782109 /nfs/dbraw/zinc/78/21/09/721782109.db2.gz UTGDDELGDORNDZ-AVRWGWEMSA-N 1 1 465.623 3.319 20 0 JGADMO Clc1ncc(-c2ccccc2)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916654 721783913 /nfs/dbraw/zinc/78/39/13/721783913.db2.gz RVVPXVAIQANDFE-DEOSSOPVSA-N 1 1 451.958 3.300 20 0 JGADMO Clc1ncc(-c2ccccc2)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916654 721783922 /nfs/dbraw/zinc/78/39/22/721783922.db2.gz RVVPXVAIQANDFE-DEOSSOPVSA-N 1 1 451.958 3.300 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)n1 ZINC001165024756 721787575 /nfs/dbraw/zinc/78/75/75/721787575.db2.gz SPWBXDMPEFNMQW-VWLOTQADSA-N 1 1 489.686 3.240 20 0 JGADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913256 721797020 /nfs/dbraw/zinc/79/70/20/721797020.db2.gz CGPASPFVVPPJNI-DEOSSOPVSA-N 1 1 469.948 3.439 20 0 JGADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913256 721797023 /nfs/dbraw/zinc/79/70/23/721797023.db2.gz CGPASPFVVPPJNI-DEOSSOPVSA-N 1 1 469.948 3.439 20 0 JGADMO c1cc2c(nc(-c3ccncc3)nc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001164913415 721798166 /nfs/dbraw/zinc/79/81/66/721798166.db2.gz CVPJGVYFCAERPX-RUZDIDTESA-N 1 1 474.590 3.256 20 0 JGADMO c1cc2c(nc(-c3ccncc3)nc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)s1 ZINC001164913415 721798168 /nfs/dbraw/zinc/79/81/68/721798168.db2.gz CVPJGVYFCAERPX-RUZDIDTESA-N 1 1 474.590 3.256 20 0 JGADMO Fc1ccc2nc(C(F)F)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164913757 721799137 /nfs/dbraw/zinc/79/91/37/721799137.db2.gz GWKVPLXARVEGJR-HSZRJFAPSA-N 1 1 459.472 3.209 20 0 JGADMO Fc1ccc2nc(C(F)F)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164913757 721799139 /nfs/dbraw/zinc/79/91/39/721799139.db2.gz GWKVPLXARVEGJR-HSZRJFAPSA-N 1 1 459.472 3.209 20 0 JGADMO CCOC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)CC1 ZINC001165026451 721817859 /nfs/dbraw/zinc/81/78/59/721817859.db2.gz QMCLIIMGXSOYDO-XWGVYQGASA-N 1 1 478.641 3.388 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc2C1 ZINC001165027694 721824349 /nfs/dbraw/zinc/82/43/49/721824349.db2.gz TUCFGORMIOGACD-HARLFGEKSA-N 1 1 450.587 3.123 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)N4CCOCC4)cc3Cl)C[C@@H]21 ZINC001165024613 721824990 /nfs/dbraw/zinc/82/49/90/721824990.db2.gz KTZQKDQDLMZYAU-AVCGJXAMSA-N 1 1 470.017 3.339 20 0 JGADMO COc1ccc2c(C)cc(N3CCO[C@]4(C3)COCCN(Cc3csc(C)n3)C4)[nH+]c2c1 ZINC001164920422 721829836 /nfs/dbraw/zinc/82/98/36/721829836.db2.gz DEZFPYBHUIOOBS-XMMPIXPASA-N 1 1 454.596 3.425 20 0 JGADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)CC[C@@H]2C1=O ZINC001164920056 721844428 /nfs/dbraw/zinc/84/44/28/721844428.db2.gz GATBLCYTSZOAHX-FPOVZHCZSA-N 1 1 495.649 3.120 20 0 JGADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923420 721851963 /nfs/dbraw/zinc/85/19/63/721851963.db2.gz AKQVSYPSPHPSKC-DQEYMECFSA-N 1 1 486.599 3.242 20 0 JGADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923420 721851966 /nfs/dbraw/zinc/85/19/66/721851966.db2.gz AKQVSYPSPHPSKC-DQEYMECFSA-N 1 1 486.599 3.242 20 0 JGADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001165035369 721875489 /nfs/dbraw/zinc/87/54/89/721875489.db2.gz UOKOLSXUBZBXOM-WMZOPIPTSA-N 1 1 485.654 3.060 20 0 JGADMO COC(=O)C1CCN(c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)n2)CC1 ZINC001164939525 721928774 /nfs/dbraw/zinc/92/87/74/721928774.db2.gz LZNYJLNSIBXVPF-UHFFFAOYSA-N 1 1 479.625 3.046 20 0 JGADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(CN5C(=O)NC(C)(C)C5=O)cn4)CC3)C2)cc1 ZINC001164939024 721931262 /nfs/dbraw/zinc/93/12/62/721931262.db2.gz HHUFQWFTDDEGOJ-UHFFFAOYSA-N 1 1 477.609 3.092 20 0 JGADMO COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)n2)cc1 ZINC001164950494 721980673 /nfs/dbraw/zinc/98/06/73/721980673.db2.gz VGQKRWXJRZRUNR-UHFFFAOYSA-N 1 1 486.620 3.093 20 0 JGADMO CS(=O)(=O)N1C[C@H]2CCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)[C@@H]2C1 ZINC001164951375 721985230 /nfs/dbraw/zinc/98/52/30/721985230.db2.gz YSJRSFKLYGGDJQ-SJLPKXTDSA-N 1 1 475.684 3.026 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@H]5CN(S(C)(=O)=O)C[C@H]53)n2)CCC4)CC1 ZINC001164952840 721985272 /nfs/dbraw/zinc/98/52/72/721985272.db2.gz PSYCUMGTYSPARK-PKOBYXMFSA-N 1 1 489.711 3.272 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@@H]5CN(S(C)(=O)=O)C[C@@H]54)c23)C1 ZINC001164953908 721985301 /nfs/dbraw/zinc/98/53/01/721985301.db2.gz SMTUCNMFXWZICR-LMMKCTJWSA-N 1 1 489.711 3.272 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C3)C[C@H](NC(=O)N(C)C)CCO4)c2c1C ZINC001164955330 722010001 /nfs/dbraw/zinc/01/00/01/722010001.db2.gz USDWRKCMKQGHMD-KOSHJBKYSA-N 1 1 472.659 3.303 20 0 JGADMO Cc1cc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc(N3CCOCC3)c2s1 ZINC001164963916 722057632 /nfs/dbraw/zinc/05/76/32/722057632.db2.gz PQKNTYHLEIVBTG-UHFFFAOYSA-N 1 1 494.665 3.350 20 0 JGADMO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2s1 ZINC001164963264 722057952 /nfs/dbraw/zinc/05/79/52/722057952.db2.gz UXIVHNWLAQIXIE-UHFFFAOYSA-N 1 1 467.595 3.382 20 0 JGADMO c1cc(C[N@H+]2CCOCC3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC3)C2)ccn1 ZINC001164961571 722059829 /nfs/dbraw/zinc/05/98/29/722059829.db2.gz MAGKAZVKRGEXIO-UHFFFAOYSA-N 1 1 473.577 3.429 20 0 JGADMO COc1cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(Cl)n1 ZINC001164963241 722062508 /nfs/dbraw/zinc/06/25/08/722062508.db2.gz BJLAVBPXSCLUHW-UHFFFAOYSA-N 1 1 453.921 3.198 20 0 JGADMO COC(=O)c1nc(Cl)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(Cl)n1 ZINC001164966131 722062521 /nfs/dbraw/zinc/06/25/21/722062521.db2.gz OLOXIACJIGDSKE-UHFFFAOYSA-N 1 1 466.369 3.084 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C(=O)N(c6cnn(C)c6)C[C@@H]5C4)c23)C1 ZINC001164980126 722095467 /nfs/dbraw/zinc/09/54/67/722095467.db2.gz LMTGLYNREIKZDL-UWVAXJGDSA-N 1 1 491.665 3.245 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164978315 722102877 /nfs/dbraw/zinc/10/28/77/722102877.db2.gz GRHHOOUZRPOBCI-RXVVDRJESA-N 1 1 467.957 3.192 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981395 722107577 /nfs/dbraw/zinc/10/75/77/722107577.db2.gz LHMDIOMIODMGPP-AEFFLSMTSA-N 1 1 466.916 3.189 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164974913 722110132 /nfs/dbraw/zinc/11/01/32/722110132.db2.gz IVLYOWXKKPPIKS-VGOFRKELSA-N 1 1 469.973 3.423 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)OCC ZINC001164975099 722118503 /nfs/dbraw/zinc/11/85/03/722118503.db2.gz JKWWYCRERSEOAW-FPOVZHCZSA-N 1 1 476.021 3.194 20 0 JGADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972528 722125039 /nfs/dbraw/zinc/12/50/39/722125039.db2.gz FXOVSRGDDUAQBC-QUCCMNQESA-N 1 1 458.006 3.386 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[C@@H]3C2)c1 ZINC001164982164 722127345 /nfs/dbraw/zinc/12/73/45/722127345.db2.gz WCYNAYOPFYIXIJ-RCZVLFRGSA-N 1 1 486.624 3.046 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@H]3C2)c1 ZINC001164980320 722142681 /nfs/dbraw/zinc/14/26/81/722142681.db2.gz MTBJYWWUORWHFM-SQJMNOBHSA-N 1 1 459.550 3.037 20 0 JGADMO Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164981595 722151309 /nfs/dbraw/zinc/15/13/09/722151309.db2.gz PJSQPKDUDRQXRV-XZOQPEGZSA-N 1 1 458.566 3.160 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4c(n(C)nc4C(=O)N4CCOCC4)C3)c2c1C ZINC001164973204 722160424 /nfs/dbraw/zinc/16/04/24/722160424.db2.gz LSAMEXWHKHLXOZ-UHFFFAOYSA-N 1 1 495.653 3.020 20 0 JGADMO CN1c2ccccc2[C@]2(CCN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@@H](CO)C3)C2)C1=O ZINC001164977641 722162552 /nfs/dbraw/zinc/16/25/52/722162552.db2.gz GJBFGJRJUCRMCK-WHLCRQNOSA-N 1 1 491.636 3.005 20 0 JGADMO c1coc(CN=c2ccnc([C@@H]3COCCN3)n2-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001164986336 722173103 /nfs/dbraw/zinc/17/31/03/722173103.db2.gz KAQHRZHOTKOZGT-VWLOTQADSA-N 1 1 482.588 3.180 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001164999428 722219071 /nfs/dbraw/zinc/21/90/71/722219071.db2.gz QTYHMIAOGVVKMR-ZEQKJWHPSA-N 1 1 462.598 3.455 20 0 JGADMO COCCO[C@H]1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]1Cc1cnn(C)c1 ZINC001164997435 722223108 /nfs/dbraw/zinc/22/31/08/722223108.db2.gz DPAIJLPBHLHSGJ-UIOOFZCWSA-N 1 1 461.610 3.226 20 0 JGADMO CC(=O)NCc1ncn2c1CN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)CCC2 ZINC001165000881 722228432 /nfs/dbraw/zinc/22/84/32/722228432.db2.gz VMXXPVFAESLCDN-UHFFFAOYSA-N 1 1 453.616 3.147 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccc(N5CCCCC5)cc4)nn2)CC3)CC1 ZINC001165001564 722238971 /nfs/dbraw/zinc/23/89/71/722238971.db2.gz JAYFGRAPYZXABC-UHFFFAOYSA-N 1 1 484.652 3.281 20 0 JGADMO Cc1ccc(Oc2nc(Cl)ncc2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc1 ZINC001165001485 722239559 /nfs/dbraw/zinc/23/95/59/722239559.db2.gz GPIIDGPGKIRWGY-UHFFFAOYSA-N 1 1 465.989 3.378 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4OCCN(C(=O)c5cccn5C)C[C@@H]4C3)c2c1C ZINC001165005636 722244237 /nfs/dbraw/zinc/24/42/37/722244237.db2.gz VHMHTAGHOWIJCM-CTNGQTDRSA-N 1 1 494.665 3.220 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)nc1 ZINC001165006052 722244771 /nfs/dbraw/zinc/24/47/71/722244771.db2.gz WXXXCQZNLCKEOT-CQOQZXRMSA-N 1 1 451.615 3.335 20 0 JGADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)Oc1ccccc1F ZINC001305802339 1069325431 /nfs/dbraw/zinc/32/54/31/1069325431.db2.gz CYZLIIWIZMVFPL-IPMKNSEASA-N 1 1 458.582 3.086 20 0 JGADMO CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001305804634 1069329661 /nfs/dbraw/zinc/32/96/61/1069329661.db2.gz HWXDTEYPFJXDJL-CTNGQTDRSA-N 1 1 463.586 3.061 20 0 JGADMO CC[C@@H](Cn1c(C)nnc1N1CCN(C(=O)N(CC)CC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001305807501 1069336254 /nfs/dbraw/zinc/33/62/54/1069336254.db2.gz JEGYVANHEWZZBE-QHCPKHFHSA-N 1 1 453.635 3.007 20 0 JGADMO CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001305808174 1069337125 /nfs/dbraw/zinc/33/71/25/1069337125.db2.gz JFYSTTGWZWGPLC-UXHICEINSA-N 1 1 476.691 3.393 20 0 JGADMO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001305826343 1069365646 /nfs/dbraw/zinc/36/56/46/1069365646.db2.gz GNINMRLAWPIATN-IEIRFRATSA-N 1 1 466.634 3.326 20 0 JGADMO CC[C@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC ZINC001305826376 1069365833 /nfs/dbraw/zinc/36/58/33/1069365833.db2.gz GYYPJCTWBVWOIS-LJQANCHMSA-N 1 1 481.645 3.411 20 0 JGADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305832731 1069373337 /nfs/dbraw/zinc/37/33/37/1069373337.db2.gz AQKVNUSJJZKMHC-DFBJGRDBSA-N 1 1 478.682 3.471 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305831897 1069372737 /nfs/dbraw/zinc/37/27/37/1069372737.db2.gz GMSPQKOGJUAOSA-NCXUSEDFSA-N 1 1 450.628 3.004 20 0 JGADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001305839300 1069384983 /nfs/dbraw/zinc/38/49/83/1069384983.db2.gz UOMYEYGCGBMIGV-YADHBBJMSA-N 1 1 473.687 3.327 20 0 JGADMO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC001305837845 1069381543 /nfs/dbraw/zinc/38/15/43/1069381543.db2.gz PLARLYJEWUQQOG-XBYSBRQOSA-N 1 1 489.686 3.095 20 0 JGADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305839300 1069384970 /nfs/dbraw/zinc/38/49/70/1069384970.db2.gz UOMYEYGCGBMIGV-YADHBBJMSA-N 1 1 473.687 3.327 20 0 JGADMO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1)OC ZINC001305839668 1069386251 /nfs/dbraw/zinc/38/62/51/1069386251.db2.gz ZOMHEBGIPGTYNJ-FGZHOGPDSA-N 1 1 461.054 3.164 20 0 JGADMO CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1)OC ZINC001305840796 1069388501 /nfs/dbraw/zinc/38/85/01/1069388501.db2.gz FGUZMIOFVUDPQG-JOCHJYFZSA-N 1 1 450.587 3.020 20 0 JGADMO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001305850857 1069403482 /nfs/dbraw/zinc/40/34/82/1069403482.db2.gz UPZMLMKWKFJCGE-IYWMVGAKSA-N 1 1 462.639 3.148 20 0 JGADMO CCC(O)(CC)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001305853406 1069408237 /nfs/dbraw/zinc/40/82/37/1069408237.db2.gz DUOKHTLBFBMGOO-UHFFFAOYSA-N 1 1 478.641 3.454 20 0 JGADMO CC[C@]1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC001305890042 1069446750 /nfs/dbraw/zinc/44/67/50/1069446750.db2.gz CNDRTHFXKDMJCN-WIOPSUGQSA-N 1 1 489.686 3.074 20 0 JGADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001305886172 1069442480 /nfs/dbraw/zinc/44/24/80/1069442480.db2.gz IUKWVXHHCPKSQZ-WIOPSUGQSA-N 1 1 457.619 3.316 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305893492 1069450587 /nfs/dbraw/zinc/45/05/87/1069450587.db2.gz LHLCOKCKJSDGLC-QRVBRYPASA-N 1 1 454.685 3.025 20 0 JGADMO CCC1(CC)CN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001305897433 1069454410 /nfs/dbraw/zinc/45/44/10/1069454410.db2.gz CGUKZRGVMFRRND-QHCPKHFHSA-N 1 1 459.660 3.078 20 0 JGADMO CCC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@H+](C(C)C)CC2)CCOCC1 ZINC001305911668 1069466089 /nfs/dbraw/zinc/46/60/89/1069466089.db2.gz JAZBHRSYFJUWSR-UHFFFAOYSA-N 1 1 474.675 3.397 20 0 JGADMO CCC1(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[NH+](CCOC)CC2)CCC1 ZINC001305912904 1069467664 /nfs/dbraw/zinc/46/76/64/1069467664.db2.gz ARJRFMLDPNEMLO-BGYRXZFFSA-N 1 1 476.666 3.398 20 0 JGADMO CCc1ccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001305917423 1069471944 /nfs/dbraw/zinc/47/19/44/1069471944.db2.gz OPILVKFUURGPDM-RBBKRZOGSA-N 1 1 470.643 3.152 20 0 JGADMO CCc1ccc([C@@H](Cn2c(CC(C)C)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC001305918333 1069473135 /nfs/dbraw/zinc/47/31/35/1069473135.db2.gz LSYIOSWGHHNRJL-FGZHOGPDSA-N 1 1 461.676 3.355 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298208102 1064125253 /nfs/dbraw/zinc/12/52/53/1064125253.db2.gz IXIUEBMDFRPBAW-UHFFFAOYSA-N 1 1 463.026 3.060 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298208102 1064125258 /nfs/dbraw/zinc/12/52/58/1064125258.db2.gz IXIUEBMDFRPBAW-UHFFFAOYSA-N 1 1 463.026 3.060 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001298208679 1064126207 /nfs/dbraw/zinc/12/62/07/1064126207.db2.gz OWTWWTVQYAMHFT-JOCHJYFZSA-N 1 1 490.656 3.388 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001298219215 1064133334 /nfs/dbraw/zinc/13/33/34/1064133334.db2.gz YPQOXIYBAAKVMY-UHFFFAOYSA-N 1 1 461.010 3.123 20 0 JGADMO CN(CC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298230120 1064138672 /nfs/dbraw/zinc/13/86/72/1064138672.db2.gz LJLRCTXDAMBFLX-FGZHOGPDSA-N 1 1 473.687 3.227 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1Cc1cc(COC(C)(C)C)on1 ZINC001298236307 1064142194 /nfs/dbraw/zinc/14/21/94/1064142194.db2.gz QPZLJTHBNQFJQV-UHFFFAOYSA-N 1 1 497.644 3.486 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1Cc1nccs1 ZINC001298239991 1064144505 /nfs/dbraw/zinc/14/45/05/1064144505.db2.gz NHDIEQAWTUDDEB-UHFFFAOYSA-N 1 1 458.607 3.307 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001298239844 1064144553 /nfs/dbraw/zinc/14/45/53/1064144553.db2.gz KUHFYMSAPVPMKN-LVXARBLLSA-N 1 1 477.694 3.390 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC=CO1 ZINC001298239801 1064144623 /nfs/dbraw/zinc/14/46/23/1064144623.db2.gz KSCQTEQDZBTEHA-NRFANRHFSA-N 1 1 457.594 3.495 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO1 ZINC001298240477 1064146104 /nfs/dbraw/zinc/14/61/04/1064146104.db2.gz RJKYHFXFKOURMS-GOSISDBHSA-N 1 1 463.573 3.121 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001298240788 1064146576 /nfs/dbraw/zinc/14/65/76/1064146576.db2.gz WXHCVTBIZNFTNA-KBMIEXCESA-N 1 1 492.064 3.138 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CCn1cc(Cl)cn1 ZINC001298241051 1064147316 /nfs/dbraw/zinc/14/73/16/1064147316.db2.gz YPIOXOUKMWCFTG-UHFFFAOYSA-N 1 1 490.027 3.353 20 0 JGADMO O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001298268470 1064160529 /nfs/dbraw/zinc/16/05/29/1064160529.db2.gz UVSUEDHKWCHMQZ-SFHVURJKSA-N 1 1 456.368 3.185 20 0 JGADMO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298274648 1064165035 /nfs/dbraw/zinc/16/50/35/1064165035.db2.gz KBUMFOSZOXMVNN-PZJWPPBQSA-N 1 1 492.462 3.418 20 0 JGADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001298281762 1064168439 /nfs/dbraw/zinc/16/84/39/1064168439.db2.gz RFKBSXBXVHWCBP-ZDUSSCGKSA-N 1 1 458.399 3.145 20 0 JGADMO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298282246 1064168700 /nfs/dbraw/zinc/16/87/00/1064168700.db2.gz APBZPGBNJPYYHK-OAHLLOKOSA-N 1 1 484.464 3.353 20 0 JGADMO CN(Cc1ccc(Br)s1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298282246 1064168708 /nfs/dbraw/zinc/16/87/08/1064168708.db2.gz APBZPGBNJPYYHK-OAHLLOKOSA-N 1 1 484.464 3.353 20 0 JGADMO CN(Cc1ccc(OC(F)F)cc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298314129 1064189459 /nfs/dbraw/zinc/18/94/59/1064189459.db2.gz HOFBWIBSAYJAFK-UHFFFAOYSA-N 1 1 475.544 3.027 20 0 JGADMO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298325572 1064201509 /nfs/dbraw/zinc/20/15/09/1064201509.db2.gz ZLEPZSIFJGNRLB-XIFFEERXSA-N 1 1 487.695 3.415 20 0 JGADMO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298325572 1064201517 /nfs/dbraw/zinc/20/15/17/1064201517.db2.gz ZLEPZSIFJGNRLB-XIFFEERXSA-N 1 1 487.695 3.415 20 0 JGADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001298327542 1064202828 /nfs/dbraw/zinc/20/28/28/1064202828.db2.gz CZUJHJBBCVHYFY-DEOSSOPVSA-N 1 1 452.595 3.277 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298328073 1064203270 /nfs/dbraw/zinc/20/32/70/1064203270.db2.gz DITIZIWSXBGHSF-LJQANCHMSA-N 1 1 480.579 3.463 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298328073 1064203278 /nfs/dbraw/zinc/20/32/78/1064203278.db2.gz DITIZIWSXBGHSF-LJQANCHMSA-N 1 1 480.579 3.463 20 0 JGADMO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298328073 1064203284 /nfs/dbraw/zinc/20/32/84/1064203284.db2.gz DITIZIWSXBGHSF-LJQANCHMSA-N 1 1 480.579 3.463 20 0 JGADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](CO)Cc2ccccc21 ZINC001298335463 1064207895 /nfs/dbraw/zinc/20/78/95/1064207895.db2.gz YXHQAZJQTHVNRC-UNMCSNQZSA-N 1 1 453.583 3.210 20 0 JGADMO CN(Cc1cccc(Cl)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298338108 1064208407 /nfs/dbraw/zinc/20/84/07/1064208407.db2.gz RYUXGLADKMOCNA-QFIPXVFZSA-N 1 1 455.006 3.401 20 0 JGADMO CN(Cc1cccc(F)c1)c1nnc(Cc2cccnc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298340867 1064209634 /nfs/dbraw/zinc/20/96/34/1064209634.db2.gz VIVDFTUSDNWRBV-UHFFFAOYSA-N 1 1 451.594 3.065 20 0 JGADMO CN(Cc1cccc(F)c1)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298340867 1064209639 /nfs/dbraw/zinc/20/96/39/1064209639.db2.gz VIVDFTUSDNWRBV-UHFFFAOYSA-N 1 1 451.594 3.065 20 0 JGADMO CN(Cc1cccc(F)c1)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298340867 1064209644 /nfs/dbraw/zinc/20/96/44/1064209644.db2.gz VIVDFTUSDNWRBV-UHFFFAOYSA-N 1 1 451.594 3.065 20 0 JGADMO Cn1cc(-c2nnc(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n2CCCNC(=O)OC(C)(C)C)cn1 ZINC001298349177 1064212748 /nfs/dbraw/zinc/21/27/48/1064212748.db2.gz AKEFQEYYXYZVSF-JOCHJYFZSA-N 1 1 494.644 3.304 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001298349278 1064213356 /nfs/dbraw/zinc/21/33/56/1064213356.db2.gz BXKCGZKDDGJTKZ-QFIPXVFZSA-N 1 1 482.654 3.264 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)C1 ZINC001298350777 1064214277 /nfs/dbraw/zinc/21/42/77/1064214277.db2.gz LXVBJBPKJLWCGT-MOPGFXCFSA-N 1 1 485.576 3.233 20 0 JGADMO CN(Cc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298376248 1064224476 /nfs/dbraw/zinc/22/44/76/1064224476.db2.gz MGRAFUBQIOKLIU-UHFFFAOYSA-N 1 1 463.380 3.376 20 0 JGADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001298378808 1064225883 /nfs/dbraw/zinc/22/58/83/1064225883.db2.gz QAZBBFGHGHWTTK-UYAOXDASSA-N 1 1 459.493 3.098 20 0 JGADMO C[NH+]1CCN(CC2CN(C(=O)c3cccc(OCc4ccccc4Br)c3)C2)CC1 ZINC001298437115 1064251053 /nfs/dbraw/zinc/25/10/53/1064251053.db2.gz BUCMYJYTZLKQKX-UHFFFAOYSA-N 1 1 458.400 3.348 20 0 JGADMO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CC=CCC1 ZINC001298462619 1064264535 /nfs/dbraw/zinc/26/45/35/1064264535.db2.gz UPJXVTICOMIVRS-UHFFFAOYSA-N 1 1 462.936 3.353 20 0 JGADMO CN(CC1CC(F)C1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001298487391 1064276526 /nfs/dbraw/zinc/27/65/26/1064276526.db2.gz NEHUGFPQANIOMX-ABHNRTSZSA-N 1 1 451.537 3.178 20 0 JGADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c(c3)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N4)C2)C1 ZINC001298519445 1064288250 /nfs/dbraw/zinc/28/82/50/1064288250.db2.gz SRFDONLCCRIISC-NBGIEHNGSA-N 1 1 456.587 3.023 20 0 JGADMO CN(CC1CCC1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001298521234 1064289646 /nfs/dbraw/zinc/28/96/46/1064289646.db2.gz ZJULVYYZQKCNQM-UMSFTDKQSA-N 1 1 486.730 3.426 20 0 JGADMO CN(CC1CCC1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001298521235 1064289800 /nfs/dbraw/zinc/28/98/00/1064289800.db2.gz ZJULVYYZQKCNQM-UUWRZZSWSA-N 1 1 486.730 3.426 20 0 JGADMO CN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298522846 1064290449 /nfs/dbraw/zinc/29/04/49/1064290449.db2.gz VHUGJXXIFLBXRC-KDURUIRLSA-N 1 1 462.639 3.006 20 0 JGADMO CN(CC1CC1)c1nnc(COc2ccc(Br)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298522866 1064290538 /nfs/dbraw/zinc/29/05/38/1064290538.db2.gz VSWBOUMPQJQQJC-UHFFFAOYSA-N 1 1 491.478 3.492 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298538444 1064300363 /nfs/dbraw/zinc/30/03/63/1064300363.db2.gz ZPUUOPAPXODSLQ-OALUTQOASA-N 1 1 455.607 3.051 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(Cc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298546858 1064309000 /nfs/dbraw/zinc/30/90/00/1064309000.db2.gz SBRZHPMIYUMVGQ-QFIPXVFZSA-N 1 1 458.626 3.039 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(Cc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298546858 1064309017 /nfs/dbraw/zinc/30/90/17/1064309017.db2.gz SBRZHPMIYUMVGQ-QFIPXVFZSA-N 1 1 458.626 3.039 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298546858 1064309035 /nfs/dbraw/zinc/30/90/35/1064309035.db2.gz SBRZHPMIYUMVGQ-QFIPXVFZSA-N 1 1 458.626 3.039 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)F ZINC001298565767 1064335930 /nfs/dbraw/zinc/33/59/30/1064335930.db2.gz BYNVFPRLPIAYEZ-GOSISDBHSA-N 1 1 450.509 3.035 20 0 JGADMO CC(C)N1CC[NH+](CCC(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC001298567457 1064338651 /nfs/dbraw/zinc/33/86/51/1064338651.db2.gz WLQWGGZILAAGPG-RDGATRHJSA-N 1 1 455.574 3.109 20 0 JGADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)Br ZINC001298568688 1064342478 /nfs/dbraw/zinc/34/24/78/1064342478.db2.gz XVJGCXBZIVFKMM-IAGOWNOFSA-N 1 1 497.388 3.175 20 0 JGADMO CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298572015 1064346140 /nfs/dbraw/zinc/34/61/40/1064346140.db2.gz UXDUDDOLHXVUFH-HNNXBMFYSA-N 1 1 484.464 3.353 20 0 JGADMO CN(CC1CCOCC1)c1nnc(-c2cc(F)ccc2Br)n1CCC[NH+]1CCOCC1 ZINC001298577758 1064351392 /nfs/dbraw/zinc/35/13/92/1064351392.db2.gz PDHMFJMNKBVGAT-UHFFFAOYSA-N 1 1 496.425 3.432 20 0 JGADMO CN(CCC(F)(F)F)c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298595513 1064371305 /nfs/dbraw/zinc/37/13/05/1064371305.db2.gz HACNDIBQLCVSTE-OAQYLSRUSA-N 1 1 480.579 3.379 20 0 JGADMO CN(CCc1nccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001298630159 1064402672 /nfs/dbraw/zinc/40/26/72/1064402672.db2.gz GCPKRQYNPFGUSL-UHFFFAOYSA-N 1 1 488.683 3.358 20 0 JGADMO CN(CCC1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298645674 1064418087 /nfs/dbraw/zinc/41/80/87/1064418087.db2.gz CNUWTXYIXYNUES-UHFFFAOYSA-N 1 1 469.634 3.443 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@H+]1CC=CCC1 ZINC001298653280 1064427504 /nfs/dbraw/zinc/42/75/04/1064427504.db2.gz CTWDFPGJYDPIEV-UHFFFAOYSA-N 1 1 480.638 3.075 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+]1CC=CCC1 ZINC001298653280 1064427510 /nfs/dbraw/zinc/42/75/10/1064427510.db2.gz CTWDFPGJYDPIEV-UHFFFAOYSA-N 1 1 480.638 3.075 20 0 JGADMO C[N@@H+](CCCn1c(-c2cccc(Cl)c2)nnc1N1CCS(=O)(=O)CC1)C1CCCCC1 ZINC001298666790 1064445387 /nfs/dbraw/zinc/44/53/87/1064445387.db2.gz LEVBOAOTSCOQJQ-UHFFFAOYSA-N 1 1 466.051 3.488 20 0 JGADMO CN(CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)CC(F)(F)F ZINC001298666810 1064445436 /nfs/dbraw/zinc/44/54/36/1064445436.db2.gz MHAAIIVECQJRTR-GOSISDBHSA-N 1 1 472.943 3.004 20 0 JGADMO CN(CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)CC(F)(F)F ZINC001298666810 1064445445 /nfs/dbraw/zinc/44/54/45/1064445445.db2.gz MHAAIIVECQJRTR-GOSISDBHSA-N 1 1 472.943 3.004 20 0 JGADMO C[N@@H+](CCCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CCCCC1 ZINC001298669516 1064450861 /nfs/dbraw/zinc/45/08/61/1064450861.db2.gz GKKUXJIZHCDCLM-LJQANCHMSA-N 1 1 493.578 3.500 20 0 JGADMO C[N@@H+](CCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298672260 1064456093 /nfs/dbraw/zinc/45/60/93/1064456093.db2.gz RWGGNNMSGSCRAC-IFMALSPDSA-N 1 1 481.707 3.230 20 0 JGADMO C[N@@H+](CCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298672265 1064456150 /nfs/dbraw/zinc/45/61/50/1064456150.db2.gz RWGGNNMSGSCRAC-RBBKRZOGSA-N 1 1 481.707 3.230 20 0 JGADMO CN(CCCn1c(Cc2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)CC(F)(F)F ZINC001298674166 1064459171 /nfs/dbraw/zinc/45/91/71/1064459171.db2.gz KDOMJCCFQOTRPK-QHCPKHFHSA-N 1 1 498.569 3.193 20 0 JGADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(-c2ccc[nH]2)nnc1N1CCOC2(CCC2)C1 ZINC001298682831 1064475106 /nfs/dbraw/zinc/47/51/06/1064475106.db2.gz KFVYDBHPKUPBOC-UHFFFAOYSA-N 1 1 487.649 3.269 20 0 JGADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c([C@H]2CCOC2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001298683246 1064476694 /nfs/dbraw/zinc/47/66/94/1064476694.db2.gz NQPPUNJHWGMNNW-SLFFLAALSA-N 1 1 476.666 3.111 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001298689444 1064485986 /nfs/dbraw/zinc/48/59/86/1064485986.db2.gz GJKYYTJTNIGROR-UHFFFAOYSA-N 1 1 454.040 3.344 20 0 JGADMO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001298696020 1064495660 /nfs/dbraw/zinc/49/56/60/1064495660.db2.gz JERCMFHQPOYMJQ-NLWGTHIKSA-N 1 1 481.688 3.145 20 0 JGADMO C[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CCCC1 ZINC001298697746 1064499893 /nfs/dbraw/zinc/49/98/93/1064499893.db2.gz IFSCSEQIKVKAQX-JOCHJYFZSA-N 1 1 475.435 3.284 20 0 JGADMO CN(c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1)[C@H]1CCOC1 ZINC001298697749 1064500583 /nfs/dbraw/zinc/50/05/83/1064500583.db2.gz IGHNZWZKYJWRSA-KRWDZBQOSA-N 1 1 451.413 3.146 20 0 JGADMO C[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C1CCCC1 ZINC001298698979 1064502453 /nfs/dbraw/zinc/50/24/53/1064502453.db2.gz WQDUPEIUTKFENX-UHFFFAOYSA-N 1 1 495.093 3.239 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1)Cc1ccc(F)cc1 ZINC001298704622 1064507742 /nfs/dbraw/zinc/50/77/42/1064507742.db2.gz MCVKYAIELNNTDP-IBGZPJMESA-N 1 1 464.467 3.379 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001298707737 1064513424 /nfs/dbraw/zinc/51/34/24/1064513424.db2.gz DEJSTDFIVBIROM-PMACEKPBSA-N 1 1 476.666 3.398 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CCCC1 ZINC001298710065 1064515685 /nfs/dbraw/zinc/51/56/85/1064515685.db2.gz XCXFTDSJAQPJJS-LEWJYISDSA-N 1 1 474.694 3.425 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001298712954 1064520578 /nfs/dbraw/zinc/52/05/78/1064520578.db2.gz DBMBNZRINVEFGN-SFTDATJTSA-N 1 1 474.694 3.425 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1)C1CCCC1 ZINC001298712982 1064521307 /nfs/dbraw/zinc/52/13/07/1064521307.db2.gz NVFYPSFBELPBQL-UHFFFAOYSA-N 1 1 459.038 3.489 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CCCCC1 ZINC001298713482 1064521722 /nfs/dbraw/zinc/52/17/22/1064521722.db2.gz SSTQQBNHXXNMSP-IBGZPJMESA-N 1 1 456.610 3.364 20 0 JGADMO C[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CCCCC1 ZINC001298714022 1064523261 /nfs/dbraw/zinc/52/32/61/1064523261.db2.gz XQGVFSZWBFJAKY-FQEVSTJZSA-N 1 1 456.610 3.364 20 0 JGADMO CN(C[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+](C)Cc2ccccc2)C1)S(C)(=O)=O ZINC001298714006 1064523346 /nfs/dbraw/zinc/52/33/46/1064523346.db2.gz JRJYUWCWMMOJOH-JOCHJYFZSA-N 1 1 490.718 3.107 20 0 JGADMO C[N@@H+](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1)C1CCCC1 ZINC001298716374 1064525743 /nfs/dbraw/zinc/52/57/43/1064525743.db2.gz AFILWPJRAOBLOF-HNNXBMFYSA-N 1 1 481.428 3.350 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1Cc1cccc(Br)n1 ZINC001298727479 1064535992 /nfs/dbraw/zinc/53/59/92/1064535992.db2.gz DZTQEHJOMXEKRR-UHFFFAOYSA-N 1 1 488.434 3.036 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1Cc1cccc(Br)n1 ZINC001298727479 1064536009 /nfs/dbraw/zinc/53/60/09/1064536009.db2.gz DZTQEHJOMXEKRR-UHFFFAOYSA-N 1 1 488.434 3.036 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)(F)F)c1 ZINC001298727507 1064537000 /nfs/dbraw/zinc/53/70/00/1064537000.db2.gz FOMAAGZMSVEGRF-UHFFFAOYSA-N 1 1 477.535 3.293 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)(F)F)c1 ZINC001298727507 1064537016 /nfs/dbraw/zinc/53/70/16/1064537016.db2.gz FOMAAGZMSVEGRF-UHFFFAOYSA-N 1 1 477.535 3.293 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)s2)n1Cc1ccn(C)n1 ZINC001298728508 1064541263 /nfs/dbraw/zinc/54/12/63/1064541263.db2.gz VKLLXHPOVIGZPQ-UHFFFAOYSA-N 1 1 494.463 3.098 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)s2)n1Cc1ccn(C)n1 ZINC001298728508 1064541276 /nfs/dbraw/zinc/54/12/76/1064541276.db2.gz VKLLXHPOVIGZPQ-UHFFFAOYSA-N 1 1 494.463 3.098 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1Cc1cccc(C(C)(F)F)c1 ZINC001298728817 1064543376 /nfs/dbraw/zinc/54/33/76/1064543376.db2.gz AZDUBTJQTVVFQG-UHFFFAOYSA-N 1 1 471.556 3.442 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1Cc1cccc(C(C)(F)F)c1 ZINC001298728817 1064543389 /nfs/dbraw/zinc/54/33/89/1064543389.db2.gz AZDUBTJQTVVFQG-UHFFFAOYSA-N 1 1 471.556 3.442 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1Cc1ccsc1Br ZINC001298730401 1064545868 /nfs/dbraw/zinc/54/58/68/1064545868.db2.gz YVFHZVYKDILNDO-INIZCTEOSA-N 1 1 484.464 3.201 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1Cc1ccsc1Br ZINC001298730401 1064545889 /nfs/dbraw/zinc/54/58/89/1064545889.db2.gz YVFHZVYKDILNDO-INIZCTEOSA-N 1 1 484.464 3.201 20 0 JGADMO CN(CCNS(C)(=O)=O)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@@H+]1CC=CCC1 ZINC001298740976 1064556468 /nfs/dbraw/zinc/55/64/68/1064556468.db2.gz YPUCSYCGZVGYMA-UHFFFAOYSA-N 1 1 495.074 3.061 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298747466 1064558977 /nfs/dbraw/zinc/55/89/77/1064558977.db2.gz CADXQPNVRKZOPU-HSZRJFAPSA-N 1 1 498.672 3.057 20 0 JGADMO CN(CCOc1cccc(Cl)c1)c1nnc(-c2cccn2C)n1CCC[NH+]1CCOCC1 ZINC001298760336 1064568526 /nfs/dbraw/zinc/56/85/26/1064568526.db2.gz FGOJMSLEEVHUNX-UHFFFAOYSA-N 1 1 458.994 3.175 20 0 JGADMO CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001298782493 1064586836 /nfs/dbraw/zinc/58/68/36/1064586836.db2.gz UVUYVIKNJCKSSC-RBBKRZOGSA-N 1 1 456.683 3.314 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[S@](=O)C(C)(C)C ZINC001298801848 1064599239 /nfs/dbraw/zinc/59/92/39/1064599239.db2.gz RJYRHBUVULEEES-ZOKDDAQRSA-N 1 1 497.507 3.268 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[S@](=O)C(C)(C)C ZINC001298801848 1064599251 /nfs/dbraw/zinc/59/92/51/1064599251.db2.gz RJYRHBUVULEEES-ZOKDDAQRSA-N 1 1 497.507 3.268 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CC(F)(F)Br)cn1 ZINC001298816834 1064618245 /nfs/dbraw/zinc/61/82/45/1064618245.db2.gz KQAUDTYBUDDZQD-UHFFFAOYSA-N 1 1 458.355 3.121 20 0 JGADMO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N(CCN1CCOCC1)Cc1sccc1Br ZINC001298839868 1064642379 /nfs/dbraw/zinc/64/23/79/1064642379.db2.gz KJLYFPGRFLAOCI-AEFFLSMTSA-N 1 1 456.450 3.188 20 0 JGADMO Cn1ccc(Nc2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001298843409 1064646056 /nfs/dbraw/zinc/64/60/56/1064646056.db2.gz XJJSRPYEBJTBMA-UHFFFAOYSA-N 1 1 471.009 3.461 20 0 JGADMO CN(OC1CCCC1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298878793 1064684062 /nfs/dbraw/zinc/68/40/62/1064684062.db2.gz MLMNRXIPDSNRIV-HXUWFJFHSA-N 1 1 450.381 3.085 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc(-c2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298879275 1064684260 /nfs/dbraw/zinc/68/42/60/1064684260.db2.gz OKCCYLIRDVHLDZ-HXUWFJFHSA-N 1 1 462.417 3.472 20 0 JGADMO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(-c2cccnc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298878774 1064684272 /nfs/dbraw/zinc/68/42/72/1064684272.db2.gz MHLYMZOEFUHSQD-NRFANRHFSA-N 1 1 464.467 3.201 20 0 JGADMO CN(CCCc1ccccn1)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298879757 1064685061 /nfs/dbraw/zinc/68/50/61/1064685061.db2.gz QRRLIICQWCFSKC-QHCPKHFHSA-N 1 1 485.430 3.238 20 0 JGADMO CN(CC1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001298879952 1064685863 /nfs/dbraw/zinc/68/58/63/1064685863.db2.gz SSIAQFICAVBWCI-AREMUKBSSA-N 1 1 484.645 3.095 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298881015 1064686856 /nfs/dbraw/zinc/68/68/56/1064686856.db2.gz BSFOMFGZWNPVGK-OAQYLSRUSA-N 1 1 494.365 3.055 20 0 JGADMO CN(CCOC(C)(C)C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298880814 1064686965 /nfs/dbraw/zinc/68/69/65/1064686965.db2.gz AKMQTOUZUSLGFC-JOCHJYFZSA-N 1 1 486.444 3.482 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298881444 1064687494 /nfs/dbraw/zinc/68/74/94/1064687494.db2.gz FUKRWNLVXYZPMB-AMGIVPHBSA-N 1 1 498.672 3.014 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(F)cc2Cl)CC1 ZINC001298886854 1064695926 /nfs/dbraw/zinc/69/59/26/1064695926.db2.gz HZVLZTIXPYLEGL-HXUWFJFHSA-N 1 1 477.028 3.354 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001298887417 1064696485 /nfs/dbraw/zinc/69/64/85/1064696485.db2.gz JMYIQORJJGGFEO-GOSISDBHSA-N 1 1 493.578 3.072 20 0 JGADMO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298889391 1064699332 /nfs/dbraw/zinc/69/93/32/1064699332.db2.gz RQNPFJZXIGFZLA-OAQYLSRUSA-N 1 1 495.640 3.281 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298889391 1064699341 /nfs/dbraw/zinc/69/93/41/1064699341.db2.gz RQNPFJZXIGFZLA-OAQYLSRUSA-N 1 1 495.640 3.281 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001298889475 1064699461 /nfs/dbraw/zinc/69/94/61/1064699461.db2.gz UFLLRERSQGBSEQ-SFHVURJKSA-N 1 1 494.562 3.107 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C ZINC001298890020 1064700270 /nfs/dbraw/zinc/70/02/70/1064700270.db2.gz YSMBHJSTDJHSAY-HZPDHXFCSA-N 1 1 458.573 3.201 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCC(F)(F)F)CC1 ZINC001298890041 1064700385 /nfs/dbraw/zinc/70/03/85/1064700385.db2.gz ZFPAVKGORWFBIZ-GOSISDBHSA-N 1 1 450.509 3.030 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001298917077 1064718261 /nfs/dbraw/zinc/71/82/61/1064718261.db2.gz TURVACCVPBRNBA-CRAIPNDOSA-N 1 1 475.435 3.153 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001298942374 1064734452 /nfs/dbraw/zinc/73/44/52/1064734452.db2.gz AULDVHYBQUKEJV-UHFFFAOYSA-N 1 1 466.655 3.219 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CC=CCC1 ZINC001298952540 1064744074 /nfs/dbraw/zinc/74/40/74/1064744074.db2.gz DSCPUJXPPQWMOE-TZIWHRDSSA-N 1 1 454.619 3.115 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001298964409 1064751579 /nfs/dbraw/zinc/75/15/79/1064751579.db2.gz BJJNAWFHVLRBCO-APWZRJJASA-N 1 1 475.037 3.442 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001298985742 1064770303 /nfs/dbraw/zinc/77/03/03/1064770303.db2.gz OFYMOYFVJFVOQA-VIZSFHNOSA-N 1 1 484.645 3.264 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001298986935 1064770942 /nfs/dbraw/zinc/77/09/42/1064770942.db2.gz YGYLWNMQKCBIFV-ANTGDGSKSA-N 1 1 474.675 3.135 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001298986936 1064770992 /nfs/dbraw/zinc/77/09/92/1064770992.db2.gz YGYLWNMQKCBIFV-HDAAZOAOSA-N 1 1 474.675 3.135 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001298992335 1064775849 /nfs/dbraw/zinc/77/58/49/1064775849.db2.gz LRYQCLMGXRLOAE-NHCUHLMSSA-N 1 1 482.673 3.098 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001298992335 1064775861 /nfs/dbraw/zinc/77/58/61/1064775861.db2.gz LRYQCLMGXRLOAE-NHCUHLMSSA-N 1 1 482.673 3.098 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299006878 1064789367 /nfs/dbraw/zinc/78/93/67/1064789367.db2.gz PAVONFHRYBOGML-DEOSSOPVSA-N 1 1 476.572 3.383 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299008482 1064793113 /nfs/dbraw/zinc/79/31/13/1064793113.db2.gz UIJHOACFZUXLKK-KOSHJBKYSA-N 1 1 460.598 3.250 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299015965 1064799600 /nfs/dbraw/zinc/79/96/00/1064799600.db2.gz LRMROPAASBCBMK-HHJKRLRDSA-N 1 1 453.635 3.059 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299028076 1064811640 /nfs/dbraw/zinc/81/16/40/1064811640.db2.gz LGHBBTBXZOJVQA-IPVFLDMMSA-N 1 1 452.647 3.146 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001299030852 1064817592 /nfs/dbraw/zinc/81/75/92/1064817592.db2.gz VOWNDHJWQAFANR-LVXARBLLSA-N 1 1 452.647 3.494 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299031837 1064818879 /nfs/dbraw/zinc/81/88/79/1064818879.db2.gz BPSJWMUZMKVKAX-XXAUWVGASA-N 1 1 482.673 3.496 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001299031934 1064819387 /nfs/dbraw/zinc/81/93/87/1064819387.db2.gz CJZFEQGRRKSGEH-SANMLTNESA-N 1 1 468.646 3.392 20 0 JGADMO O=C(N1CCC([N@H+]2CCCOCC2)CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001299033818 1064821993 /nfs/dbraw/zinc/82/19/93/1064821993.db2.gz YHLBSMQMXFKFRR-UHFFFAOYSA-N 1 1 451.405 3.211 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001299063631 1064859217 /nfs/dbraw/zinc/85/92/17/1064859217.db2.gz ALQVPAHKAWOFJD-RBUKOAKNSA-N 1 1 472.609 3.394 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001299068727 1064863661 /nfs/dbraw/zinc/86/36/61/1064863661.db2.gz QTGHZXRHROPXMB-CEXWTWQISA-N 1 1 458.582 3.004 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001299071899 1064871841 /nfs/dbraw/zinc/87/18/41/1064871841.db2.gz GXIXTKKLOHTCNF-HXUWFJFHSA-N 1 1 468.005 3.088 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001299072767 1064873892 /nfs/dbraw/zinc/87/38/92/1064873892.db2.gz KAFZKOKGLZMIIL-KBPBESRZSA-N 1 1 481.464 3.214 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299073358 1064875246 /nfs/dbraw/zinc/87/52/46/1064875246.db2.gz VBKZFPRTLSQKDC-NSHGMRRFSA-N 1 1 489.064 3.449 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)CCCOC)C1 ZINC001299073745 1064876604 /nfs/dbraw/zinc/87/66/04/1064876604.db2.gz NYOOTRLSKQCCJD-OAQYLSRUSA-N 1 1 470.662 3.173 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCn2cc[nH+]c2C)C1 ZINC001299074010 1064877159 /nfs/dbraw/zinc/87/71/59/1064877159.db2.gz JPSOAJQSKAHWDB-QGZVFWFLSA-N 1 1 486.418 3.265 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299082789 1064885885 /nfs/dbraw/zinc/88/58/85/1064885885.db2.gz RLVWJUGYYLBHHK-IFMALSPDSA-N 1 1 461.614 3.131 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299084570 1064888737 /nfs/dbraw/zinc/88/87/37/1064888737.db2.gz GRCQVOYGEFFKSC-GUDVDZBRSA-N 1 1 474.600 3.230 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299091656 1064897386 /nfs/dbraw/zinc/89/73/86/1064897386.db2.gz WQOFJPFYLHGOJV-REWPJTCUSA-N 1 1 452.647 3.494 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CCCCn2cc[nH+]c2C)C1 ZINC001299096043 1064901200 /nfs/dbraw/zinc/90/12/00/1064901200.db2.gz LAKCNDIHRGQZQE-OAQYLSRUSA-N 1 1 465.602 3.113 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2CCn2cc[nH+]c2C)C1 ZINC001299101445 1064908838 /nfs/dbraw/zinc/90/88/38/1064908838.db2.gz UBGXUKMOZZPYSM-IBGZPJMESA-N 1 1 453.616 3.046 20 0 JGADMO CNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299103476 1064914512 /nfs/dbraw/zinc/91/45/12/1064914512.db2.gz ZNRSLJKANBRQLV-UHFFFAOYSA-N 1 1 452.647 3.441 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCn2cc[nH+]c2C)CC1 ZINC001299108213 1064915229 /nfs/dbraw/zinc/91/52/29/1064915229.db2.gz AWOQTLOBSNDDPF-UHFFFAOYSA-N 1 1 471.993 3.165 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001299108739 1064916199 /nfs/dbraw/zinc/91/61/99/1064916199.db2.gz GGEJPVGLFUDCGC-HXUWFJFHSA-N 1 1 498.672 3.293 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001299110702 1064919786 /nfs/dbraw/zinc/91/97/86/1064919786.db2.gz SPLPARIZPNAFLH-OAQYLSRUSA-N 1 1 454.619 3.037 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001299120004 1064928997 /nfs/dbraw/zinc/92/89/97/1064928997.db2.gz NPQNMJFWTPWNCL-LJQANCHMSA-N 1 1 458.676 3.405 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001299121294 1064930909 /nfs/dbraw/zinc/93/09/09/1064930909.db2.gz DMNHVOWUZNSWRK-IBGZPJMESA-N 1 1 468.646 3.168 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001299121295 1064930932 /nfs/dbraw/zinc/93/09/32/1064930932.db2.gz DMNHVOWUZNSWRK-LJQANCHMSA-N 1 1 468.646 3.168 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001299122918 1064932076 /nfs/dbraw/zinc/93/20/76/1064932076.db2.gz KWUYFTDHBXPVKL-IBGZPJMESA-N 1 1 472.609 3.079 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001299124231 1064932218 /nfs/dbraw/zinc/93/22/18/1064932218.db2.gz PMZVUGJXMVJAGB-UHFFFAOYSA-N 1 1 468.646 3.392 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001299123571 1064932278 /nfs/dbraw/zinc/93/22/78/1064932278.db2.gz MGTIARMNOFJJPB-NRFANRHFSA-N 1 1 468.646 3.392 20 0 JGADMO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC001299130400 1064938824 /nfs/dbraw/zinc/93/88/24/1064938824.db2.gz JCNTWJHVHYOPQC-ZWKOTPCHSA-N 1 1 450.421 3.458 20 0 JGADMO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)C1 ZINC001299131793 1064939391 /nfs/dbraw/zinc/93/93/91/1064939391.db2.gz TVHNQVYKZYJZBA-HNNXBMFYSA-N 1 1 451.976 3.308 20 0 JGADMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)C1 ZINC001299131793 1064939409 /nfs/dbraw/zinc/93/94/09/1064939409.db2.gz TVHNQVYKZYJZBA-HNNXBMFYSA-N 1 1 451.976 3.308 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001299749389 1064948729 /nfs/dbraw/zinc/94/87/29/1064948729.db2.gz AJKHHEAHTXNTRF-UXHICEINSA-N 1 1 484.464 3.231 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001299762744 1064959825 /nfs/dbraw/zinc/95/98/25/1064959825.db2.gz OBWAOTPAMBMHHR-DEOSSOPVSA-N 1 1 463.573 3.265 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+](C)C(C)C)C1 ZINC001299766103 1064962815 /nfs/dbraw/zinc/96/28/15/1064962815.db2.gz VOGUJAXLUYKBRM-CJFMBICVSA-N 1 1 494.681 3.322 20 0 JGADMO COC1(Cn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCCCC1 ZINC001299814604 1065008951 /nfs/dbraw/zinc/00/89/51/1065008951.db2.gz HBDUTUAGHHMHCE-UHFFFAOYSA-N 1 1 470.662 3.408 20 0 JGADMO CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](CCCF)CC2)c1 ZINC001299827058 1065019892 /nfs/dbraw/zinc/01/98/92/1065019892.db2.gz IOSXFCPAKXGPTA-UHFFFAOYSA-N 1 1 453.967 3.283 20 0 JGADMO O=C(c1cc(I)ccc1N1CCCCC1)N1CC[NH+](CCCF)CC1 ZINC001299827990 1065020946 /nfs/dbraw/zinc/02/09/46/1065020946.db2.gz UHFHNRLVLXHGDK-UHFFFAOYSA-N 1 1 459.347 3.399 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299840460 1065034194 /nfs/dbraw/zinc/03/41/94/1065034194.db2.gz PZTMYVZHGXHILX-UXHICEINSA-N 1 1 485.629 3.484 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC001299842609 1065039386 /nfs/dbraw/zinc/03/93/86/1065039386.db2.gz APHLIRQWBARITP-ROUUACIJSA-N 1 1 491.658 3.023 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C4CC4)C3)n2CC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299843466 1065040780 /nfs/dbraw/zinc/04/07/80/1065040780.db2.gz JXAFOGBFVUTXNZ-HTAPYJJXSA-N 1 1 473.618 3.315 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299845020 1065044802 /nfs/dbraw/zinc/04/48/02/1065044802.db2.gz XIUMSYNHTGFAKK-SVFBPWRDSA-N 1 1 487.645 3.300 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)ccc1OC(C)C ZINC001299845591 1065045718 /nfs/dbraw/zinc/04/57/18/1065045718.db2.gz AEAIKCBBOYPBFJ-FPOVZHCZSA-N 1 1 484.645 3.173 20 0 JGADMO COc1cc(-c2nnc(N3CCC(C)(C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299847529 1065048682 /nfs/dbraw/zinc/04/86/82/1065048682.db2.gz XVPZYEIQLIRZIJ-FQEVSTJZSA-N 1 1 487.645 3.444 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC001299851192 1065056243 /nfs/dbraw/zinc/05/62/43/1065056243.db2.gz OWWWACUCODTCRU-LJQANCHMSA-N 1 1 486.661 3.233 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299851192 1065056259 /nfs/dbraw/zinc/05/62/59/1065056259.db2.gz OWWWACUCODTCRU-LJQANCHMSA-N 1 1 486.661 3.233 20 0 JGADMO COc1cc(-c2nnc(N3CCC[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299851192 1065056271 /nfs/dbraw/zinc/05/62/71/1065056271.db2.gz OWWWACUCODTCRU-LJQANCHMSA-N 1 1 486.661 3.233 20 0 JGADMO COc1cc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299853529 1065060462 /nfs/dbraw/zinc/06/04/62/1065060462.db2.gz SMKOQOXRFCOVQX-GOSISDBHSA-N 1 1 473.618 3.318 20 0 JGADMO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCO)c3cccc(OC(F)(F)F)c3)s2)CC1 ZINC001299854363 1065061704 /nfs/dbraw/zinc/06/17/04/1065061704.db2.gz BDIRMUXNJSIBGM-SFHVURJKSA-N 1 1 457.518 3.248 20 0 JGADMO COc1cc(-c2nnc(N3CCOCC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC001299860556 1065076348 /nfs/dbraw/zinc/07/63/48/1065076348.db2.gz UGFHRCDKZCTUCN-SFHVURJKSA-N 1 1 459.591 3.072 20 0 JGADMO COc1cc(-c2nnc(N3CCSC(C)(C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc(OC)c1OC ZINC001299861303 1065077329 /nfs/dbraw/zinc/07/73/29/1065077329.db2.gz CXDJVEBIYNVYAO-QGZVFWFLSA-N 1 1 491.658 3.023 20 0 JGADMO COc1cc(-c2nnc(N3CCSC(C)(C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc(OC)c1OC ZINC001299861303 1065077346 /nfs/dbraw/zinc/07/73/46/1065077346.db2.gz CXDJVEBIYNVYAO-QGZVFWFLSA-N 1 1 491.658 3.023 20 0 JGADMO COc1cc(CCn2c(C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)ccc1Cl ZINC001299865261 1065082886 /nfs/dbraw/zinc/08/28/86/1065082886.db2.gz DHDQEJUUQRNFDD-UHFFFAOYSA-N 1 1 461.054 3.486 20 0 JGADMO COc1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H]2C)ccc1SC ZINC001299870512 1065088449 /nfs/dbraw/zinc/08/84/49/1065088449.db2.gz ZMFLJBDRQVWSSB-SFHVURJKSA-N 1 1 472.659 3.365 20 0 JGADMO COc1cc(Cn2c(CC(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1C ZINC001299885947 1065109711 /nfs/dbraw/zinc/10/97/11/1065109711.db2.gz LSDLOPLKHJOREY-DEOSSOPVSA-N 1 1 484.689 3.073 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C)n3Cc3cc(C(C)(C)C)no3)CC2)cc(OC)c1 ZINC001299892475 1065121319 /nfs/dbraw/zinc/12/13/19/1065121319.db2.gz IRDDBIQZROLWGS-UHFFFAOYSA-N 1 1 454.575 3.260 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3ncccc3N(C)C)CC2)cc(OC)c1 ZINC001299892795 1065122070 /nfs/dbraw/zinc/12/20/70/1065122070.db2.gz MTLHAJHYFVISQL-UHFFFAOYSA-N 1 1 493.656 3.325 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[C@@H](O)C3)CC2)cc(OC)c1 ZINC001299893953 1065123921 /nfs/dbraw/zinc/12/39/21/1065123921.db2.gz ZCMFBGVFCLTUMF-IFMALSPDSA-N 1 1 471.646 3.367 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001299895048 1065125810 /nfs/dbraw/zinc/12/58/10/1065125810.db2.gz AWMNJJBYALPVMH-QGZVFWFLSA-N 1 1 494.036 3.163 20 0 JGADMO COc1cc(F)cc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001299920840 1065172863 /nfs/dbraw/zinc/17/28/63/1065172863.db2.gz VAYBDTPIQBIYCU-UHFFFAOYSA-N 1 1 468.577 3.007 20 0 JGADMO COc1cc(F)cc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001299920840 1065172868 /nfs/dbraw/zinc/17/28/68/1065172868.db2.gz VAYBDTPIQBIYCU-UHFFFAOYSA-N 1 1 468.577 3.007 20 0 JGADMO COc1cc(NC2CCN(c3nnc(CC(C)(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)cc(OC)c1 ZINC001299925791 1065185255 /nfs/dbraw/zinc/18/52/55/1065185255.db2.gz KGHAGCMPODJPHN-SANMLTNESA-N 1 1 486.661 3.031 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299928042 1065189762 /nfs/dbraw/zinc/18/97/62/1065189762.db2.gz LJSRMDJEVIMGRW-GOSISDBHSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299928042 1065189765 /nfs/dbraw/zinc/18/97/65/1065189765.db2.gz LJSRMDJEVIMGRW-GOSISDBHSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001299930638 1065193651 /nfs/dbraw/zinc/19/36/51/1065193651.db2.gz SPWQYUQCCQRAAZ-QFIPXVFZSA-N 1 1 486.642 3.412 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)Cc3cscn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001299930637 1065193676 /nfs/dbraw/zinc/19/36/76/1065193676.db2.gz SPWQYUQCCQRAAZ-JOCHJYFZSA-N 1 1 486.642 3.412 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@]2(C)CCCO2)c1 ZINC001299932890 1065199279 /nfs/dbraw/zinc/19/92/79/1065199279.db2.gz ZNPLVNHENWIIJM-VWLOTQADSA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@]2(C)CCCO2)c1 ZINC001299932890 1065199285 /nfs/dbraw/zinc/19/92/85/1065199285.db2.gz ZNPLVNHENWIIJM-VWLOTQADSA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001299936540 1065203670 /nfs/dbraw/zinc/20/36/70/1065203670.db2.gz OAMUDGJIIQQXHT-CTNGQTDRSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299936873 1065204468 /nfs/dbraw/zinc/20/44/68/1065204468.db2.gz CTIMMOMPLUVIRP-VQTJNVASSA-N 1 1 498.672 3.435 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001299937434 1065205231 /nfs/dbraw/zinc/20/52/31/1065205231.db2.gz UMFUGQYUZYIGSO-HDICACEKSA-N 1 1 461.632 3.015 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299937873 1065206092 /nfs/dbraw/zinc/20/60/92/1065206092.db2.gz HNICJVFJJRNHDP-LJQANCHMSA-N 1 1 484.645 3.176 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001299942460 1065211905 /nfs/dbraw/zinc/21/19/05/1065211905.db2.gz PSUSHFLIUCZADO-FQEVSTJZSA-N 1 1 498.628 3.328 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001299942499 1065212654 /nfs/dbraw/zinc/21/26/54/1065212654.db2.gz CVYTYCQLNKGRPL-FQEVSTJZSA-N 1 1 457.619 3.436 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCn2cc[nH+]c2C)c1 ZINC001299943190 1065213620 /nfs/dbraw/zinc/21/36/20/1065213620.db2.gz WYVZGMMLOKJIKX-HXUWFJFHSA-N 1 1 454.575 3.419 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299945870 1065219073 /nfs/dbraw/zinc/21/90/73/1065219073.db2.gz WGOIERYLWGYSPQ-FQEVSTJZSA-N 1 1 472.634 3.044 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CCCNC(C)=O)c1 ZINC001299949310 1065223167 /nfs/dbraw/zinc/22/31/67/1065223167.db2.gz BEUHZOZPHXKWHW-GOSISDBHSA-N 1 1 498.653 3.433 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299950297 1065225450 /nfs/dbraw/zinc/22/54/50/1065225450.db2.gz MIAYIEVBVGJHDY-NHCUHLMSSA-N 1 1 498.672 3.387 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001299952145 1065231054 /nfs/dbraw/zinc/23/10/54/1065231054.db2.gz MFDDPULSGRBAOY-PMACEKPBSA-N 1 1 484.645 3.140 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001299957107 1065235614 /nfs/dbraw/zinc/23/56/14/1065235614.db2.gz HWXJZPVDXSLOPO-UTKZUKDTSA-N 1 1 491.658 3.086 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001299957107 1065235622 /nfs/dbraw/zinc/23/56/22/1065235622.db2.gz HWXJZPVDXSLOPO-UTKZUKDTSA-N 1 1 491.658 3.086 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(-c3cccnc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001299957993 1065236833 /nfs/dbraw/zinc/23/68/33/1065236833.db2.gz NOHDPSZGSVDNAY-UHFFFAOYSA-N 1 1 465.602 3.151 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299957993 1065236848 /nfs/dbraw/zinc/23/68/48/1065236848.db2.gz NOHDPSZGSVDNAY-UHFFFAOYSA-N 1 1 465.602 3.151 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(-c3cccnc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001299957993 1065236860 /nfs/dbraw/zinc/23/68/60/1065236860.db2.gz NOHDPSZGSVDNAY-UHFFFAOYSA-N 1 1 465.602 3.151 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001299958548 1065237662 /nfs/dbraw/zinc/23/76/62/1065237662.db2.gz UXUBPMKALXNWJP-PMACEKPBSA-N 1 1 473.618 3.458 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001299959676 1065240535 /nfs/dbraw/zinc/24/05/35/1065240535.db2.gz YCRQVOKMLLGCJM-DNRQZRRGSA-N 1 1 473.618 3.048 20 0 JGADMO COc1cc2c(cc1Cn1c(C(C)C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC001299964054 1065246970 /nfs/dbraw/zinc/24/69/70/1065246970.db2.gz QGDWJURAFKEZRC-QRVBRYPASA-N 1 1 457.619 3.327 20 0 JGADMO COc1cc2c(cc1Cn1c(C(C)C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC001299964054 1065246981 /nfs/dbraw/zinc/24/69/81/1065246981.db2.gz QGDWJURAFKEZRC-QRVBRYPASA-N 1 1 457.619 3.327 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CCC(F)(F)F)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001299968696 1065252960 /nfs/dbraw/zinc/25/29/60/1065252960.db2.gz KCPKZPCTCFKRCX-SFHVURJKSA-N 1 1 492.340 3.171 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC=CCC3)n2CCC[NH+]2CCOCC2)c1 ZINC001299970533 1065258742 /nfs/dbraw/zinc/25/87/42/1065258742.db2.gz QLAWTDOISWCHQT-UHFFFAOYSA-N 1 1 462.392 3.205 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCc2nc(C)no2)CC1 ZINC001299990917 1065295218 /nfs/dbraw/zinc/29/52/18/1065295218.db2.gz PMIAACHVGOQRAB-UHFFFAOYSA-N 1 1 453.591 3.365 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCNC(=O)C(C)(C)C)CC1 ZINC001299991250 1065296023 /nfs/dbraw/zinc/29/60/23/1065296023.db2.gz VMDMTRYBMQKYBP-UHFFFAOYSA-N 1 1 470.662 3.278 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC001299996682 1065305760 /nfs/dbraw/zinc/30/57/60/1065305760.db2.gz MCJAGJFFZRIGRB-OAQYLSRUSA-N 1 1 486.661 3.434 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001299996901 1065307112 /nfs/dbraw/zinc/30/71/12/1065307112.db2.gz RQRVMBFQQBOTSP-IBGZPJMESA-N 1 1 486.661 3.434 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001299997396 1065307643 /nfs/dbraw/zinc/30/76/43/1065307643.db2.gz VTKWJVZESGXFDU-NVXWUHKLSA-N 1 1 464.408 3.426 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC[C@H]2CCOC2)cc1 ZINC001299997681 1065308136 /nfs/dbraw/zinc/30/81/36/1065308136.db2.gz MIYBYPVNYNKVCY-FQEVSTJZSA-N 1 1 457.619 3.175 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2C[C@@H]2C)c(OC)c1 ZINC001299997461 1065308410 /nfs/dbraw/zinc/30/84/10/1065308410.db2.gz JPRCLUYPFLZOPR-RBUKOAKNSA-N 1 1 457.619 3.413 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3nccs3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492238214 1065322927 /nfs/dbraw/zinc/32/29/27/1065322927.db2.gz MLVHKWALJWLFBI-KRWDZBQOSA-N 1 1 483.642 3.208 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc(CC3CC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492217934 1065327691 /nfs/dbraw/zinc/32/76/91/1065327691.db2.gz USKSPMIPIOYTIP-JOCHJYFZSA-N 1 1 456.610 3.257 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(C)ccc3F)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001492218263 1065328475 /nfs/dbraw/zinc/32/84/75/1065328475.db2.gz YBLWETUEYWPQSJ-LJQANCHMSA-N 1 1 469.609 3.192 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001492234301 1065334955 /nfs/dbraw/zinc/33/49/55/1065334955.db2.gz BPYVPFJPVJFABM-GHTZIAJQSA-N 1 1 483.661 3.228 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001492240002 1065337356 /nfs/dbraw/zinc/33/73/56/1065337356.db2.gz AXDPTIDQIUJOIV-HXUWFJFHSA-N 1 1 451.575 3.215 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCSC(C)C)cc1C ZINC001492244343 1065342947 /nfs/dbraw/zinc/34/29/47/1065342947.db2.gz PBULPLREJZLPFM-IRLDBZIGSA-N 1 1 486.686 3.446 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CCC[NH+]2CCOCC2)cc1C ZINC001492244203 1065342969 /nfs/dbraw/zinc/34/29/69/1065342969.db2.gz OJLBMQPURDBFKE-OALUTQOASA-N 1 1 454.619 3.352 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001492250367 1065349803 /nfs/dbraw/zinc/34/98/03/1065349803.db2.gz MFWUYYMSQIUDPX-GHTZIAJQSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492265711 1065358177 /nfs/dbraw/zinc/35/81/77/1065358177.db2.gz DFNBKPULGWVKJE-XMMPIXPASA-N 1 1 497.688 3.179 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CCCCO2)cc1C ZINC001492266528 1065362202 /nfs/dbraw/zinc/36/22/02/1065362202.db2.gz NXQDYBCULRRQRE-HSZRJFAPSA-N 1 1 484.645 3.263 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492273771 1065367420 /nfs/dbraw/zinc/36/74/20/1065367420.db2.gz MBRCHVBHGZFYBL-OAQYLSRUSA-N 1 1 497.688 3.177 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)C2)nc1 ZINC001492277181 1065371724 /nfs/dbraw/zinc/37/17/24/1065371724.db2.gz VDPPJVKJIYAXHU-FCHUYYIVSA-N 1 1 497.688 3.491 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC001492277424 1065372065 /nfs/dbraw/zinc/37/20/65/1065372065.db2.gz WKFWTXBDYNCSCS-SZPZYZBQSA-N 1 1 497.688 3.034 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492286970 1065379093 /nfs/dbraw/zinc/37/90/93/1065379093.db2.gz KHTMGCVYGHWREJ-XMMPIXPASA-N 1 1 491.640 3.004 20 0 JGADMO Cc1ccc(O[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001492287068 1065380010 /nfs/dbraw/zinc/38/00/10/1065380010.db2.gz AJBOBYLQSDGYDR-QFIPXVFZSA-N 1 1 498.672 3.085 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001492310018 1065389260 /nfs/dbraw/zinc/38/92/60/1065389260.db2.gz BJQXIIJOSSWNLW-RBBKRZOGSA-N 1 1 489.686 3.360 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001492310018 1065389270 /nfs/dbraw/zinc/38/92/70/1065389270.db2.gz BJQXIIJOSSWNLW-RBBKRZOGSA-N 1 1 489.686 3.360 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CC(F)(F)CO2)cc1 ZINC001492319540 1065394568 /nfs/dbraw/zinc/39/45/68/1065394568.db2.gz CPVHYYUAEDLDGF-NRFANRHFSA-N 1 1 493.599 3.384 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC001492319554 1065394811 /nfs/dbraw/zinc/39/48/11/1065394811.db2.gz DCQCJMNJXGYTHZ-DEOSSOPVSA-N 1 1 481.645 3.201 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+]2CCc3sccc3C2)cc1 ZINC001492320644 1065395244 /nfs/dbraw/zinc/39/52/44/1065395244.db2.gz PDSAGHREOHNXAN-UHFFFAOYSA-N 1 1 482.654 3.246 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CC[N@H+]2CCc3sccc3C2)cc1 ZINC001492320644 1065395256 /nfs/dbraw/zinc/39/52/56/1065395256.db2.gz PDSAGHREOHNXAN-UHFFFAOYSA-N 1 1 482.654 3.246 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCC2(O)CCC2)cc1C ZINC001492331537 1065401604 /nfs/dbraw/zinc/40/16/04/1065401604.db2.gz ZGUODXKQBJIKCR-UHFFFAOYSA-N 1 1 471.646 3.326 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCC2(O)CCC2)cc1C ZINC001492331537 1065401615 /nfs/dbraw/zinc/40/16/15/1065401615.db2.gz ZGUODXKQBJIKCR-UHFFFAOYSA-N 1 1 471.646 3.326 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492391014 1065414070 /nfs/dbraw/zinc/41/40/70/1065414070.db2.gz JNLPAPZEPNACIN-FQEVSTJZSA-N 1 1 470.618 3.365 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(Cn4cncn4)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001492353691 1065416285 /nfs/dbraw/zinc/41/62/85/1065416285.db2.gz IPPRZKWTDPMZQF-UHFFFAOYSA-N 1 1 452.607 3.014 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001492391043 1065418736 /nfs/dbraw/zinc/41/87/36/1065418736.db2.gz KNCNTQPZVSBLQS-UHFFFAOYSA-N 1 1 482.654 3.321 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)n2CC(C)C)cc1C ZINC001492391042 1065418939 /nfs/dbraw/zinc/41/89/39/1065418939.db2.gz KJRRDKHUXHAVPH-VWLOTQADSA-N 1 1 484.689 3.361 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CC(=O)N(C)C)cc1 ZINC001492369723 1065430396 /nfs/dbraw/zinc/43/03/96/1065430396.db2.gz APEXNZRCZBVSTR-FGZHOGPDSA-N 1 1 468.646 3.345 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[NH+]2CCOCC2)cc1 ZINC001492370333 1065432840 /nfs/dbraw/zinc/43/28/40/1065432840.db2.gz IDQXYHPVEBLCRW-OAQYLSRUSA-N 1 1 497.562 3.436 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC(=O)N(C)C)cc1C ZINC001492378262 1065443054 /nfs/dbraw/zinc/44/30/54/1065443054.db2.gz KVMQWLHQBRRAMK-UHFFFAOYSA-N 1 1 456.635 3.263 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001492383977 1065449531 /nfs/dbraw/zinc/44/95/31/1065449531.db2.gz DFFSCYHGFRFGDF-QFIPXVFZSA-N 1 1 466.630 3.121 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+](C)C(C)C)cc1 ZINC001492385249 1065452260 /nfs/dbraw/zinc/45/22/60/1065452260.db2.gz PAZZNOYNSUADGN-NRFANRHFSA-N 1 1 456.635 3.199 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001492391970 1065463512 /nfs/dbraw/zinc/46/35/12/1065463512.db2.gz VOWPQPNAKQTWEA-IBGZPJMESA-N 1 1 468.646 3.311 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492347916 1065463529 /nfs/dbraw/zinc/46/35/29/1065463529.db2.gz YUUZNMMGRHJGSQ-IBGZPJMESA-N 1 1 496.578 3.319 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001492393365 1065466120 /nfs/dbraw/zinc/46/61/20/1065466120.db2.gz LOEJVYFYLWVSNM-ZEQRLZLVSA-N 1 1 471.646 3.384 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492393822 1065466147 /nfs/dbraw/zinc/46/61/47/1065466147.db2.gz MTOZMQBLXPNOPS-SANMLTNESA-N 1 1 481.645 3.300 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492396085 1065467843 /nfs/dbraw/zinc/46/78/43/1065467843.db2.gz XQYUGPPMWBQTEU-HSZRJFAPSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492396085 1065467847 /nfs/dbraw/zinc/46/78/47/1065467847.db2.gz XQYUGPPMWBQTEU-HSZRJFAPSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492401991 1065471687 /nfs/dbraw/zinc/47/16/87/1065471687.db2.gz QHZFOXDUXCBIBJ-ZJSXRUAMSA-N 1 1 459.660 3.118 20 0 JGADMO Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC001492407068 1065473528 /nfs/dbraw/zinc/47/35/28/1065473528.db2.gz BIUNZPIBUIAJOR-QFIPXVFZSA-N 1 1 498.672 3.273 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001492407571 1065474144 /nfs/dbraw/zinc/47/41/44/1065474144.db2.gz HVBPGJJOZNHCAP-FDFHNCONSA-N 1 1 457.619 3.280 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001492418165 1065478907 /nfs/dbraw/zinc/47/89/07/1065478907.db2.gz DXWRCWHYFKNDKJ-NRFANRHFSA-N 1 1 466.586 3.234 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001492421470 1065482213 /nfs/dbraw/zinc/48/22/13/1065482213.db2.gz PODDQYHLLYZNTM-UNMCSNQZSA-N 1 1 454.619 3.317 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492449098 1065502311 /nfs/dbraw/zinc/50/23/11/1065502311.db2.gz PNKRSWHVSZKVLL-OAQYLSRUSA-N 1 1 451.587 3.427 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001492462239 1065510876 /nfs/dbraw/zinc/51/08/76/1065510876.db2.gz NHYPGLDPJRAZHG-XMSQKQJNSA-N 1 1 499.603 3.493 20 0 JGADMO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)c1 ZINC001492470979 1065521121 /nfs/dbraw/zinc/52/11/21/1065521121.db2.gz DWGANABNMORNDL-UHFFFAOYSA-N 1 1 482.673 3.347 20 0 JGADMO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)c1 ZINC001492470979 1065521131 /nfs/dbraw/zinc/52/11/31/1065521131.db2.gz DWGANABNMORNDL-UHFFFAOYSA-N 1 1 482.673 3.347 20 0 JGADMO Cc1cccc(C(=O)N2CCCN(c3nnc(-c4cccn4C)n3CC[N@H+](C)C(C)C)CC2)c1 ZINC001492471583 1065522123 /nfs/dbraw/zinc/52/21/23/1065522123.db2.gz PIQQCIYGFHTQHZ-UHFFFAOYSA-N 1 1 463.630 3.285 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001300800387 1065532753 /nfs/dbraw/zinc/53/27/53/1065532753.db2.gz ZYDVBKLDTBEYAG-NNMXDRDESA-N 1 1 461.582 3.141 20 0 JGADMO CO[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC[C@H]1C ZINC001300826022 1065555001 /nfs/dbraw/zinc/55/50/01/1065555001.db2.gz LITMHSGAXZGCQN-WTIAFYNJSA-N 1 1 459.610 3.226 20 0 JGADMO CO[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1(C)C ZINC001300835272 1065571012 /nfs/dbraw/zinc/57/10/12/1065571012.db2.gz RCDAKZOMXXELRG-ZVDOUQERSA-N 1 1 456.635 3.013 20 0 JGADMO CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001300845702 1065587881 /nfs/dbraw/zinc/58/78/81/1065587881.db2.gz VMWZVYGHSNZNKS-MJGOQNOKSA-N 1 1 460.648 3.005 20 0 JGADMO CO[C@@H]1COCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300868991 1065635850 /nfs/dbraw/zinc/63/58/50/1065635850.db2.gz GGTNHALDQXBICK-FYYLOGMGSA-N 1 1 457.619 3.138 20 0 JGADMO CO[C@@H]1COCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300868994 1065636706 /nfs/dbraw/zinc/63/67/06/1065636706.db2.gz GGTNHALDQXBICK-JTHBVZDNSA-N 1 1 457.619 3.138 20 0 JGADMO CC(C)CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(Cl)cc1Cl ZINC001300873270 1065649250 /nfs/dbraw/zinc/64/92/50/1065649250.db2.gz KSPJAGBPVLYEHO-CQSZACIVSA-N 1 1 450.432 3.389 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001300905011 1065705396 /nfs/dbraw/zinc/70/53/96/1065705396.db2.gz ZRKKCKHUCDDNCF-IBGZPJMESA-N 1 1 480.613 3.098 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001300908432 1065707241 /nfs/dbraw/zinc/70/72/41/1065707241.db2.gz ZNTULHBWBAAOPK-IBGZPJMESA-N 1 1 460.667 3.178 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001300910266 1065707977 /nfs/dbraw/zinc/70/79/77/1065707977.db2.gz FBVLSBCRVZCFDC-QFIPXVFZSA-N 1 1 474.694 3.395 20 0 JGADMO COCC(C)(C)CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001300927200 1065725915 /nfs/dbraw/zinc/72/59/15/1065725915.db2.gz SDPWVFZOXDTCKP-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC(C)(C)CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001300927200 1065725930 /nfs/dbraw/zinc/72/59/30/1065725930.db2.gz SDPWVFZOXDTCKP-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001300931582 1065731685 /nfs/dbraw/zinc/73/16/85/1065731685.db2.gz OAQXNKHAGACZIV-UHFFFAOYSA-N 1 1 472.609 3.038 20 0 JGADMO COCC(C)(C)CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001300932347 1065732746 /nfs/dbraw/zinc/73/27/46/1065732746.db2.gz SSYLDXIULSXSMU-JOCHJYFZSA-N 1 1 473.666 3.255 20 0 JGADMO COCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300934101 1065734596 /nfs/dbraw/zinc/73/45/96/1065734596.db2.gz HLWDGXAUYCLTFZ-FXAWDEMLSA-N 1 1 478.037 3.437 20 0 JGADMO COCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001300943153 1065745654 /nfs/dbraw/zinc/74/56/54/1065745654.db2.gz SLTUFKFAYQAPBO-RBBKRZOGSA-N 1 1 495.734 3.334 20 0 JGADMO COC[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001300955865 1065760333 /nfs/dbraw/zinc/76/03/33/1065760333.db2.gz GRUICKZCNCMFCH-HLLBOEOZSA-N 1 1 451.413 3.002 20 0 JGADMO COC[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001300958465 1065765808 /nfs/dbraw/zinc/76/58/08/1065765808.db2.gz WHLZXOYTPXLCTF-HLIPFELVSA-N 1 1 478.435 3.147 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001300963863 1065771879 /nfs/dbraw/zinc/77/18/79/1065771879.db2.gz CCOPLHKSSMJQRJ-GQIGUUNPSA-N 1 1 451.974 3.177 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001300963915 1065772386 /nfs/dbraw/zinc/77/23/86/1065772386.db2.gz CLTKLLQILYNTEV-LJQANCHMSA-N 1 1 476.069 3.271 20 0 JGADMO COC[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300976736 1065786744 /nfs/dbraw/zinc/78/67/44/1065786744.db2.gz UXHLWKMNEFNEJC-QRVBRYPASA-N 1 1 450.027 3.350 20 0 JGADMO COC[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300976736 1065786760 /nfs/dbraw/zinc/78/67/60/1065786760.db2.gz UXHLWKMNEFNEJC-QRVBRYPASA-N 1 1 450.027 3.350 20 0 JGADMO COC[C@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001300988075 1065801428 /nfs/dbraw/zinc/80/14/28/1065801428.db2.gz RMWXVHZYUJUEMC-DVECYGJZSA-N 1 1 475.659 3.163 20 0 JGADMO COC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)OC ZINC001301002621 1065829487 /nfs/dbraw/zinc/82/94/87/1065829487.db2.gz HCMWLPPOYHJGDL-ZNMIVQPWSA-N 1 1 470.437 3.103 20 0 JGADMO COC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)OC ZINC001301034296 1065875898 /nfs/dbraw/zinc/87/58/98/1065875898.db2.gz NHDOIJKFNNUXCZ-UNMCSNQZSA-N 1 1 489.686 3.230 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001301045817 1065891941 /nfs/dbraw/zinc/89/19/41/1065891941.db2.gz SQCGVMAXUUURCE-IBGZPJMESA-N 1 1 498.441 3.487 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301048180 1065895463 /nfs/dbraw/zinc/89/54/63/1065895463.db2.gz LHNAZZWHXZJDMV-FUHWJXTLSA-N 1 1 482.000 3.281 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001301056766 1065908107 /nfs/dbraw/zinc/90/81/07/1065908107.db2.gz OFCDEDDUHGHQJJ-NRFANRHFSA-N 1 1 453.566 3.068 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301056988 1065908772 /nfs/dbraw/zinc/90/87/72/1065908772.db2.gz PVLKNZXOPIDNFP-IBGZPJMESA-N 1 1 472.565 3.132 20 0 JGADMO COC[C@@H](F)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301056988 1065908779 /nfs/dbraw/zinc/90/87/79/1065908779.db2.gz PVLKNZXOPIDNFP-IBGZPJMESA-N 1 1 472.565 3.132 20 0 JGADMO COCC1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301078775 1065929157 /nfs/dbraw/zinc/92/91/57/1065929157.db2.gz YIMMVGWGLFSGSM-WOJBJXKFSA-N 1 1 469.634 3.299 20 0 JGADMO COC[C@@H](F)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001301080731 1065930556 /nfs/dbraw/zinc/93/05/56/1065930556.db2.gz AQGGUBUMARJUJI-IBGZPJMESA-N 1 1 463.554 3.364 20 0 JGADMO COC[C@H](F)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301082483 1065932282 /nfs/dbraw/zinc/93/22/82/1065932282.db2.gz ISPTUJNJKWMGPO-SFHLNBCPSA-N 1 1 463.623 3.020 20 0 JGADMO COCC1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001301089845 1065939438 /nfs/dbraw/zinc/93/94/38/1065939438.db2.gz CVSUGHTZNZCXMP-UHFFFAOYSA-N 1 1 484.689 3.480 20 0 JGADMO COCc1cc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)ccc1F ZINC001301152028 1065987874 /nfs/dbraw/zinc/98/78/74/1065987874.db2.gz DZQAGJLENHRMQE-UHFFFAOYSA-N 1 1 455.582 3.323 20 0 JGADMO COCC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301184912 1066014758 /nfs/dbraw/zinc/01/47/58/1066014758.db2.gz XESXJLMNENTQTD-LJQANCHMSA-N 1 1 493.450 3.175 20 0 JGADMO COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301185749 1066015782 /nfs/dbraw/zinc/01/57/82/1066015782.db2.gz SPQLUOLKBAPHRP-QFIPXVFZSA-N 1 1 487.670 3.252 20 0 JGADMO COCC1=CCN(c2nnc(-c3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001301187983 1066017469 /nfs/dbraw/zinc/01/74/69/1066017469.db2.gz IJTPLAZFVILOTN-UHFFFAOYSA-N 1 1 452.647 3.310 20 0 JGADMO COCC1=CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001301194459 1066021318 /nfs/dbraw/zinc/02/13/18/1066021318.db2.gz NSXYJAFQSUJQGN-HXUWFJFHSA-N 1 1 457.594 3.292 20 0 JGADMO COCc1nc(Cn2c(-c3ccccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001301205967 1066029949 /nfs/dbraw/zinc/02/99/49/1066029949.db2.gz AJXGIUCXXMJJIG-CALCHBBNSA-N 1 1 474.606 3.281 20 0 JGADMO COCc1nc(Cn2c(-c3ccccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001301205967 1066029961 /nfs/dbraw/zinc/02/99/61/1066029961.db2.gz AJXGIUCXXMJJIG-CALCHBBNSA-N 1 1 474.606 3.281 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001301228682 1066047792 /nfs/dbraw/zinc/04/77/92/1066047792.db2.gz USBYJNPCIPHBLI-RTWAWAEBSA-N 1 1 468.646 3.116 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001301228681 1066047831 /nfs/dbraw/zinc/04/78/31/1066047831.db2.gz USBYJNPCIPHBLI-NHCUHLMSSA-N 1 1 468.646 3.116 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301244385 1066060815 /nfs/dbraw/zinc/06/08/15/1066060815.db2.gz KDOUIYRYEMFSBM-CIAFKFPVSA-N 1 1 495.734 3.190 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(C3CCCC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301247208 1066063842 /nfs/dbraw/zinc/06/38/42/1066063842.db2.gz ZHXCVOWDBVKCQE-RBBKRZOGSA-N 1 1 460.667 3.131 20 0 JGADMO COC[C@@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2CCCCn2cc[nH+]c2C)C1 ZINC001301248079 1066065160 /nfs/dbraw/zinc/06/51/60/1066065160.db2.gz DCJGGRJUSKSEPI-JOCHJYFZSA-N 1 1 454.623 3.378 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(CCc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301249949 1066067247 /nfs/dbraw/zinc/06/72/47/1066067247.db2.gz PPOIJRZAHNIRAA-DEOSSOPVSA-N 1 1 468.690 3.342 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301249949 1066067256 /nfs/dbraw/zinc/06/72/56/1066067256.db2.gz PPOIJRZAHNIRAA-DEOSSOPVSA-N 1 1 468.690 3.342 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301249949 1066067267 /nfs/dbraw/zinc/06/72/67/1066067267.db2.gz PPOIJRZAHNIRAA-DEOSSOPVSA-N 1 1 468.690 3.342 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301260765 1066075492 /nfs/dbraw/zinc/07/54/92/1066075492.db2.gz GAYSKLKYDYBCKI-ROUUACIJSA-N 1 1 478.435 3.291 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001301260965 1066075746 /nfs/dbraw/zinc/07/57/46/1066075746.db2.gz HSJQAECVVXHTBG-DLBZAZTESA-N 1 1 465.440 3.393 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301265154 1066081124 /nfs/dbraw/zinc/08/11/24/1066081124.db2.gz JOLUMDJOYUYPEH-SIKLNZKXSA-N 1 1 489.686 3.332 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001301282484 1066090697 /nfs/dbraw/zinc/09/06/97/1066090697.db2.gz MFVJUQPCKBHQRB-DHIUTWEWSA-N 1 1 457.667 3.371 20 0 JGADMO COCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301287175 1066095106 /nfs/dbraw/zinc/09/51/06/1066095106.db2.gz QVBDBABIETXTBB-XMMPIXPASA-N 1 1 498.672 3.367 20 0 JGADMO COCC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301293249 1066097884 /nfs/dbraw/zinc/09/78/84/1066097884.db2.gz GECOVLIBJXYDFR-UHFFFAOYSA-N 1 1 471.602 3.096 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001301297817 1066104128 /nfs/dbraw/zinc/10/41/28/1066104128.db2.gz GCNWVDNPGIUMEE-LEWJYISDSA-N 1 1 489.686 3.476 20 0 JGADMO COCC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301328374 1066121572 /nfs/dbraw/zinc/12/15/72/1066121572.db2.gz FSVNYIHPJIXDAP-QHCPKHFHSA-N 1 1 471.646 3.097 20 0 JGADMO COCC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001301336137 1066126373 /nfs/dbraw/zinc/12/63/73/1066126373.db2.gz USDLUCLZOMLYHL-XMMPIXPASA-N 1 1 455.647 3.283 20 0 JGADMO COC[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301341721 1066131692 /nfs/dbraw/zinc/13/16/92/1066131692.db2.gz JZTIUYBTTIXNQB-BDTNDASRSA-N 1 1 457.619 3.138 20 0 JGADMO COC[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001301343881 1066135063 /nfs/dbraw/zinc/13/50/63/1066135063.db2.gz VNIPCQPMANUGFH-QGZVFWFLSA-N 1 1 484.428 3.359 20 0 JGADMO COC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001301345105 1066136657 /nfs/dbraw/zinc/13/66/57/1066136657.db2.gz FIUDSTJJSOCYJK-YADHBBJMSA-N 1 1 484.645 3.119 20 0 JGADMO COC[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001301345519 1066137043 /nfs/dbraw/zinc/13/70/43/1066137043.db2.gz YBADIPYIEGSCMR-AQNXPRMDSA-N 1 1 476.666 3.396 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001301367740 1066161471 /nfs/dbraw/zinc/16/14/71/1066161471.db2.gz GBSMSOMCRZVOGM-GNBUJSLZSA-N 1 1 493.052 3.121 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@H](C)O1 ZINC001301369946 1066164382 /nfs/dbraw/zinc/16/43/82/1066164382.db2.gz VIMSGOBKUSQZMO-SXLOBPIMSA-N 1 1 496.027 3.215 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@@H](C)O1 ZINC001301369939 1066164414 /nfs/dbraw/zinc/16/44/14/1066164414.db2.gz VIMSGOBKUSQZMO-HOJAQTOUSA-N 1 1 496.027 3.215 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001301372470 1066166625 /nfs/dbraw/zinc/16/66/25/1066166625.db2.gz AKPBRAIDVDDLTK-REWPJTCUSA-N 1 1 464.614 3.469 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@H]2C)C[C@@H](C)O1 ZINC001301373943 1066167755 /nfs/dbraw/zinc/16/77/55/1066167755.db2.gz HMYINVAXJOAZIZ-KURKYZTESA-N 1 1 478.435 3.432 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301378308 1066171591 /nfs/dbraw/zinc/17/15/91/1066171591.db2.gz TUWMBFMLNOIAIZ-HYBUGGRVSA-N 1 1 464.614 3.469 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001301378309 1066171621 /nfs/dbraw/zinc/17/16/21/1066171621.db2.gz TUWMBFMLNOIAIZ-RDPSFJRHSA-N 1 1 464.614 3.469 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001301396558 1066177713 /nfs/dbraw/zinc/17/77/13/1066177713.db2.gz LJWIEIXUOPVUEZ-RBBKRZOGSA-N 1 1 471.646 3.240 20 0 JGADMO COC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+](C)C2CCCC2)CCO1 ZINC001301406029 1066188138 /nfs/dbraw/zinc/18/81/38/1066188138.db2.gz KQESJSBVNBWRLO-HSZRJFAPSA-N 1 1 457.619 3.200 20 0 JGADMO COC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301410056 1066196426 /nfs/dbraw/zinc/19/64/26/1066196426.db2.gz PKZDXZTWVXFKBN-NQIIRXRSSA-N 1 1 464.010 3.094 20 0 JGADMO COCCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001301416267 1066207316 /nfs/dbraw/zinc/20/73/16/1066207316.db2.gz VXGCVDISISNMNJ-QFIPXVFZSA-N 1 1 468.646 3.288 20 0 JGADMO COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001301422001 1066215313 /nfs/dbraw/zinc/21/53/13/1066215313.db2.gz VNZVBDCOIURHHL-QGZVFWFLSA-N 1 1 451.974 3.321 20 0 JGADMO COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001301422001 1066215328 /nfs/dbraw/zinc/21/53/28/1066215328.db2.gz VNZVBDCOIURHHL-QGZVFWFLSA-N 1 1 451.974 3.321 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301945050 1066229926 /nfs/dbraw/zinc/22/99/26/1066229926.db2.gz VKIOAXOCSLAEPL-NMVJMZGASA-N 1 1 496.700 3.277 20 0 JGADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C(C)(C)C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001301948161 1066240943 /nfs/dbraw/zinc/24/09/43/1066240943.db2.gz FAISOHOFCGPRHH-IBGZPJMESA-N 1 1 476.691 3.281 20 0 JGADMO COCC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301439003 1066242766 /nfs/dbraw/zinc/24/27/66/1066242766.db2.gz CSKDMSXLVVMNSN-WVBUVRCRSA-N 1 1 478.435 3.168 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301950444 1066246850 /nfs/dbraw/zinc/24/68/50/1066246850.db2.gz FLGXHQUYERPSMX-LJQANCHMSA-N 1 1 489.064 3.309 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001301954790 1066258382 /nfs/dbraw/zinc/25/83/82/1066258382.db2.gz RCLKKGSFLLLTNP-QHCPKHFHSA-N 1 1 474.694 3.253 20 0 JGADMO COCC[C@](C)(O)Cn1c(N2CCC[N@H+](C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001301463685 1066287122 /nfs/dbraw/zinc/28/71/22/1066287122.db2.gz QSOIWAMRJYSKMN-VWLOTQADSA-N 1 1 455.647 3.456 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001301985000 1066295693 /nfs/dbraw/zinc/29/56/93/1066295693.db2.gz RCXBPOCMFJOXOC-VJFDXUIRSA-N 1 1 493.693 3.000 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccc(Cl)cc1 ZINC001301986432 1066299699 /nfs/dbraw/zinc/29/96/99/1066299699.db2.gz XBWDFXDBSNYHDY-NNMXDRDESA-N 1 1 478.037 3.055 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001301987502 1066302372 /nfs/dbraw/zinc/30/23/72/1066302372.db2.gz IBLXAEJWPQSMSY-VYDXJSESSA-N 1 1 478.022 3.025 20 0 JGADMO COCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CCCC1 ZINC001301481661 1066302848 /nfs/dbraw/zinc/30/28/48/1066302848.db2.gz CJUHKKASMPCOQI-QFIPXVFZSA-N 1 1 495.734 3.334 20 0 JGADMO COCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CCCC1 ZINC001301481659 1066302977 /nfs/dbraw/zinc/30/29/77/1066302977.db2.gz CJUHKKASMPCOQI-JOCHJYFZSA-N 1 1 495.734 3.334 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001301989294 1066306889 /nfs/dbraw/zinc/30/68/89/1066306889.db2.gz KBFUFRCKAMTYRC-FGTMMUONSA-N 1 1 472.565 3.297 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001301991553 1066311905 /nfs/dbraw/zinc/31/19/05/1066311905.db2.gz OABZKBCUVMVOBG-DYXWJJEUSA-N 1 1 469.696 3.432 20 0 JGADMO COCCc1noc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001301496291 1066321868 /nfs/dbraw/zinc/32/18/68/1066321868.db2.gz MAGIYYHDUINFLQ-SFHVURJKSA-N 1 1 468.606 3.059 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301504387 1066331014 /nfs/dbraw/zinc/33/10/14/1066331014.db2.gz AOSHMFKXFBDNOA-QZTJIDSGSA-N 1 1 465.545 3.130 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301508281 1066337200 /nfs/dbraw/zinc/33/72/00/1066337200.db2.gz ZTMAIZGUSJJOKB-HBMCJLEFSA-N 1 1 457.619 3.316 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001301508223 1066337457 /nfs/dbraw/zinc/33/74/57/1066337457.db2.gz YSARCEOITVDQCP-PKOBYXMFSA-N 1 1 466.001 3.447 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301512702 1066340713 /nfs/dbraw/zinc/34/07/13/1066340713.db2.gz UPVPJIYKIIQUHT-RTWAWAEBSA-N 1 1 457.619 3.317 20 0 JGADMO COCC[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301512701 1066340822 /nfs/dbraw/zinc/34/08/22/1066340822.db2.gz UPVPJIYKIIQUHT-NHCUHLMSSA-N 1 1 457.619 3.317 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001302012934 1066357863 /nfs/dbraw/zinc/35/78/63/1066357863.db2.gz LSBTUPIFGDZJNH-QHAWAJNXSA-N 1 1 457.619 3.117 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC(c3nc(C)no3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302014465 1066360635 /nfs/dbraw/zinc/36/06/35/1066360635.db2.gz LHZRZIQDXPGOMT-FXAWDEMLSA-N 1 1 475.638 3.198 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1cccc(C(F)F)c1 ZINC001302015565 1066363168 /nfs/dbraw/zinc/36/31/68/1066363168.db2.gz UPYBWUFHRYXLNG-HOYKHHGWSA-N 1 1 479.572 3.289 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(Cl)cc1F ZINC001302015842 1066363828 /nfs/dbraw/zinc/36/38/28/1066363828.db2.gz VTBWAWAFOLTVMF-UZUQRXQVSA-N 1 1 482.000 3.144 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302017234 1066367020 /nfs/dbraw/zinc/36/70/20/1066367020.db2.gz SCNYDQJNRWBCKQ-DHIUTWEWSA-N 1 1 484.689 3.330 20 0 JGADMO COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC001301546942 1066376346 /nfs/dbraw/zinc/37/63/46/1066376346.db2.gz KTUHOLPRBOHKGY-FCHUYYIVSA-N 1 1 457.596 3.407 20 0 JGADMO COCCCCCn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301549791 1066377429 /nfs/dbraw/zinc/37/74/29/1066377429.db2.gz IAOFHPUODBAZAK-XMMPIXPASA-N 1 1 451.656 3.446 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CCCSC1 ZINC001302023990 1066379893 /nfs/dbraw/zinc/37/98/93/1066379893.db2.gz KRUHGJKQERPHEU-ADYITMSISA-N 1 1 495.734 3.471 20 0 JGADMO CC(C)(C)c1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCNS(C)(=O)=O)cc1 ZINC001302030151 1066394797 /nfs/dbraw/zinc/39/47/97/1066394797.db2.gz PRXZIJKCZNIHHQ-UHFFFAOYSA-N 1 1 490.718 3.493 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC3(Cc4ccccc4C3=O)CC2)n1CC[N@@H+](C)C(C)C ZINC001302034847 1066403951 /nfs/dbraw/zinc/40/39/51/1066403951.db2.gz CYRACTCTVANEME-HXUWFJFHSA-N 1 1 469.630 3.368 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCc3ccccc3[C@@H]2C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302043643 1066423495 /nfs/dbraw/zinc/42/34/95/1066423495.db2.gz WTASTPRKWRUUDZ-XJUOHMSHSA-N 1 1 471.646 3.483 20 0 JGADMO COCCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001301590068 1066427948 /nfs/dbraw/zinc/42/79/48/1066427948.db2.gz CQRXYQWTUNTRLQ-HXUWFJFHSA-N 1 1 450.587 3.082 20 0 JGADMO COCCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001301590068 1066427954 /nfs/dbraw/zinc/42/79/54/1066427954.db2.gz CQRXYQWTUNTRLQ-HXUWFJFHSA-N 1 1 450.587 3.082 20 0 JGADMO COCCCN(C)c1nnc(-c2ccccn2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301591195 1066429592 /nfs/dbraw/zinc/42/95/92/1066429592.db2.gz WIZNKCULJLYECY-JOCHJYFZSA-N 1 1 450.587 3.104 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302048145 1066431629 /nfs/dbraw/zinc/43/16/29/1066431629.db2.gz QSFXFKIJJDVPCO-HCXYKTFWSA-N 1 1 473.609 3.371 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](OC)C1 ZINC001301606561 1066451663 /nfs/dbraw/zinc/45/16/63/1066451663.db2.gz CQAIUZPYAUQAMT-QGZVFWFLSA-N 1 1 484.414 3.430 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001301606736 1066452449 /nfs/dbraw/zinc/45/24/49/1066452449.db2.gz DALMKSHBTDCPAM-GAJHUEQPSA-N 1 1 482.000 3.090 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302056828 1066453625 /nfs/dbraw/zinc/45/36/25/1066453625.db2.gz VUNRAABQUPADKZ-IMWIBFENSA-N 1 1 492.690 3.033 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CO)CC1 ZINC001301607243 1066453737 /nfs/dbraw/zinc/45/37/37/1066453737.db2.gz KHJTXXQPDCLIOK-UHFFFAOYSA-N 1 1 484.414 3.024 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1Cc1cnn(C)c1C ZINC001302057275 1066454149 /nfs/dbraw/zinc/45/41/49/1066454149.db2.gz XTYLGALZNGAJCE-CEMLEFRQSA-N 1 1 473.666 3.183 20 0 JGADMO COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCCC[C@H]2C1 ZINC001301607709 1066454240 /nfs/dbraw/zinc/45/42/40/1066454240.db2.gz PCUUVKUMYMEWQT-IBGZPJMESA-N 1 1 465.017 3.380 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCCC[C@H]2C1 ZINC001301607709 1066454245 /nfs/dbraw/zinc/45/42/45/1066454245.db2.gz PCUUVKUMYMEWQT-IBGZPJMESA-N 1 1 465.017 3.380 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1Cc1cnn(C)c1C ZINC001302057277 1066454278 /nfs/dbraw/zinc/45/42/78/1066454278.db2.gz XTYLGALZNGAJCE-KSEOMHKRSA-N 1 1 473.666 3.183 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001301607524 1066454409 /nfs/dbraw/zinc/45/44/09/1066454409.db2.gz NNVLXRUICRQTRP-HNAYVOBHSA-N 1 1 481.439 3.008 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@](C)(OC)C1 ZINC001301607714 1066454425 /nfs/dbraw/zinc/45/44/25/1066454425.db2.gz PHCATKAJABRENA-RUZDIDTESA-N 1 1 452.603 3.467 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC1=CCCOC1 ZINC001302057552 1066454994 /nfs/dbraw/zinc/45/49/94/1066454994.db2.gz YMHZKTDPSCPSBN-BHDDXSALSA-N 1 1 461.651 3.440 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001301608257 1066455725 /nfs/dbraw/zinc/45/57/25/1066455725.db2.gz YPEIFEMJLWAXFR-APWZRJJASA-N 1 1 471.524 3.078 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301610140 1066457640 /nfs/dbraw/zinc/45/76/40/1066457640.db2.gz NOWFSJPTHPWQDP-HXUWFJFHSA-N 1 1 487.649 3.062 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001301612254 1066460010 /nfs/dbraw/zinc/46/00/10/1066460010.db2.gz CEMCVNFDRBWUIR-AVRDEDQJSA-N 1 1 463.573 3.121 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302063207 1066461243 /nfs/dbraw/zinc/46/12/43/1066461243.db2.gz FLDKZAAMQRWDKY-JOCHJYFZSA-N 1 1 489.709 3.023 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](SC)C1 ZINC001301612826 1066461264 /nfs/dbraw/zinc/46/12/64/1066461264.db2.gz HKYNUZHELCILLA-DENIHFKCSA-N 1 1 475.659 3.481 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301614240 1066464332 /nfs/dbraw/zinc/46/43/32/1066464332.db2.gz XTPQIVQGROAFCU-FQEVSTJZSA-N 1 1 464.655 3.350 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001301616907 1066466954 /nfs/dbraw/zinc/46/69/54/1066466954.db2.gz FBRAMALTVNILRS-UHFFFAOYSA-N 1 1 488.702 3.270 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001302066537 1066467437 /nfs/dbraw/zinc/46/74/37/1066467437.db2.gz DOHVYQAORXYPLH-NJDAHSKKSA-N 1 1 451.656 3.374 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001302066539 1066467601 /nfs/dbraw/zinc/46/76/01/1066467601.db2.gz DOHVYQAORXYPLH-NJYVYQBISA-N 1 1 451.656 3.374 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(O)CCCCCC1 ZINC001302066547 1066468208 /nfs/dbraw/zinc/46/82/08/1066468208.db2.gz DQEWKKWAEUVABH-HXUWFJFHSA-N 1 1 451.656 3.398 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001301617526 1066468623 /nfs/dbraw/zinc/46/86/23/1066468623.db2.gz JQLJCUSRDBCTIH-RXVVDRJESA-N 1 1 494.562 3.405 20 0 JGADMO COCCC[N@@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001301617446 1066468641 /nfs/dbraw/zinc/46/86/41/1066468641.db2.gz IWTSHECPRXDYSV-IBGZPJMESA-N 1 1 454.619 3.322 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302068464 1066471926 /nfs/dbraw/zinc/47/19/26/1066471926.db2.gz PSDOIDIFLCBFSW-GCJKJVERSA-N 1 1 493.052 3.017 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001302069460 1066473909 /nfs/dbraw/zinc/47/39/09/1066473909.db2.gz VPMXCPYIBYQQQF-JOCHJYFZSA-N 1 1 496.660 3.168 20 0 JGADMO COCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301623253 1066482056 /nfs/dbraw/zinc/48/20/56/1066482056.db2.gz SXYRVYPHPCKSFJ-ILWGZMRPSA-N 1 1 457.619 3.228 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001302073003 1066483515 /nfs/dbraw/zinc/48/35/15/1066483515.db2.gz YFNNNBBOXYBMDR-FYYLOGMGSA-N 1 1 490.693 3.104 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1Cc1c(C)nn(C)c1C ZINC001302072734 1066483644 /nfs/dbraw/zinc/48/36/44/1066483644.db2.gz NAYWGGGJHKOSOI-OAQYLSRUSA-N 1 1 499.635 3.252 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001302073006 1066483966 /nfs/dbraw/zinc/48/39/66/1066483966.db2.gz YFNNNBBOXYBMDR-JTHBVZDNSA-N 1 1 490.693 3.104 20 0 JGADMO COCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301627198 1066485062 /nfs/dbraw/zinc/48/50/62/1066485062.db2.gz CWJFAYROPKLFJN-UHFFFAOYSA-N 1 1 453.429 3.393 20 0 JGADMO CC(=O)c1ccc(N2CCN(c3nnc(-c4cnn(C)c4)n3CCC[N@H+](C)C(C)C)CC2)c(F)c1 ZINC001301627438 1066485994 /nfs/dbraw/zinc/48/59/94/1066485994.db2.gz NHPWRNAUGPCASG-UHFFFAOYSA-N 1 1 482.608 3.077 20 0 JGADMO COCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301630844 1066492190 /nfs/dbraw/zinc/49/21/90/1066492190.db2.gz QPSYFTZQACGKHO-KRWDZBQOSA-N 1 1 478.435 3.434 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301635398 1066498814 /nfs/dbraw/zinc/49/88/14/1066498814.db2.gz PTKJGQXLYPTDCV-OAQYLSRUSA-N 1 1 453.635 3.155 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001301636124 1066500363 /nfs/dbraw/zinc/50/03/63/1066500363.db2.gz YKOSBLPYZJRWER-UHFFFAOYSA-N 1 1 471.009 3.426 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301637619 1066501162 /nfs/dbraw/zinc/50/11/62/1066501162.db2.gz DJMGETAQEIHNAP-RDPSFJRHSA-N 1 1 468.646 3.487 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301638497 1066502582 /nfs/dbraw/zinc/50/25/82/1066502582.db2.gz QTCKKMQUJWVGSU-UYAOXDASSA-N 1 1 453.635 3.216 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCCn2cc[nH+]c2C)C1 ZINC001301648636 1066513985 /nfs/dbraw/zinc/51/39/85/1066513985.db2.gz DLHHLDBPPHBBCC-LJQANCHMSA-N 1 1 455.994 3.498 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001301650690 1066517240 /nfs/dbraw/zinc/51/72/40/1066517240.db2.gz PTFIMNKMTDRUEO-FPOVZHCZSA-N 1 1 489.064 3.404 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301650894 1066517820 /nfs/dbraw/zinc/51/78/20/1066517820.db2.gz QOZXAERICBTQNV-LJQANCHMSA-N 1 1 475.037 3.014 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301650894 1066517832 /nfs/dbraw/zinc/51/78/32/1066517832.db2.gz QOZXAERICBTQNV-LJQANCHMSA-N 1 1 475.037 3.014 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301650892 1066517877 /nfs/dbraw/zinc/51/78/77/1066517877.db2.gz QOZXAERICBTQNV-IBGZPJMESA-N 1 1 475.037 3.014 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001302090441 1066517874 /nfs/dbraw/zinc/51/78/74/1066517874.db2.gz VGIPMDPSCLWBME-WIYYLYMNSA-N 1 1 497.562 3.370 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301650892 1066517887 /nfs/dbraw/zinc/51/78/87/1066517887.db2.gz QOZXAERICBTQNV-IBGZPJMESA-N 1 1 475.037 3.014 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccnc3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001301651619 1066518754 /nfs/dbraw/zinc/51/87/54/1066518754.db2.gz WOPCKHKUFKZFHC-NRFANRHFSA-N 1 1 453.635 3.299 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCc1c(F)cccc1F ZINC001302091419 1066519471 /nfs/dbraw/zinc/51/94/71/1066519471.db2.gz CLNZFQWFIZBMOC-RBUKOAKNSA-N 1 1 493.599 3.213 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001302094160 1066522252 /nfs/dbraw/zinc/52/22/52/1066522252.db2.gz YQJISOWHVCIOFB-ZVDOUQERSA-N 1 1 461.582 3.283 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001302094157 1066522267 /nfs/dbraw/zinc/52/22/67/1066522267.db2.gz YQJISOWHVCIOFB-QKNQBKEWSA-N 1 1 461.582 3.283 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001302094158 1066522349 /nfs/dbraw/zinc/52/23/49/1066522349.db2.gz YQJISOWHVCIOFB-SBHAEUEKSA-N 1 1 461.582 3.283 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCOc1ncccc1F ZINC001302095301 1066524558 /nfs/dbraw/zinc/52/45/58/1066524558.db2.gz DJNQFUVDVHGWSY-UHFFFAOYSA-N 1 1 468.577 3.390 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CCCCS1 ZINC001302095387 1066525195 /nfs/dbraw/zinc/52/51/95/1066525195.db2.gz JJIDTHFZRLJVDY-RBBKRZOGSA-N 1 1 473.687 3.423 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccccc1C ZINC001302095693 1066525631 /nfs/dbraw/zinc/52/56/31/1066525631.db2.gz WCGCDUMEQFBSCM-LEWJYISDSA-N 1 1 457.619 3.048 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCSC1(C)C ZINC001302095736 1066525736 /nfs/dbraw/zinc/52/57/36/1066525736.db2.gz WNQGWXLARYPJQP-SLFFLAALSA-N 1 1 481.707 3.223 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302096766 1066528088 /nfs/dbraw/zinc/52/80/88/1066528088.db2.gz IPSWZKLIPOCOPR-BPYKYCOYSA-N 1 1 481.682 3.144 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(CCOc3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301660249 1066529780 /nfs/dbraw/zinc/52/97/80/1066529780.db2.gz INHFJUAHXGMBQH-WMTXJRDZSA-N 1 1 482.673 3.325 20 0 JGADMO CC(C)(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CCC[NH+]1CCOCC1 ZINC001302098281 1066530270 /nfs/dbraw/zinc/53/02/70/1066530270.db2.gz GELNTTDVKFIKGD-FQEVSTJZSA-N 1 1 479.572 3.477 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301662332 1066533845 /nfs/dbraw/zinc/53/38/45/1066533845.db2.gz FKEZDAJBCPNEGE-ZRCGQRJVSA-N 1 1 470.637 3.433 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301662320 1066533861 /nfs/dbraw/zinc/53/38/61/1066533861.db2.gz FKEZDAJBCPNEGE-MIZPHKNDSA-N 1 1 470.637 3.433 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301662470 1066534295 /nfs/dbraw/zinc/53/42/95/1066534295.db2.gz ZITOIESBFGVASE-FQEVSTJZSA-N 1 1 476.710 3.455 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302110604 1066549640 /nfs/dbraw/zinc/54/96/40/1066549640.db2.gz FOJAEDZCESNEBI-NJYVYQBISA-N 1 1 489.686 3.213 20 0 JGADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001301681294 1066564093 /nfs/dbraw/zinc/56/40/93/1066564093.db2.gz LTIIZWBQAJFSIM-OPAMFIHVSA-N 1 1 452.521 3.261 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)ccc2NC1=O ZINC001302123841 1066568009 /nfs/dbraw/zinc/56/80/09/1066568009.db2.gz AGCXJRZCRVVHKL-TZIWHRDSSA-N 1 1 456.587 3.211 20 0 JGADMO COCCOc1cc(C)ccc1Cn1c(C(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001302131467 1066575862 /nfs/dbraw/zinc/57/58/62/1066575862.db2.gz WHHHDSFKCNIQRY-OAQYLSRUSA-N 1 1 471.646 3.473 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001301690548 1066578170 /nfs/dbraw/zinc/57/81/70/1066578170.db2.gz DZFAEKCJILHSTH-OAQYLSRUSA-N 1 1 471.005 3.081 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001301691925 1066579117 /nfs/dbraw/zinc/57/91/17/1066579117.db2.gz LLFQQEKVJGPJIK-QFIPXVFZSA-N 1 1 470.662 3.268 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001301696352 1066584477 /nfs/dbraw/zinc/58/44/77/1066584477.db2.gz NGNNIWYNDVZYJN-UHFFFAOYSA-N 1 1 454.550 3.176 20 0 JGADMO CC(=O)N1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301699942 1066588828 /nfs/dbraw/zinc/58/88/28/1066588828.db2.gz GCTXZRCBGLDIRZ-RZUBCFFCSA-N 1 1 460.667 3.335 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302141262 1066589449 /nfs/dbraw/zinc/58/94/49/1066589449.db2.gz KXLDKNUDXCFNHZ-UXHICEINSA-N 1 1 478.682 3.207 20 0 JGADMO CC(=O)N1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001301700380 1066589709 /nfs/dbraw/zinc/58/97/09/1066589709.db2.gz XQXCBDWLTMEOHA-UHFFFAOYSA-N 1 1 475.641 3.211 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301703841 1066592310 /nfs/dbraw/zinc/59/23/10/1066592310.db2.gz IGFYGMXQDSMLOQ-VXKWHMMOSA-N 1 1 468.646 3.345 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301703840 1066592409 /nfs/dbraw/zinc/59/24/09/1066592409.db2.gz IGFYGMXQDSMLOQ-FGZHOGPDSA-N 1 1 468.646 3.345 20 0 JGADMO CC(=O)N1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001301705573 1066595078 /nfs/dbraw/zinc/59/50/78/1066595078.db2.gz KRRREPNRWHOTLW-HSZRJFAPSA-N 1 1 468.646 3.079 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[C@H]3CCCCO3)C[C@@H]2C)CC1 ZINC001301707327 1066597393 /nfs/dbraw/zinc/59/73/93/1066597393.db2.gz BWTMRDIGSNQRKL-MDNUFGMLSA-N 1 1 474.694 3.304 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCCOC(C)C)C[C@@H]2C)CC1 ZINC001301707567 1066598103 /nfs/dbraw/zinc/59/81/03/1066598103.db2.gz CYRYSGXHTZQOEZ-GMAHTHKFSA-N 1 1 476.710 3.451 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3ccccc3)C[C@H]2C)CC1 ZINC001301707660 1066598120 /nfs/dbraw/zinc/59/81/20/1066598120.db2.gz DZDPSWSYWCDFDB-TZBSWOFLSA-N 1 1 482.673 3.323 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4ccsc4)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301707680 1066598231 /nfs/dbraw/zinc/59/82/31/1066598231.db2.gz FAHBHPJWSSKQIR-NZQKXSOJSA-N 1 1 488.702 3.124 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCC3CCOCC3)C[C@H]2C)CC1 ZINC001301708249 1066599765 /nfs/dbraw/zinc/59/97/65/1066599765.db2.gz KHKJKRRVRNFVTA-OFNKIYASSA-N 1 1 474.694 3.062 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)c3ccccc3F)C[C@@H]2C)CC1 ZINC001301708272 1066599837 /nfs/dbraw/zinc/59/98/37/1066599837.db2.gz KPAXBXMSARKVFR-FDDCHVKYSA-N 1 1 456.610 3.082 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccc4F)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301708325 1066600784 /nfs/dbraw/zinc/60/07/84/1066600784.db2.gz LKBVBWGUEPJBBO-HYBUGGRVSA-N 1 1 486.636 3.278 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001302150088 1066600926 /nfs/dbraw/zinc/60/09/26/1066600926.db2.gz CSFFEUJNBKXRCB-IRLDBZIGSA-N 1 1 456.635 3.482 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CCc3ccsc3)C[C@@H]2C)CC1 ZINC001301708487 1066601356 /nfs/dbraw/zinc/60/13/56/1066601356.db2.gz NVIQPGGEOQJHKF-SIKLNZKXSA-N 1 1 458.676 3.160 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708738 1066602045 /nfs/dbraw/zinc/60/20/45/1066602045.db2.gz PSCSXEGZXYVYQH-GMAHTHKFSA-N 1 1 462.683 3.233 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(F)c3)C[C@H]2C)CC1 ZINC001301709354 1066602755 /nfs/dbraw/zinc/60/27/55/1066602755.db2.gz UDPPRMWERCTHST-GCJKJVERSA-N 1 1 456.610 3.142 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001301710027 1066603499 /nfs/dbraw/zinc/60/34/99/1066603499.db2.gz BXHPLQZHKLZYCW-JOCHJYFZSA-N 1 1 454.619 3.132 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301709604 1066603639 /nfs/dbraw/zinc/60/36/39/1066603639.db2.gz UVHILTQHJRXZKH-WMZOPIPTSA-N 1 1 458.573 3.297 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC4CCCC4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001301709651 1066603746 /nfs/dbraw/zinc/60/37/46/1066603746.db2.gz VPAAXHVZKARLPO-OFNKIYASSA-N 1 1 474.694 3.205 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(C)C)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC001301710490 1066604776 /nfs/dbraw/zinc/60/47/76/1066604776.db2.gz JEBAEJOCFLHDAV-UHFFFAOYSA-N 1 1 451.619 3.427 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302153575 1066607543 /nfs/dbraw/zinc/60/75/43/1066607543.db2.gz FECZMOPSKBCJBO-IBGZPJMESA-N 1 1 462.683 3.109 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302153575 1066607547 /nfs/dbraw/zinc/60/75/47/1066607547.db2.gz FECZMOPSKBCJBO-IBGZPJMESA-N 1 1 462.683 3.109 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001301712648 1066609190 /nfs/dbraw/zinc/60/91/90/1066609190.db2.gz GUQTVBSPUUORBO-KRWDZBQOSA-N 1 1 461.916 3.334 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001301713930 1066614160 /nfs/dbraw/zinc/61/41/60/1066614160.db2.gz OTNUQQSIXRBHOM-SFHVURJKSA-N 1 1 497.669 3.012 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCOC1 ZINC001301714743 1066616595 /nfs/dbraw/zinc/61/65/95/1066616595.db2.gz XEGBGLVTAJJEIV-MRXNPFEDSA-N 1 1 470.387 3.040 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301716656 1066618666 /nfs/dbraw/zinc/61/86/66/1066618666.db2.gz MJQZDWSBWIKYAQ-NRFANRHFSA-N 1 1 472.634 3.407 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302160722 1066619204 /nfs/dbraw/zinc/61/92/04/1066619204.db2.gz LKVDSXXTBRESTD-UHFFFAOYSA-N 1 1 474.675 3.003 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2c[nH]c3ccccc32)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001301717819 1066619934 /nfs/dbraw/zinc/61/99/34/1066619934.db2.gz WAWWLSVUEABVMK-UHFFFAOYSA-N 1 1 481.645 3.089 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001301717830 1066620068 /nfs/dbraw/zinc/62/00/68/1066620068.db2.gz WKTLVNRFPUVAGX-HSZRJFAPSA-N 1 1 454.619 3.266 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1Cc2cccc(Br)c2C1 ZINC001301718694 1066620855 /nfs/dbraw/zinc/62/08/55/1066620855.db2.gz IXZABJIITAPYQN-GOSISDBHSA-N 1 1 478.435 3.423 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(F)(F)F ZINC001301718887 1066621341 /nfs/dbraw/zinc/62/13/41/1066621341.db2.gz KOMDNJSEKSHNAS-UHFFFAOYSA-N 1 1 492.587 3.359 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1Cc2cccc(Br)c2C1 ZINC001301718696 1066621355 /nfs/dbraw/zinc/62/13/55/1066621355.db2.gz IXZABJIITAPYQN-SFHVURJKSA-N 1 1 478.435 3.423 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC001301719309 1066621418 /nfs/dbraw/zinc/62/14/18/1066621418.db2.gz QENGPRSVZDQHHK-QHCPKHFHSA-N 1 1 450.587 3.195 20 0 JGADMO CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@]4(C)C[N@H+](C)C[C@]4(C)C3)cc2)cc1 ZINC001301718776 1066621456 /nfs/dbraw/zinc/62/14/56/1066621456.db2.gz TULRWLNKNYARFL-PSWAGMNNSA-N 1 1 455.580 3.104 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001301719611 1066621908 /nfs/dbraw/zinc/62/19/08/1066621908.db2.gz SKJGPDONCTVSEN-HXUWFJFHSA-N 1 1 494.681 3.372 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001301720234 1066622557 /nfs/dbraw/zinc/62/25/57/1066622557.db2.gz BSUJPTCHMPIHRG-GHTZIAJQSA-N 1 1 467.445 3.252 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001302163129 1066623291 /nfs/dbraw/zinc/62/32/91/1066623291.db2.gz YVJACOWYMGWKJU-GOTSBHOMSA-N 1 1 471.646 3.108 20 0 JGADMO COCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001302163132 1066623377 /nfs/dbraw/zinc/62/33/77/1066623377.db2.gz YVJACOWYMGWKJU-XZOQPEGZSA-N 1 1 471.646 3.108 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001301721049 1066625588 /nfs/dbraw/zinc/62/55/88/1066625588.db2.gz HQZYTRPQYZYPIG-CLAROIROSA-N 1 1 463.667 3.313 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301721273 1066626409 /nfs/dbraw/zinc/62/64/09/1066626409.db2.gz IKPHRYKCCFAQON-MRXNPFEDSA-N 1 1 493.425 3.247 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302166041 1066628729 /nfs/dbraw/zinc/62/87/29/1066628729.db2.gz QHGVJCAZHONNGT-QFIPXVFZSA-N 1 1 458.626 3.179 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001301723156 1066633588 /nfs/dbraw/zinc/63/35/88/1066633588.db2.gz XICJBSZXVWDZSK-UHFFFAOYSA-N 1 1 490.077 3.264 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001301725153 1066638358 /nfs/dbraw/zinc/63/83/58/1066638358.db2.gz MWIFFTJGRKULJN-DEOSSOPVSA-N 1 1 482.673 3.148 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001301725301 1066639605 /nfs/dbraw/zinc/63/96/05/1066639605.db2.gz CAWHHJCQNSENEB-UGKGYDQZSA-N 1 1 459.635 3.061 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CNC(C)=O)CC1 ZINC001301725484 1066639613 /nfs/dbraw/zinc/63/96/13/1066639613.db2.gz GPLVIRQJXBGIDK-SFHVURJKSA-N 1 1 488.702 3.062 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2noc(C)n2)C1 ZINC001301725915 1066641542 /nfs/dbraw/zinc/64/15/42/1066641542.db2.gz KJWDWFKEYDVSLQ-GOSISDBHSA-N 1 1 496.399 3.099 20 0 JGADMO COCCOC1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001302171685 1066641509 /nfs/dbraw/zinc/64/15/09/1066641509.db2.gz NAQXTHSPZLNGFM-OYRHEFFESA-N 1 1 456.635 3.340 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H]1CCSC1 ZINC001301726058 1066641654 /nfs/dbraw/zinc/64/16/54/1066641654.db2.gz NXTPKLYPHJFZMU-HNNXBMFYSA-N 1 1 484.464 3.236 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001301726112 1066642460 /nfs/dbraw/zinc/64/24/60/1066642460.db2.gz PJSJFDPVXHJTHY-INIZCTEOSA-N 1 1 451.999 3.189 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001301726339 1066642851 /nfs/dbraw/zinc/64/28/51/1066642851.db2.gz QBPWMADUIWRFDN-INIZCTEOSA-N 1 1 492.340 3.053 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001301726387 1066642906 /nfs/dbraw/zinc/64/29/06/1066642906.db2.gz RNZKWNBFCDLNEP-HXUWFJFHSA-N 1 1 457.619 3.210 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001301726340 1066642918 /nfs/dbraw/zinc/64/29/18/1066642918.db2.gz QBPWMADUIWRFDN-MRXNPFEDSA-N 1 1 492.340 3.053 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001301727635 1066644980 /nfs/dbraw/zinc/64/49/80/1066644980.db2.gz IBPVZASCBMPAFG-NRFANRHFSA-N 1 1 473.515 3.192 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001301727347 1066644997 /nfs/dbraw/zinc/64/49/97/1066644997.db2.gz BVJAQZSLEJKBKG-QGZVFWFLSA-N 1 1 488.434 3.013 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C)=C(Br)C1 ZINC001301727583 1066645149 /nfs/dbraw/zinc/64/51/49/1066645149.db2.gz GNYZVTRCHHTGRP-UHFFFAOYSA-N 1 1 478.391 3.131 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301727651 1066645922 /nfs/dbraw/zinc/64/59/22/1066645922.db2.gz IJEUBPGWOGLAKT-SFHVURJKSA-N 1 1 494.040 3.065 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](COC)C1 ZINC001301727969 1066646519 /nfs/dbraw/zinc/64/65/19/1066646519.db2.gz PXFAAWGORLRPRR-KRWDZBQOSA-N 1 1 466.424 3.149 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncc(Cl)n1C ZINC001301728062 1066647153 /nfs/dbraw/zinc/64/71/53/1066647153.db2.gz UEPXKZLVGXBROB-UHFFFAOYSA-N 1 1 452.390 3.200 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001301729850 1066648609 /nfs/dbraw/zinc/64/86/09/1066648609.db2.gz NIYBHYWXMBSAAH-OAQYLSRUSA-N 1 1 456.978 3.150 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001301730360 1066649098 /nfs/dbraw/zinc/64/90/98/1066649098.db2.gz VABWUFVJRHBMBU-WIYYLYMNSA-N 1 1 456.616 3.255 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001301730358 1066649123 /nfs/dbraw/zinc/64/91/23/1066649123.db2.gz VABWUFVJRHBMBU-NQIIRXRSSA-N 1 1 456.616 3.255 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301730822 1066650020 /nfs/dbraw/zinc/65/00/20/1066650020.db2.gz ZEJPKNIMVHMSES-FQEVSTJZSA-N 1 1 487.649 3.062 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001301730834 1066650115 /nfs/dbraw/zinc/65/01/15/1066650115.db2.gz MOUOWRKKIADNES-SFTDATJTSA-N 1 1 461.614 3.308 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001302176159 1066650593 /nfs/dbraw/zinc/65/05/93/1066650593.db2.gz LEPIZFNACSHEPW-UHFFFAOYSA-N 1 1 465.708 3.394 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301731111 1066650692 /nfs/dbraw/zinc/65/06/92/1066650692.db2.gz JZTNHDZAHMJKBP-NHCUHLMSSA-N 1 1 464.010 3.329 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001301732044 1066651334 /nfs/dbraw/zinc/65/13/34/1066651334.db2.gz QDNKJFMQSZVTON-HNNXBMFYSA-N 1 1 476.528 3.060 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001301733794 1066654678 /nfs/dbraw/zinc/65/46/78/1066654678.db2.gz IXFVWEILQJXOTF-XMMPIXPASA-N 1 1 465.646 3.410 20 0 JGADMO COCCOC1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001302179184 1066654959 /nfs/dbraw/zinc/65/49/59/1066654959.db2.gz GHMUEXQULVSRSM-NHCUHLMSSA-N 1 1 463.667 3.314 20 0 JGADMO COCCOC1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001302179037 1066654968 /nfs/dbraw/zinc/65/49/68/1066654968.db2.gz CBXPBEXKFWNDQS-BGYRXZFFSA-N 1 1 463.667 3.455 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001301735058 1066656597 /nfs/dbraw/zinc/65/65/97/1066656597.db2.gz UPQRSVCQZXTGMH-CTNGQTDRSA-N 1 1 453.635 3.218 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001301735203 1066656634 /nfs/dbraw/zinc/65/66/34/1066656634.db2.gz XAUFIEFLNZNXJA-XMMPIXPASA-N 1 1 464.054 3.282 20 0 JGADMO COCC[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001301735202 1066656685 /nfs/dbraw/zinc/65/66/85/1066656685.db2.gz XAUFIEFLNZNXJA-DEOSSOPVSA-N 1 1 464.054 3.282 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCCC2)C1 ZINC001301740082 1066660903 /nfs/dbraw/zinc/66/09/03/1066660903.db2.gz JANWSXSLYOBAQS-BGYRXZFFSA-N 1 1 476.666 3.398 20 0 JGADMO COCC[N@@H+](C)CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001301739977 1066660918 /nfs/dbraw/zinc/66/09/18/1066660918.db2.gz GYALVBHSGYUDJT-RPBOFIJWSA-N 1 1 461.651 3.224 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2F)CC1 ZINC001301741246 1066663144 /nfs/dbraw/zinc/66/31/44/1066663144.db2.gz QDFXPSIGSNCBPR-NFBKMPQASA-N 1 1 488.652 3.241 20 0 JGADMO COc1ccc([C@H]2CN(C(=O)c3cc(I)c(F)cc3F)CC[NH2+]2)cc1 ZINC001302185747 1066664582 /nfs/dbraw/zinc/66/45/82/1066664582.db2.gz WIDFSWALUYMCPX-QGZVFWFLSA-N 1 1 458.246 3.365 20 0 JGADMO CC(C)(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302188753 1066667172 /nfs/dbraw/zinc/66/71/72/1066667172.db2.gz LIHDSYLGJJHMAV-LJQANCHMSA-N 1 1 474.675 3.254 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC001301744277 1066669428 /nfs/dbraw/zinc/66/94/28/1066669428.db2.gz LHZSNHYDVLVMCM-GBESFXJTSA-N 1 1 474.600 3.325 20 0 JGADMO COCCN(c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1CCOCC1)[C@@H]1CC[C@H](C)C1 ZINC001301747436 1066675143 /nfs/dbraw/zinc/67/51/43/1066675143.db2.gz CZNVWMVLXMBNCO-AZUAARDMSA-N 1 1 463.026 3.357 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)CC1 ZINC001302192228 1066676096 /nfs/dbraw/zinc/67/60/96/1066676096.db2.gz HJCYSGVKVFPPAB-GCJKJVERSA-N 1 1 469.721 3.024 20 0 JGADMO COCCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[C@H](C)C1 ZINC001301748252 1066676674 /nfs/dbraw/zinc/67/66/74/1066676674.db2.gz KCGDTQCXNPEJLE-PCCBWWKXSA-N 1 1 457.619 3.316 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301751267 1066682294 /nfs/dbraw/zinc/68/22/94/1066682294.db2.gz XYTNCZPZUZYBGH-JOCHJYFZSA-N 1 1 468.646 3.407 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001302195508 1066684343 /nfs/dbraw/zinc/68/43/43/1066684343.db2.gz TUKOPCFMOCYIIO-UHFFFAOYSA-N 1 1 482.654 3.297 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccs2)CC1 ZINC001302195902 1066685039 /nfs/dbraw/zinc/68/50/39/1066685039.db2.gz XFSSJAJPPMGQFH-UHFFFAOYSA-N 1 1 453.616 3.142 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001302195999 1066685824 /nfs/dbraw/zinc/68/58/24/1066685824.db2.gz XXCIDYJHOVNLCA-SFHVURJKSA-N 1 1 463.623 3.362 20 0 JGADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301756350 1066688252 /nfs/dbraw/zinc/68/82/52/1066688252.db2.gz JDJCJWOMFPRURG-FQEVSTJZSA-N 1 1 456.660 3.279 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001302199266 1066691415 /nfs/dbraw/zinc/69/14/15/1066691415.db2.gz AJQLVSHRTQVBOE-UHFFFAOYSA-N 1 1 495.640 3.283 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001301757969 1066692835 /nfs/dbraw/zinc/69/28/35/1066692835.db2.gz DYOXBFBSQSPLOX-MOPGFXCFSA-N 1 1 475.037 3.299 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301757998 1066692876 /nfs/dbraw/zinc/69/28/76/1066692876.db2.gz FXGZEIKROXDFDJ-HSZRJFAPSA-N 1 1 468.646 3.263 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCCCS(C)(=O)=O)CC1 ZINC001302200303 1066693290 /nfs/dbraw/zinc/69/32/90/1066693290.db2.gz KWPNUZKRBVPBKU-IBGZPJMESA-N 1 1 455.669 3.045 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001301758398 1066694083 /nfs/dbraw/zinc/69/40/83/1066694083.db2.gz HYINLAGDFYBTNF-NRFANRHFSA-N 1 1 456.635 3.261 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCCO)CC1 ZINC001302200339 1066694307 /nfs/dbraw/zinc/69/43/07/1066694307.db2.gz MFWWSFPEOLTNCY-UHFFFAOYSA-N 1 1 450.027 3.232 20 0 JGADMO COCCN(c1nnc(Cc2ccncc2)n1CC[N@@H+]1CCOCC1(C)C)[C@@H]1CC[C@H](C)C1 ZINC001301760054 1066697208 /nfs/dbraw/zinc/69/72/08/1066697208.db2.gz ZADSODGUXWEJLV-RBBKRZOGSA-N 1 1 456.635 3.016 20 0 JGADMO COCCN(c1nnc(Cc2ccncc2)n1CC[N@H+]1CCOCC1(C)C)[C@@H]1CC[C@H](C)C1 ZINC001301760054 1066697217 /nfs/dbraw/zinc/69/72/17/1066697217.db2.gz ZADSODGUXWEJLV-RBBKRZOGSA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301762458 1066700602 /nfs/dbraw/zinc/70/06/02/1066700602.db2.gz AXCMRZIFBOLHDL-GBXCKJPGSA-N 1 1 484.620 3.341 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CCc4ccccc4)n3CCSC(C)C)C[C@@H]2C)CC1 ZINC001301762625 1066701423 /nfs/dbraw/zinc/70/14/23/1066701423.db2.gz CHBNWZWFJNDFQE-XUZZJYLKSA-N 1 1 484.714 3.194 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCCOC(C)C)C[C@H]2C)CC1 ZINC001301762934 1066702034 /nfs/dbraw/zinc/70/20/34/1066702034.db2.gz DHAQSWDKKABNHQ-KNQAVFIVSA-N 1 1 472.634 3.041 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)C(C)C)C[C@@H]2C)CC1 ZINC001301763159 1066702720 /nfs/dbraw/zinc/70/27/20/1066702720.db2.gz FMSITCRJLURZEX-WMZHIEFXSA-N 1 1 467.662 3.320 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)C(C)C)C[C@H]2C)CC1 ZINC001301763162 1066702735 /nfs/dbraw/zinc/70/27/35/1066702735.db2.gz FMSITCRJLURZEX-XXBNENTESA-N 1 1 467.662 3.320 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCCSCC(C)C)C[C@H]2C)CC1 ZINC001301763666 1066703746 /nfs/dbraw/zinc/70/37/46/1066703746.db2.gz GTKQWTPHPRLDSJ-TZIWHRDSSA-N 1 1 450.697 3.170 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CC(C)(C)C(F)(F)F)C[C@@H]2C)CC1 ZINC001301764041 1066704374 /nfs/dbraw/zinc/70/43/74/1066704374.db2.gz IAQSYBHVWFTDLZ-UHOSZYNNSA-N 1 1 486.583 3.097 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CC(C)(C)C(F)(F)F)C[C@H]2C)CC1 ZINC001301764035 1066704383 /nfs/dbraw/zinc/70/43/83/1066704383.db2.gz IAQSYBHVWFTDLZ-QRQLOZEOSA-N 1 1 486.583 3.097 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCc3cccc(F)c3F)C[C@H]2C)CC1 ZINC001301764462 1066705558 /nfs/dbraw/zinc/70/55/58/1066705558.db2.gz JQUMTPWUCLYJGT-XMSQKQJNSA-N 1 1 488.627 3.376 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCc3ccc(F)cc3C)C[C@@H]2C)CC1 ZINC001301764811 1066706005 /nfs/dbraw/zinc/70/60/05/1066706005.db2.gz LBWDKBUIRWPAOU-WMZHIEFXSA-N 1 1 456.610 3.081 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccsc4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001301764754 1066706019 /nfs/dbraw/zinc/70/60/19/1066706019.db2.gz KQAPEUKWZGPIIF-DENIHFKCSA-N 1 1 458.676 3.355 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001301765090 1066706061 /nfs/dbraw/zinc/70/60/61/1066706061.db2.gz VOCIBHLLJSEJTE-UHFFFAOYSA-N 1 1 456.978 3.300 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001301765125 1066706568 /nfs/dbraw/zinc/70/65/68/1066706568.db2.gz WFGSIYAXHLCRPB-HSZRJFAPSA-N 1 1 468.646 3.022 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(OC(C)C)cc3)C[C@@H]2C)CC1 ZINC001301767151 1066708395 /nfs/dbraw/zinc/70/83/95/1066708395.db2.gz PLLZVVMJWBPOKG-RDPSFJRHSA-N 1 1 482.673 3.400 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(F)(F)CC2)CC1 ZINC001301767075 1066708718 /nfs/dbraw/zinc/70/87/18/1066708718.db2.gz MIJPHLBETMXAIF-UHFFFAOYSA-N 1 1 470.927 3.137 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3c(F)cccc3OC(F)F)C[C@@H]2C)CC1 ZINC001301767539 1066709738 /nfs/dbraw/zinc/70/97/38/1066709738.db2.gz QPUXFWGGLFYPGE-OXJNMPFZSA-N 1 1 494.562 3.179 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC(F)(F)C3)C[C@@H]2C)CC1 ZINC001301767559 1066709749 /nfs/dbraw/zinc/70/97/49/1066709749.db2.gz QVHRZOXHLNISBP-DFQSSKMNSA-N 1 1 466.621 3.291 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCCCCCO)C[C@H]2C)CC1 ZINC001301767514 1066709825 /nfs/dbraw/zinc/70/98/25/1066709825.db2.gz QMAXGCZTHMJODG-AUSIDOKSSA-N 1 1 489.064 3.140 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3Br)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001301767700 1066710582 /nfs/dbraw/zinc/71/05/82/1066710582.db2.gz WFJIYYKTGVLRBI-QGZVFWFLSA-N 1 1 475.435 3.108 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(Cl)c3)C[C@H]2C)CC1 ZINC001301768582 1066711634 /nfs/dbraw/zinc/71/16/34/1066711634.db2.gz XMTAACXUXMWNEQ-DYESRHJHSA-N 1 1 459.038 3.266 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(-c2cnccn2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001301780796 1066730567 /nfs/dbraw/zinc/73/05/67/1066730567.db2.gz TURQNOVBIWVELT-RTBURBONSA-N 1 1 453.591 3.410 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302225830 1066738922 /nfs/dbraw/zinc/73/89/22/1066738922.db2.gz VGGQFKKQVWSBKV-FQEVSTJZSA-N 1 1 474.650 3.270 20 0 JGADMO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302225833 1066738943 /nfs/dbraw/zinc/73/89/43/1066738943.db2.gz VGGQFKKQVWSBKV-HXUWFJFHSA-N 1 1 474.650 3.270 20 0 JGADMO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(F)(F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302234779 1066754797 /nfs/dbraw/zinc/75/47/97/1066754797.db2.gz UWBYWARQTKTNJN-SFHVURJKSA-N 1 1 482.576 3.084 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001301804727 1066756501 /nfs/dbraw/zinc/75/65/01/1066756501.db2.gz YYFZEGBDQRVDMP-HRTMPFAESA-N 1 1 486.636 3.205 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301807285 1066760442 /nfs/dbraw/zinc/76/04/42/1066760442.db2.gz HSKBYQGUXDAVGB-KVEMZPMDSA-N 1 1 498.720 3.391 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301807454 1066760952 /nfs/dbraw/zinc/76/09/52/1066760952.db2.gz GOAUKXFWLOTQJE-UREXAPBRSA-N 1 1 460.667 3.176 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001302240783 1066764611 /nfs/dbraw/zinc/76/46/11/1066764611.db2.gz GHXVNJILCFNVJT-FQEVSTJZSA-N 1 1 462.639 3.152 20 0 JGADMO COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC001301811151 1066766620 /nfs/dbraw/zinc/76/66/20/1066766620.db2.gz GWKFSYLGZRSEMH-UUOWRZLLSA-N 1 1 451.567 3.141 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1CCn1cc[nH+]c1C ZINC001302243883 1066772510 /nfs/dbraw/zinc/77/25/10/1066772510.db2.gz ROUZJXDWRHNPDY-URXFXBBRSA-N 1 1 495.628 3.207 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccoc2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302248309 1066780962 /nfs/dbraw/zinc/78/09/62/1066780962.db2.gz OVZQSUCSSCOAAP-UDKICSLYSA-N 1 1 475.634 3.428 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301820829 1066782198 /nfs/dbraw/zinc/78/21/98/1066782198.db2.gz LMZKRDDOFTWYDZ-RZUBCFFCSA-N 1 1 468.646 3.246 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001302249754 1066784468 /nfs/dbraw/zinc/78/44/68/1066784468.db2.gz HKFXDPQWVFMRPD-MJYYMLJQSA-N 1 1 489.686 3.108 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001302249755 1066784497 /nfs/dbraw/zinc/78/44/97/1066784497.db2.gz HKFXDPQWVFMRPD-QVUQJPMUSA-N 1 1 489.686 3.108 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001302249756 1066784628 /nfs/dbraw/zinc/78/46/28/1066784628.db2.gz HKFXDPQWVFMRPD-VSJNRLFWSA-N 1 1 489.686 3.108 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1CCn1cc[nH+]c1C ZINC001302250695 1066785466 /nfs/dbraw/zinc/78/54/66/1066785466.db2.gz QBBSQYGBHSZVSC-UNMCSNQZSA-N 1 1 454.575 3.161 20 0 JGADMO CC(C)(C)OC(=O)NCC(F)(F)Cn1c(N2CC[N@H+]3CCCC[C@@H]3C2)nnc1C(C)(C)C ZINC001302252437 1066790279 /nfs/dbraw/zinc/79/02/79/1066790279.db2.gz LVQLAAMLQXSRCW-MRXNPFEDSA-N 1 1 456.582 3.410 20 0 JGADMO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302252611 1066791080 /nfs/dbraw/zinc/79/10/80/1066791080.db2.gz FHJGALHJQWALIF-VQTJNVASSA-N 1 1 460.623 3.133 20 0 JGADMO CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302253785 1066794856 /nfs/dbraw/zinc/79/48/56/1066794856.db2.gz WLNJMTSWXFUARS-QGZVFWFLSA-N 1 1 486.608 3.253 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301845283 1066819091 /nfs/dbraw/zinc/81/90/91/1066819091.db2.gz PZYFENFGOKSCJQ-QGZVFWFLSA-N 1 1 459.664 3.003 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301845346 1066819719 /nfs/dbraw/zinc/81/97/19/1066819719.db2.gz SNYCSZXZDAGKNI-SFHVURJKSA-N 1 1 473.691 3.393 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301846820 1066820643 /nfs/dbraw/zinc/82/06/43/1066820643.db2.gz LMYJAUGEFXTBGL-NHCUHLMSSA-N 1 1 468.646 3.391 20 0 JGADMO CC(C)(C)OC(=O)NCCCn1c(C2CCCC2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001302265794 1066821368 /nfs/dbraw/zinc/82/13/68/1066821368.db2.gz WKOQKSMBWFERSJ-DEOSSOPVSA-N 1 1 462.639 3.152 20 0 JGADMO COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001301848846 1066823071 /nfs/dbraw/zinc/82/30/71/1066823071.db2.gz SNVVSKRNVSSVOE-FYYLOGMGSA-N 1 1 471.646 3.482 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302268569 1066826499 /nfs/dbraw/zinc/82/64/99/1066826499.db2.gz CTXKQLCDAKYUBY-CZYKHXBRSA-N 1 1 463.667 3.375 20 0 JGADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CCOc2ccc(C(N)=O)cc2)cc1 ZINC001302269125 1066827003 /nfs/dbraw/zinc/82/70/03/1066827003.db2.gz KZTKIABZQQGAGL-IZZNHLLZSA-N 1 1 473.573 3.347 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(CCO)Cc2ccccc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302269371 1066827547 /nfs/dbraw/zinc/82/75/47/1066827547.db2.gz PMZDNTDJDZTLBQ-ZRBLBEILSA-N 1 1 471.646 3.121 20 0 JGADMO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cc(S(C)(=O)=O)ccc2N)cc1 ZINC001302270341 1066828525 /nfs/dbraw/zinc/82/85/25/1066828525.db2.gz UNRPXYQJONKLEI-UKILVPOCSA-N 1 1 479.602 3.079 20 0 JGADMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cc(S(C)(=O)=O)ccc2N)cc1 ZINC001302270341 1066828539 /nfs/dbraw/zinc/82/85/39/1066828539.db2.gz UNRPXYQJONKLEI-UKILVPOCSA-N 1 1 479.602 3.079 20 0 JGADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCCC3(O)CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC001302270842 1066829144 /nfs/dbraw/zinc/82/91/44/1066829144.db2.gz WXLXOEICUODSMM-VXKWHMMOSA-N 1 1 451.611 3.447 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001301852432 1066829594 /nfs/dbraw/zinc/82/95/94/1066829594.db2.gz DHHYBBJOVYNHTN-JOCHJYFZSA-N 1 1 482.673 3.317 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302271994 1066830779 /nfs/dbraw/zinc/83/07/79/1066830779.db2.gz FNQQZMUDRQINFH-XWSJACJDSA-N 1 1 489.583 3.280 20 0 JGADMO COCCn1cc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC001301853134 1066830790 /nfs/dbraw/zinc/83/07/90/1066830790.db2.gz KAXVXGSZNPXBIY-XUZZJYLKSA-N 1 1 497.692 3.011 20 0 JGADMO CC(C)(C)OC(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001302274920 1066838270 /nfs/dbraw/zinc/83/82/70/1066838270.db2.gz ARNXAVVHVUXCNQ-XUVXKRRUSA-N 1 1 476.666 3.396 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001301860065 1066844912 /nfs/dbraw/zinc/84/49/12/1066844912.db2.gz YKZSWTFYFDTLDP-NRFANRHFSA-N 1 1 452.647 3.377 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301863233 1066850826 /nfs/dbraw/zinc/85/08/26/1066850826.db2.gz GHOTZMIPTMABSL-BVSLBCMMSA-N 1 1 460.667 3.383 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301872238 1066867556 /nfs/dbraw/zinc/86/75/56/1066867556.db2.gz LSSXAZQCSUUVSY-VWPQPMDRSA-N 1 1 486.636 3.469 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(Cl)nc2)C[C@H]1C ZINC001301873837 1066874208 /nfs/dbraw/zinc/87/42/08/1066874208.db2.gz AYCFSTVRMCEDEV-LJQANCHMSA-N 1 1 498.031 3.401 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(Cl)nc2)C[C@H]1C ZINC001301873837 1066874211 /nfs/dbraw/zinc/87/42/11/1066874211.db2.gz AYCFSTVRMCEDEV-LJQANCHMSA-N 1 1 498.031 3.401 20 0 JGADMO COCCN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001301874375 1066874674 /nfs/dbraw/zinc/87/46/74/1066874674.db2.gz HULPRYDOIHLMCL-XUZZJYLKSA-N 1 1 470.662 3.404 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C(C)C)CC2)C[C@H]1C ZINC001301874516 1066875605 /nfs/dbraw/zinc/87/56/05/1066875605.db2.gz MMFKCQAYIXGLRI-LJQANCHMSA-N 1 1 489.064 3.455 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC001301875199 1066876367 /nfs/dbraw/zinc/87/63/67/1066876367.db2.gz OWDAYWVQAREXTA-HXUWFJFHSA-N 1 1 451.619 3.161 20 0 JGADMO COCCN1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001301875971 1066877280 /nfs/dbraw/zinc/87/72/80/1066877280.db2.gz SQORGCOZAHKHFJ-XMMPIXPASA-N 1 1 454.663 3.472 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001301875443 1066877361 /nfs/dbraw/zinc/87/73/61/1066877361.db2.gz QTQLVMDCWNOFAM-GOSISDBHSA-N 1 1 464.655 3.132 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C2CC(C(C)(C)C)C2)C[C@H]1C ZINC001301876616 1066878143 /nfs/dbraw/zinc/87/81/43/1066878143.db2.gz GEHYNYXPAOFNIB-BZLGKWSOSA-N 1 1 463.667 3.473 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001301877438 1066879768 /nfs/dbraw/zinc/87/97/68/1066879768.db2.gz NCYXSTOVDRNZGK-AKIFATBCSA-N 1 1 471.646 3.476 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2cn[nH]c2)C[C@@H]1C ZINC001301877752 1066880206 /nfs/dbraw/zinc/88/02/06/1066880206.db2.gz RGYPSNCHLLAHPR-ZWKOTPCHSA-N 1 1 474.009 3.194 20 0 JGADMO COCCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301878205 1066881012 /nfs/dbraw/zinc/88/10/12/1066881012.db2.gz ULCFCRGXLJGVKG-FYYLOGMGSA-N 1 1 470.662 3.288 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001301878586 1066882271 /nfs/dbraw/zinc/88/22/71/1066882271.db2.gz CZEOLGHDLZLCNO-LJQANCHMSA-N 1 1 489.064 3.452 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2ccccc2)C[C@H]1C ZINC001301878539 1066882390 /nfs/dbraw/zinc/88/23/90/1066882390.db2.gz XXMMVVJUOSAEIQ-VRUMLPLGSA-N 1 1 471.646 3.279 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[N@H+](C)C(C)C)CC1 ZINC001301881256 1066887915 /nfs/dbraw/zinc/88/79/15/1066887915.db2.gz ZAKKAEJCLQILJO-UHFFFAOYSA-N 1 1 452.647 3.441 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC(=O)N(C)C)CC1 ZINC001301881411 1066888406 /nfs/dbraw/zinc/88/84/06/1066888406.db2.gz FSXQNHJPAWKFCR-UHFFFAOYSA-N 1 1 477.034 3.060 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001301881771 1066888495 /nfs/dbraw/zinc/88/84/95/1066888495.db2.gz ISPPVGUOTUXWDT-INDDNBPWSA-N 1 1 497.612 3.005 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001301881771 1066888505 /nfs/dbraw/zinc/88/85/05/1066888505.db2.gz ISPPVGUOTUXWDT-INDDNBPWSA-N 1 1 497.612 3.005 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccsc2)C[C@@H]1C ZINC001301882053 1066888993 /nfs/dbraw/zinc/88/89/93/1066888993.db2.gz KYPGUCISGAAGCY-HNNXBMFYSA-N 1 1 479.448 3.497 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCCO)C[C@@H]1C ZINC001301882036 1066889018 /nfs/dbraw/zinc/88/90/18/1066889018.db2.gz KUEATPWWJXXIDY-INIZCTEOSA-N 1 1 484.414 3.166 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001301881776 1066889084 /nfs/dbraw/zinc/88/90/84/1066889084.db2.gz ISPPVGUOTUXWDT-UYCLUKJHSA-N 1 1 497.612 3.005 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001301881776 1066889090 /nfs/dbraw/zinc/88/90/90/1066889090.db2.gz ISPPVGUOTUXWDT-UYCLUKJHSA-N 1 1 497.612 3.005 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccsc2)C[C@H]1C ZINC001301882055 1066889153 /nfs/dbraw/zinc/88/91/53/1066889153.db2.gz KYPGUCISGAAGCY-OAHLLOKOSA-N 1 1 479.448 3.497 20 0 JGADMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001301881946 1066889245 /nfs/dbraw/zinc/88/92/45/1066889245.db2.gz PHTFOTPBFWPODN-AVRDEDQJSA-N 1 1 459.537 3.272 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(F)(F)Br)CC1 ZINC001301882242 1066889753 /nfs/dbraw/zinc/88/97/53/1066889753.db2.gz MIMLQDRXWKHHBJ-UHFFFAOYSA-N 1 1 496.303 3.303 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOC(C)C)CC1 ZINC001301882318 1066889908 /nfs/dbraw/zinc/88/99/08/1066889908.db2.gz NOGWUAHSKIKOGL-UHFFFAOYSA-N 1 1 470.387 3.040 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001302303423 1066890309 /nfs/dbraw/zinc/89/03/09/1066890309.db2.gz GJZQPCMAICTOOF-XTJBDQBJSA-N 1 1 475.634 3.040 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCc1c(C)noc1C ZINC001302303609 1066890914 /nfs/dbraw/zinc/89/09/14/1066890914.db2.gz JXMTVGNEQQUBNA-FPOVZHCZSA-N 1 1 460.623 3.160 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(C)(C)C)C[C@H]1C ZINC001301885546 1066894197 /nfs/dbraw/zinc/89/41/97/1066894197.db2.gz JEPDPMMJHZVSMN-LJQANCHMSA-N 1 1 477.675 3.332 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301885868 1066895369 /nfs/dbraw/zinc/89/53/69/1066895369.db2.gz AQRYQJFMQLCFPB-NZQKXSOJSA-N 1 1 460.667 3.179 20 0 JGADMO CC(C)(C)OCc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)no1 ZINC001302306033 1066895668 /nfs/dbraw/zinc/89/56/68/1066895668.db2.gz IQRHPSRIYJAYTG-UHFFFAOYSA-N 1 1 487.649 3.063 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CCCS2)CC1 ZINC001301886112 1066895885 /nfs/dbraw/zinc/89/58/85/1066895885.db2.gz RVYNJTIWHCQUDG-KRWDZBQOSA-N 1 1 496.475 3.380 20 0 JGADMO COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001301886100 1066896052 /nfs/dbraw/zinc/89/60/52/1066896052.db2.gz RMPHSMOGSJJYNG-FCHUYYIVSA-N 1 1 470.662 3.375 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOc2ncccc2F)CC1 ZINC001301886608 1066897910 /nfs/dbraw/zinc/89/79/10/1066897910.db2.gz BROSEKATCDBVRA-UHFFFAOYSA-N 1 1 478.931 3.119 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2occc2C)CC1 ZINC001301886518 1066898058 /nfs/dbraw/zinc/89/80/58/1066898058.db2.gz AJCJDTOIBGLVGO-UHFFFAOYSA-N 1 1 469.586 3.459 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301887129 1066898925 /nfs/dbraw/zinc/89/89/25/1066898925.db2.gz NTGRMHFEHRYGMB-HYBUGGRVSA-N 1 1 468.646 3.393 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001301887127 1066898969 /nfs/dbraw/zinc/89/89/69/1066898969.db2.gz NTGRMHFEHRYGMB-GBXCKJPGSA-N 1 1 468.646 3.393 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001301887282 1066900306 /nfs/dbraw/zinc/90/03/06/1066900306.db2.gz IAWPTAPZAKYYQL-GOSISDBHSA-N 1 1 477.053 3.248 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001301888093 1066902565 /nfs/dbraw/zinc/90/25/65/1066902565.db2.gz LWQMFSFETUGQCI-XDHUDOTRSA-N 1 1 488.995 3.197 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001301888091 1066902625 /nfs/dbraw/zinc/90/26/25/1066902625.db2.gz LWQMFSFETUGQCI-OSPHWJPCSA-N 1 1 488.995 3.197 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCOC2)C[C@H]1C ZINC001301888234 1066903260 /nfs/dbraw/zinc/90/32/60/1066903260.db2.gz OVVNASSIOQTWLH-QZTJIDSGSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301888344 1066903586 /nfs/dbraw/zinc/90/35/86/1066903586.db2.gz MQCWLWZWYDLEJK-ZWKOTPCHSA-N 1 1 476.622 3.259 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301888342 1066903838 /nfs/dbraw/zinc/90/38/38/1066903838.db2.gz MQCWLWZWYDLEJK-QZTJIDSGSA-N 1 1 476.622 3.259 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888785 1066905013 /nfs/dbraw/zinc/90/50/13/1066905013.db2.gz PHIGIMWNLZFYPZ-REWPJTCUSA-N 1 1 491.080 3.112 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888785 1066905017 /nfs/dbraw/zinc/90/50/17/1066905017.db2.gz PHIGIMWNLZFYPZ-REWPJTCUSA-N 1 1 491.080 3.112 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301888789 1066905039 /nfs/dbraw/zinc/90/50/39/1066905039.db2.gz PITCBGNWZGEOTQ-UXHICEINSA-N 1 1 461.054 3.487 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001302311337 1066905098 /nfs/dbraw/zinc/90/50/98/1066905098.db2.gz HVLZJHVYLIRURP-BQJUDKOJSA-N 1 1 481.707 3.081 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCO2)C[C@@H]1C ZINC001301889120 1066906302 /nfs/dbraw/zinc/90/63/02/1066906302.db2.gz UHFSGRGYJUAKFK-PKOBYXMFSA-N 1 1 478.435 3.352 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2cccc(C)n2)C[C@H]1C ZINC001301889560 1066907971 /nfs/dbraw/zinc/90/79/71/1066907971.db2.gz BGSXTFGAHISTSI-HXUWFJFHSA-N 1 1 480.613 3.065 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001302312539 1066907950 /nfs/dbraw/zinc/90/79/50/1066907950.db2.gz VPCOKWVVTVNNCH-NNWRFLSQSA-N 1 1 476.691 3.145 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001301890095 1066909501 /nfs/dbraw/zinc/90/95/01/1066909501.db2.gz GTKJTWDWQFEHBV-UUOWRZLLSA-N 1 1 471.627 3.080 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301890649 1066910439 /nfs/dbraw/zinc/91/04/39/1066910439.db2.gz MOBJRWRXOHYBCC-KDURUIRLSA-N 1 1 487.718 3.354 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001301890991 1066910851 /nfs/dbraw/zinc/91/08/51/1066910851.db2.gz NQSDFBGWOONZRR-GGAORHGYSA-N 1 1 457.619 3.173 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301891681 1066912275 /nfs/dbraw/zinc/91/22/75/1066912275.db2.gz XEWROPQOIKRPOU-OYRHEFFESA-N 1 1 481.689 3.373 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001302315657 1066912661 /nfs/dbraw/zinc/91/26/61/1066912661.db2.gz MITQUZCAZKLAFO-IHPCNDPISA-N 1 1 489.583 3.424 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001302315659 1066912694 /nfs/dbraw/zinc/91/26/94/1066912694.db2.gz MITQUZCAZKLAFO-SXLOBPIMSA-N 1 1 489.583 3.424 20 0 JGADMO CCn1c(SCC(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)nnc1-c1ccccc1C ZINC001302316261 1066913412 /nfs/dbraw/zinc/91/34/12/1066913412.db2.gz DARDMGAPDKLYPX-UHFFFAOYSA-N 1 1 451.600 3.151 20 0 JGADMO CC(C)(C)S(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302316478 1066914254 /nfs/dbraw/zinc/91/42/54/1066914254.db2.gz UBXWNLAUVAXLKU-UHFFFAOYSA-N 1 1 496.077 3.113 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)COC)C[C@@H]1C ZINC001301893063 1066914351 /nfs/dbraw/zinc/91/43/51/1066914351.db2.gz ZYLIOCVMZCGDBI-IBGZPJMESA-N 1 1 452.603 3.323 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001301895554 1066915886 /nfs/dbraw/zinc/91/58/86/1066915886.db2.gz FAHUEEDQRVKEFT-KRWDZBQOSA-N 1 1 458.513 3.147 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(C)C)cc2)C[C@H]1C ZINC001301895558 1066916069 /nfs/dbraw/zinc/91/60/69/1066916069.db2.gz FANYGWDBSDNOML-HXUWFJFHSA-N 1 1 450.587 3.333 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001301895742 1066916298 /nfs/dbraw/zinc/91/62/98/1066916298.db2.gz HWEJNZBGKAQNLC-AWEZNQCLSA-N 1 1 466.483 3.045 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+](C)C2CCCCC2)CC1=O ZINC001301896432 1066919263 /nfs/dbraw/zinc/91/92/63/1066919263.db2.gz JTEKPFRPVLLAMX-UHFFFAOYSA-N 1 1 475.037 3.158 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2Cc2csc([C@H](C)OC)n2)C[C@@H]1C ZINC001301896653 1066920342 /nfs/dbraw/zinc/92/03/42/1066920342.db2.gz NTDZREZCAUKMIC-IRXDYDNUSA-N 1 1 474.606 3.453 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001301896744 1066920725 /nfs/dbraw/zinc/92/07/25/1066920725.db2.gz YDNMYMGYUDGYKB-KRWDZBQOSA-N 1 1 478.519 3.387 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001301897205 1066920860 /nfs/dbraw/zinc/92/08/60/1066920860.db2.gz UKAGJACTWYKYOG-BGYRXZFFSA-N 1 1 486.636 3.136 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001301898248 1066922426 /nfs/dbraw/zinc/92/24/26/1066922426.db2.gz JGUMZBZQQXTNCE-LJQANCHMSA-N 1 1 480.617 3.008 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001301898972 1066923631 /nfs/dbraw/zinc/92/36/31/1066923631.db2.gz AJLLINUBSZWGIM-OAHLLOKOSA-N 1 1 478.494 3.410 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC(C)C)nc2)C[C@@H]1C ZINC001301899018 1066923755 /nfs/dbraw/zinc/92/37/55/1066923755.db2.gz BEBZYEZMXMJFPR-FQEVSTJZSA-N 1 1 465.602 3.036 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001301900639 1066925690 /nfs/dbraw/zinc/92/56/90/1066925690.db2.gz AWKPGNPKGGETJC-NHCUHLMSSA-N 1 1 489.064 3.308 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C3CC3)n2CCc2ccc(OC)c(Br)c2)C[C@H]1C ZINC001301900788 1066926170 /nfs/dbraw/zinc/92/61/70/1066926170.db2.gz NXAJCSDKGFQPJI-MRXNPFEDSA-N 1 1 478.435 3.326 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001301902428 1066927664 /nfs/dbraw/zinc/92/76/64/1066927664.db2.gz WNFORSRCRTUOQA-UHFFFAOYSA-N 1 1 483.617 3.110 20 0 JGADMO C[NH+]1CCN(Cc2ccc(C(=O)N3CCCCC[C@H](NC(=O)OC(C)(C)C)C3)s2)CC1 ZINC001302331246 1066931562 /nfs/dbraw/zinc/93/15/62/1066931562.db2.gz RAOJUNZPUYZZOY-SFHVURJKSA-N 1 1 450.649 3.405 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC001301909464 1066933474 /nfs/dbraw/zinc/93/34/74/1066933474.db2.gz BSTMPKCAUNMSTJ-MRXNPFEDSA-N 1 1 455.525 3.422 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001301909719 1066933779 /nfs/dbraw/zinc/93/37/79/1066933779.db2.gz FZFODRLRRARBJD-IBGZPJMESA-N 1 1 463.070 3.267 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC001301910159 1066934529 /nfs/dbraw/zinc/93/45/29/1066934529.db2.gz UJHLIYIOIUEIPK-UHFFFAOYSA-N 1 1 455.582 3.008 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCc2ccccc2F)C[C@H]1C ZINC001301910451 1066934879 /nfs/dbraw/zinc/93/48/79/1066934879.db2.gz CHTWTUXQZYNQBS-WOJBJXKFSA-N 1 1 477.650 3.402 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSC(C)C)CC1 ZINC001301910492 1066935281 /nfs/dbraw/zinc/93/52/81/1066935281.db2.gz DBTNMTOMVXIVDK-HXUWFJFHSA-N 1 1 496.722 3.303 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001301911147 1066935685 /nfs/dbraw/zinc/93/56/85/1066935685.db2.gz HGFCLGKKMQHEGW-RCZVLFRGSA-N 1 1 498.672 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Cc2ccc(OC)cc2)C[C@@H]1C ZINC001301911957 1066937369 /nfs/dbraw/zinc/93/73/69/1066937369.db2.gz IVCPDOGGMUKHOC-FUPPJEDESA-N 1 1 471.646 3.216 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Cc2ccc(OC)cc2)C[C@H]1C ZINC001301911959 1066937577 /nfs/dbraw/zinc/93/75/77/1066937577.db2.gz IVCPDOGGMUKHOC-MQSCRBSSSA-N 1 1 471.646 3.216 20 0 JGADMO CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccsc2)CC1)C(F)(F)F ZINC001302339401 1066937940 /nfs/dbraw/zinc/93/79/40/1066937940.db2.gz WOSVWKUYKVEYMH-HNNXBMFYSA-N 1 1 456.538 3.201 20 0 JGADMO CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)C(F)(F)F ZINC001302340781 1066939272 /nfs/dbraw/zinc/93/92/72/1066939272.db2.gz IOJRAHPBQHNPRF-IBGZPJMESA-N 1 1 499.603 3.481 20 0 JGADMO CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)C(F)(F)F ZINC001302340781 1066939281 /nfs/dbraw/zinc/93/92/81/1066939281.db2.gz IOJRAHPBQHNPRF-IBGZPJMESA-N 1 1 499.603 3.481 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001301912583 1066939507 /nfs/dbraw/zinc/93/95/07/1066939507.db2.gz KTXNMJGUUZTWKY-PMVMPFDFSA-N 1 1 462.683 3.187 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCCC3)nc2)C[C@H]1C ZINC001301913203 1066940933 /nfs/dbraw/zinc/94/09/33/1066940933.db2.gz VAQCLTOLYVXGTH-OAQYLSRUSA-N 1 1 455.651 3.067 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2sc(C)nc2C)CC1 ZINC001301913058 1066940988 /nfs/dbraw/zinc/94/09/88/1066940988.db2.gz SNDBYJSGBYCXAE-UHFFFAOYSA-N 1 1 476.597 3.232 20 0 JGADMO CC(C)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001302344624 1066941826 /nfs/dbraw/zinc/94/18/26/1066941826.db2.gz ABLNZNGFTQFNFI-UHFFFAOYSA-N 1 1 499.468 3.280 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2ccccc2Cl)C[C@H]1C ZINC001301914113 1066943145 /nfs/dbraw/zinc/94/31/45/1066943145.db2.gz YTFFUBQMMOFBKF-WZONZLPQSA-N 1 1 450.027 3.195 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2cccc(C)c2)C[C@@H]1C ZINC001301914420 1066943960 /nfs/dbraw/zinc/94/39/60/1066943960.db2.gz POMQBMCNSHEMJC-XJUOHMSHSA-N 1 1 457.619 3.453 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001301915052 1066944848 /nfs/dbraw/zinc/94/48/48/1066944848.db2.gz RUTUSAZJUIUPMR-IBGZPJMESA-N 1 1 469.508 3.077 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCCc2ccccc2F)C[C@H]1C ZINC001301918273 1066947646 /nfs/dbraw/zinc/94/76/46/1066947646.db2.gz GKZCFHAEKGFLEV-HXUWFJFHSA-N 1 1 452.578 3.193 20 0 JGADMO CC(C)(O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302354510 1066948031 /nfs/dbraw/zinc/94/80/31/1066948031.db2.gz TXWMSSTXDVPVOZ-QGZVFWFLSA-N 1 1 478.435 3.027 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2cccc(C)c2)C[C@H]1C ZINC001301918345 1066948595 /nfs/dbraw/zinc/94/85/95/1066948595.db2.gz IJUBIOUGOXRTSL-FGZHOGPDSA-N 1 1 464.614 3.197 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001301918769 1066949100 /nfs/dbraw/zinc/94/91/00/1066949100.db2.gz COFAREMSNADGSV-ZJSXRUAMSA-N 1 1 459.610 3.228 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001301918768 1066949249 /nfs/dbraw/zinc/94/92/49/1066949249.db2.gz COFAREMSNADGSV-XUZZJYLKSA-N 1 1 459.610 3.228 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cc(C(C)(C)C)no2)C[C@H]1C ZINC001301919305 1066951195 /nfs/dbraw/zinc/95/11/95/1066951195.db2.gz IGTPIHNJTZJFMF-LJQANCHMSA-N 1 1 482.629 3.368 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301919718 1066951983 /nfs/dbraw/zinc/95/19/83/1066951983.db2.gz JZKUITKMRWOEES-ZJSXRUAMSA-N 1 1 484.689 3.155 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301919718 1066951989 /nfs/dbraw/zinc/95/19/89/1066951989.db2.gz JZKUITKMRWOEES-ZJSXRUAMSA-N 1 1 484.689 3.155 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001301919699 1066952150 /nfs/dbraw/zinc/95/21/50/1066952150.db2.gz JWPCRGZJEDRTKE-QGZVFWFLSA-N 1 1 488.986 3.173 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301919709 1066952249 /nfs/dbraw/zinc/95/22/49/1066952249.db2.gz JZKUITKMRWOEES-QPPBQGQZSA-N 1 1 484.689 3.155 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301919709 1066952261 /nfs/dbraw/zinc/95/22/61/1066952261.db2.gz JZKUITKMRWOEES-QPPBQGQZSA-N 1 1 484.689 3.155 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919712 1066952304 /nfs/dbraw/zinc/95/23/04/1066952304.db2.gz JZKUITKMRWOEES-URXFXBBRSA-N 1 1 484.689 3.155 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919712 1066952317 /nfs/dbraw/zinc/95/23/17/1066952317.db2.gz JZKUITKMRWOEES-URXFXBBRSA-N 1 1 484.689 3.155 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCCS2)C[C@H]1C ZINC001301920041 1066952758 /nfs/dbraw/zinc/95/27/58/1066952758.db2.gz MQDABUJNRHUNTE-CTNGQTDRSA-N 1 1 459.660 3.320 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2ccc(OC)cc2)CC1 ZINC001301920303 1066952889 /nfs/dbraw/zinc/95/28/89/1066952889.db2.gz XETYODWKWCYHQY-UHFFFAOYSA-N 1 1 484.670 3.389 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001302363461 1066953711 /nfs/dbraw/zinc/95/37/11/1066953711.db2.gz FTYQHABPHBUBSG-AZUAARDMSA-N 1 1 475.659 3.084 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(Cl)nc2)C[C@H]1C ZINC001301921672 1066956005 /nfs/dbraw/zinc/95/60/05/1066956005.db2.gz UPJYVJIAXWAXKP-GOSISDBHSA-N 1 1 471.005 3.131 20 0 JGADMO CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001302367074 1066956378 /nfs/dbraw/zinc/95/63/78/1066956378.db2.gz KJIFTWKHHRFKCY-LJQANCHMSA-N 1 1 465.017 3.236 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCOc2ccc(Cl)cn2)C[C@@H]1C ZINC001301923646 1066957566 /nfs/dbraw/zinc/95/75/66/1066957566.db2.gz RAJSQOIMUSPJNY-SFHVURJKSA-N 1 1 463.026 3.295 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001301923986 1066958056 /nfs/dbraw/zinc/95/80/56/1066958056.db2.gz QCUFBIHOWDMVMK-OFNKIYASSA-N 1 1 454.619 3.147 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001301926205 1066959375 /nfs/dbraw/zinc/95/93/75/1066959375.db2.gz BITPUOKAUJGWQN-OALUTQOASA-N 1 1 469.556 3.202 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOC(C)(C)C)C[C@@H]1C ZINC001301927181 1066960628 /nfs/dbraw/zinc/96/06/28/1066960628.db2.gz XXGZZJYDEVQRLP-FQEVSTJZSA-N 1 1 454.619 3.253 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2OCCC2(C)C)C[C@@H]1C ZINC001301927392 1066961878 /nfs/dbraw/zinc/96/18/78/1066961878.db2.gz DVTMNLBBBKNARQ-GMAHTHKFSA-N 1 1 471.646 3.446 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2OCCC2(C)C)C[C@@H]1C ZINC001301927393 1066962230 /nfs/dbraw/zinc/96/22/30/1066962230.db2.gz DVTMNLBBBKNARQ-JTHBVZDNSA-N 1 1 471.646 3.446 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCO[C@H](C)C2)C[C@@H]1C ZINC001301927528 1066962608 /nfs/dbraw/zinc/96/26/08/1066962608.db2.gz IQPRBKOIBKQSOS-BHDDXSALSA-N 1 1 457.619 3.138 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H]2CCOC2)C[C@@H]1C ZINC001301927594 1066963159 /nfs/dbraw/zinc/96/31/59/1066963159.db2.gz KDYOASACKIHPHN-FCHUYYIVSA-N 1 1 457.619 3.057 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nc(C)cs2)C[C@H]1C ZINC001301927947 1066964615 /nfs/dbraw/zinc/96/46/15/1066964615.db2.gz PTTCJLNXALHJBV-HXUWFJFHSA-N 1 1 470.643 3.444 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001301928008 1066965210 /nfs/dbraw/zinc/96/52/10/1066965210.db2.gz RHFRZPCGOQCHIQ-FCHUYYIVSA-N 1 1 457.619 3.057 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001301928011 1066965308 /nfs/dbraw/zinc/96/53/08/1066965308.db2.gz RHFRZPCGOQCHIQ-YADHBBJMSA-N 1 1 457.619 3.057 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2ccccn2)C[C@@H]1C ZINC001301928756 1066965652 /nfs/dbraw/zinc/96/56/52/1066965652.db2.gz XFFDCORIDIOZHB-QFIPXVFZSA-N 1 1 464.614 3.269 20 0 JGADMO CC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301929126 1066966243 /nfs/dbraw/zinc/96/62/43/1066966243.db2.gz CYQAPPKGCCGPDV-OFNKIYASSA-N 1 1 460.667 3.179 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCc2csc(C(C)(C)C)n2)C[C@@H]1C ZINC001301930557 1066968178 /nfs/dbraw/zinc/96/81/78/1066968178.db2.gz MGHFOOKENIDUAQ-PKOBYXMFSA-N 1 1 462.664 3.283 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(OC)CCC2)CC1 ZINC001301931594 1066969695 /nfs/dbraw/zinc/96/96/95/1066969695.db2.gz GEWMKCWSIVXAJH-FQEVSTJZSA-N 1 1 492.665 3.078 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301932553 1066971219 /nfs/dbraw/zinc/97/12/19/1066971219.db2.gz YOHPCDHQOCBMCQ-XSDIEEQYSA-N 1 1 462.683 3.064 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001301933460 1066972467 /nfs/dbraw/zinc/97/24/67/1066972467.db2.gz NHNKYJKRJQRLFT-FNAHDJPLSA-N 1 1 463.667 3.170 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC(F)(F)C2)C[C@@H]1C ZINC001301933529 1066973439 /nfs/dbraw/zinc/97/34/39/1066973439.db2.gz OXAXQDNHWCLRHG-OALUTQOASA-N 1 1 479.572 3.458 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001301934477 1066974913 /nfs/dbraw/zinc/97/49/13/1066974913.db2.gz ZFAWNJZXMPQWFH-VQTJNVASSA-N 1 1 494.681 3.180 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC2CC(F)(F)C2)C[C@H]1C ZINC001301934295 1066975019 /nfs/dbraw/zinc/97/50/19/1066975019.db2.gz XJODMKACWAWJMJ-QGZVFWFLSA-N 1 1 465.545 3.068 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001301936040 1066977850 /nfs/dbraw/zinc/97/78/50/1066977850.db2.gz CWLBYWCMCDGFPB-BHIFYINESA-N 1 1 468.646 3.105 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302402732 1066983004 /nfs/dbraw/zinc/98/30/04/1066983004.db2.gz YZRAVBDBZRXTLL-UHFFFAOYSA-N 1 1 482.673 3.270 20 0 JGADMO CC(=O)NCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001301939123 1066983710 /nfs/dbraw/zinc/98/37/10/1066983710.db2.gz ZNAQAVVCHXLMEQ-FQEVSTJZSA-N 1 1 493.077 3.051 20 0 JGADMO CC(=O)NCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001301939126 1066984137 /nfs/dbraw/zinc/98/41/37/1066984137.db2.gz ZNAQAVVCHXLMEQ-HXUWFJFHSA-N 1 1 493.077 3.051 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001301940861 1066987880 /nfs/dbraw/zinc/98/78/80/1066987880.db2.gz KYQHOLNKAPJNTJ-FGZHOGPDSA-N 1 1 488.702 3.415 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001301943052 1066992765 /nfs/dbraw/zinc/99/27/65/1066992765.db2.gz ANGOXKXXNXSAIX-AGILITTLSA-N 1 1 482.673 3.434 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302409706 1066993006 /nfs/dbraw/zinc/99/30/06/1066993006.db2.gz OOHICJNBNKDOFJ-NRFANRHFSA-N 1 1 489.064 3.450 20 0 JGADMO CO[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1OC ZINC001302409530 1066993106 /nfs/dbraw/zinc/99/31/06/1066993106.db2.gz JMEWAKSXAQOBNJ-ZYSHUDEJSA-N 1 1 464.408 3.042 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1OC ZINC001302421283 1067007403 /nfs/dbraw/zinc/00/74/03/1067007403.db2.gz ZOBRDXRIHPFIQG-PVTAMDAMSA-N 1 1 475.609 3.214 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001302422287 1067008939 /nfs/dbraw/zinc/00/89/39/1067008939.db2.gz YMWXAKPFDMXSRK-FQEVSTJZSA-N 1 1 453.635 3.346 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001302422537 1067009359 /nfs/dbraw/zinc/00/93/59/1067009359.db2.gz ORKVHPNBDZIHHQ-HSZRJFAPSA-N 1 1 484.645 3.262 20 0 JGADMO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1OC ZINC001302425097 1067010082 /nfs/dbraw/zinc/01/00/82/1067010082.db2.gz ARBVLAOAGVJJDW-ILWGZMRPSA-N 1 1 459.660 3.461 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCCO)CC2)C1 ZINC001303959257 1067013990 /nfs/dbraw/zinc/01/39/90/1067013990.db2.gz JFDAWKAWNDIVSX-UHFFFAOYSA-N 1 1 469.634 3.036 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001303959733 1067014226 /nfs/dbraw/zinc/01/42/26/1067014226.db2.gz NESLFIWPJZMFNG-QGZVFWFLSA-N 1 1 467.540 3.405 20 0 JGADMO CC1(C)CCC[N@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303960779 1067015303 /nfs/dbraw/zinc/01/53/03/1067015303.db2.gz XBHBBIXLSCRUPY-SJORKVTESA-N 1 1 477.597 3.081 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303960779 1067015315 /nfs/dbraw/zinc/01/53/15/1067015315.db2.gz XBHBBIXLSCRUPY-SJORKVTESA-N 1 1 477.597 3.081 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303962275 1067016235 /nfs/dbraw/zinc/01/62/35/1067016235.db2.gz GGIOPOYMSBYWME-QGZVFWFLSA-N 1 1 456.557 3.301 20 0 JGADMO CC1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001303963237 1067016718 /nfs/dbraw/zinc/01/67/18/1067016718.db2.gz RRWXBXXKHOVKLT-OAQYLSRUSA-N 1 1 489.064 3.477 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303963539 1067016958 /nfs/dbraw/zinc/01/69/58/1067016958.db2.gz WJCXBBVKGMXWNX-UHFFFAOYSA-N 1 1 468.646 3.366 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001302432849 1067022981 /nfs/dbraw/zinc/02/29/81/1067022981.db2.gz FQRPQSYMLMKDDL-DNQXCXABSA-N 1 1 481.689 3.373 20 0 JGADMO CC1(C)C[N@H+](CCn2c(-c3ccc(Br)cc3Cl)nnc2N2CCOCC2)CCO1 ZINC001303979310 1067027246 /nfs/dbraw/zinc/02/72/46/1067027246.db2.gz FYECZFGYTGEUIV-UHFFFAOYSA-N 1 1 484.826 3.308 20 0 JGADMO CC1(C)C[N@@H+](CCn2c(-c3ccc(Br)cc3Cl)nnc2N2CCOCC2)CCO1 ZINC001303979310 1067027256 /nfs/dbraw/zinc/02/72/56/1067027256.db2.gz FYECZFGYTGEUIV-UHFFFAOYSA-N 1 1 484.826 3.308 20 0 JGADMO CC1(C)COCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001303982078 1067030013 /nfs/dbraw/zinc/03/00/13/1067030013.db2.gz VLTXTGBUSRYQRA-UHFFFAOYSA-N 1 1 493.456 3.167 20 0 JGADMO CC1(C)COCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001303982078 1067030027 /nfs/dbraw/zinc/03/00/27/1067030027.db2.gz VLTXTGBUSRYQRA-UHFFFAOYSA-N 1 1 493.456 3.167 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001303993499 1067036634 /nfs/dbraw/zinc/03/66/34/1067036634.db2.gz XOKJMJWRTFNPHY-DEOSSOPVSA-N 1 1 461.582 3.112 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@]1(C)CCCS1 ZINC001303997242 1067039258 /nfs/dbraw/zinc/03/92/58/1067039258.db2.gz KHOHHGQYPYDTSY-NLFFAJNJSA-N 1 1 473.687 3.423 20 0 JGADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOCC(F)F)C1 ZINC001303998289 1067040561 /nfs/dbraw/zinc/04/05/61/1067040561.db2.gz QCQLANHWUFZGEN-QHCPKHFHSA-N 1 1 485.526 3.120 20 0 JGADMO CC1=C(Br)CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001303999010 1067041839 /nfs/dbraw/zinc/04/18/39/1067041839.db2.gz DDDOLZNRYPFEBW-INIZCTEOSA-N 1 1 465.440 3.125 20 0 JGADMO CC(C)C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302444326 1067042668 /nfs/dbraw/zinc/04/26/68/1067042668.db2.gz RAGCRGYHTXIMMR-VWNXMTODSA-N 1 1 482.673 3.435 20 0 JGADMO CC(C)C(=O)NCCCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001302444744 1067043592 /nfs/dbraw/zinc/04/35/92/1067043592.db2.gz DTFULQNQTLWABY-UHFFFAOYSA-N 1 1 479.604 3.354 20 0 JGADMO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001304005585 1067048007 /nfs/dbraw/zinc/04/80/07/1067048007.db2.gz GEMFHZNGFWVDOA-QHCPKHFHSA-N 1 1 486.661 3.134 20 0 JGADMO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001304006327 1067048926 /nfs/dbraw/zinc/04/89/26/1067048926.db2.gz QZCWWZHDBAXWSC-QFIPXVFZSA-N 1 1 486.661 3.134 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC001304010543 1067052524 /nfs/dbraw/zinc/05/25/24/1067052524.db2.gz KGXMSNDYGZPOMB-QHCPKHFHSA-N 1 1 491.640 3.389 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1C ZINC001304011478 1067054435 /nfs/dbraw/zinc/05/44/35/1067054435.db2.gz SSBRDYAIDMZUPU-PZJWPPBQSA-N 1 1 495.672 3.326 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001304012266 1067056117 /nfs/dbraw/zinc/05/61/17/1067056117.db2.gz COMRUYKUAWNFQR-NRFANRHFSA-N 1 1 465.602 3.459 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304015998 1067059511 /nfs/dbraw/zinc/05/95/11/1067059511.db2.gz SGDGZGJUYXZIEC-LVXARBLLSA-N 1 1 481.645 3.088 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC001304017237 1067060868 /nfs/dbraw/zinc/06/08/68/1067060868.db2.gz DGAKHOKGZMAEDK-UTKZUKDTSA-N 1 1 455.525 3.490 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(N)=O)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001304020387 1067064198 /nfs/dbraw/zinc/06/41/98/1067064198.db2.gz NMSYHJWCUNINPC-WIYYLYMNSA-N 1 1 468.646 3.469 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCC[N@H+](C)C(C)C)c1C ZINC001304023343 1067068427 /nfs/dbraw/zinc/06/84/27/1067068427.db2.gz LZBNCOBKVKOONM-LVXARBLLSA-N 1 1 468.646 3.482 20 0 JGADMO CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302467836 1067071366 /nfs/dbraw/zinc/07/13/66/1067071366.db2.gz CDXHGFMKCVLNAH-JOCHJYFZSA-N 1 1 475.641 3.137 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001304026013 1067072424 /nfs/dbraw/zinc/07/24/24/1067072424.db2.gz KTMQNFOGPKZXOH-UNMCSNQZSA-N 1 1 457.619 3.372 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2C[C@@H](C)C[NH+]2CCOCC2)c1C ZINC001304026253 1067073154 /nfs/dbraw/zinc/07/31/54/1067073154.db2.gz PLZHFWRQKQYSFI-SIKLNZKXSA-N 1 1 457.619 3.230 20 0 JGADMO CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001302471184 1067075194 /nfs/dbraw/zinc/07/51/94/1067075194.db2.gz VPNHGKUOPOBLSV-UYAOXDASSA-N 1 1 460.648 3.237 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001304028431 1067075511 /nfs/dbraw/zinc/07/55/11/1067075511.db2.gz FNIRQFHOFJHTNI-YADHBBJMSA-N 1 1 468.646 3.482 20 0 JGADMO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001302471377 1067075653 /nfs/dbraw/zinc/07/56/53/1067075653.db2.gz QXNTWBBOXHEMDI-GMAHTHKFSA-N 1 1 467.662 3.127 20 0 JGADMO CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001302477405 1067078793 /nfs/dbraw/zinc/07/87/93/1067078793.db2.gz APGNLOBKSZQURE-ACIOBRDBSA-N 1 1 468.646 3.391 20 0 JGADMO CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)CC1 ZINC001304031897 1067080870 /nfs/dbraw/zinc/08/08/70/1067080870.db2.gz NUDYMTLXDRLBDV-UHFFFAOYSA-N 1 1 463.424 3.315 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001302484811 1067084153 /nfs/dbraw/zinc/08/41/53/1067084153.db2.gz BWELPCAJCAMLAY-ZHRRBRCNSA-N 1 1 495.466 3.132 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302489860 1067090623 /nfs/dbraw/zinc/09/06/23/1067090623.db2.gz WLROHBBQKLVRAT-MBSDFSHPSA-N 1 1 492.462 3.273 20 0 JGADMO Cc1n[nH]cc1CCCn1c(-c2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304061882 1067105057 /nfs/dbraw/zinc/10/50/57/1067105057.db2.gz LMHKDYHLDWZRQB-HDICACEKSA-N 1 1 455.582 3.294 20 0 JGADMO Cc1n[nH]cc1CCCn1c(-c2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304061882 1067105064 /nfs/dbraw/zinc/10/50/64/1067105064.db2.gz LMHKDYHLDWZRQB-HDICACEKSA-N 1 1 455.582 3.294 20 0 JGADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001302505025 1067106849 /nfs/dbraw/zinc/10/68/49/1067106849.db2.gz WBOUUCOIGDLFRY-OAQYLSRUSA-N 1 1 490.656 3.244 20 0 JGADMO Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001304072261 1067116122 /nfs/dbraw/zinc/11/61/22/1067116122.db2.gz WXRMHFHOYWOVLG-IBGZPJMESA-N 1 1 458.676 3.222 20 0 JGADMO Cc1occc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304076254 1067120384 /nfs/dbraw/zinc/12/03/84/1067120384.db2.gz KTGDDJGHWZVIHF-HDICACEKSA-N 1 1 481.601 3.351 20 0 JGADMO Cc1occc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304076254 1067120392 /nfs/dbraw/zinc/12/03/92/1067120392.db2.gz KTGDDJGHWZVIHF-HDICACEKSA-N 1 1 481.601 3.351 20 0 JGADMO C[S@](=O)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001302511424 1067121846 /nfs/dbraw/zinc/12/18/46/1067121846.db2.gz SJMCTXHHWRMIDK-KATKFWMUSA-N 1 1 473.687 3.095 20 0 JGADMO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C2CCCCC2)cnn1C ZINC001304078922 1067123658 /nfs/dbraw/zinc/12/36/58/1067123658.db2.gz MIJOSEOBGHMCLY-VWLOTQADSA-N 1 1 473.666 3.262 20 0 JGADMO Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCC[C@@H](C)C2)cnn1C ZINC001304079602 1067124325 /nfs/dbraw/zinc/12/43/25/1067124325.db2.gz OUEBYSWIFBOPDG-OAHLLOKOSA-N 1 1 475.439 3.446 20 0 JGADMO Cc1ncsc1CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304087738 1067132223 /nfs/dbraw/zinc/13/22/23/1067132223.db2.gz FSQWYMGZHFYPGB-SOLBZPMBSA-N 1 1 459.664 3.387 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001302517702 1067136960 /nfs/dbraw/zinc/13/69/60/1067136960.db2.gz AYSJXUCJIRROPD-LVXARBLLSA-N 1 1 499.660 3.190 20 0 JGADMO Cc1c(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cnn1C ZINC001304097659 1067139387 /nfs/dbraw/zinc/13/93/87/1067139387.db2.gz WPUVMHDZNCLGRC-FQEVSTJZSA-N 1 1 484.674 3.068 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001304098043 1067139836 /nfs/dbraw/zinc/13/98/36/1067139836.db2.gz ITXWGQNQWNWZQJ-KDURUIRLSA-N 1 1 485.608 3.174 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ncccc2F)CC1)[NH+]1CCOCC1 ZINC001302522364 1067142180 /nfs/dbraw/zinc/14/21/80/1067142180.db2.gz FJYAHFNQLCKXIS-QFIPXVFZSA-N 1 1 487.668 3.474 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[NH+]1CCOCC1 ZINC001302523369 1067143990 /nfs/dbraw/zinc/14/39/90/1067143990.db2.gz JCKURAAPUTYYGJ-ISWFFZNKSA-N 1 1 489.686 3.250 20 0 JGADMO CC(C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1Nc1cnn(C)c1)[NH+]1CCOCC1 ZINC001302528505 1067156591 /nfs/dbraw/zinc/15/65/91/1067156591.db2.gz JMNCHIXWOMGLQG-HXUWFJFHSA-N 1 1 459.982 3.344 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302529516 1067159055 /nfs/dbraw/zinc/15/90/55/1067159055.db2.gz YVDWQHYSEOYIMX-PKTZIBPZSA-N 1 1 488.721 3.499 20 0 JGADMO Cc1nnsc1Cn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304126919 1067165694 /nfs/dbraw/zinc/16/56/94/1067165694.db2.gz YCIWQHKXWVGGBN-QHCPKHFHSA-N 1 1 477.679 3.084 20 0 JGADMO CS[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001302535773 1067166142 /nfs/dbraw/zinc/16/61/42/1067166142.db2.gz PVUVYOVLFAAXBZ-DVECYGJZSA-N 1 1 472.659 3.200 20 0 JGADMO Cc1c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cnn1C ZINC001304128557 1067166834 /nfs/dbraw/zinc/16/68/34/1067166834.db2.gz PVYKXCNBLSVLIG-FGZHOGPDSA-N 1 1 487.693 3.082 20 0 JGADMO Cc1c(Cl)cccc1Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C ZINC001304133737 1067171927 /nfs/dbraw/zinc/17/19/27/1067171927.db2.gz YADTXSHGZHVNPP-FQEVSTJZSA-N 1 1 459.038 3.329 20 0 JGADMO CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302545231 1067178979 /nfs/dbraw/zinc/17/89/79/1067178979.db2.gz HMIRPIRUIPHNGV-JQVVWYNYSA-N 1 1 456.660 3.076 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304140959 1067182922 /nfs/dbraw/zinc/18/29/22/1067182922.db2.gz VHPHADULWLAJFW-CJFMBICVSA-N 1 1 491.080 3.285 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304140959 1067182926 /nfs/dbraw/zinc/18/29/26/1067182926.db2.gz VHPHADULWLAJFW-CJFMBICVSA-N 1 1 491.080 3.285 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304144371 1067186448 /nfs/dbraw/zinc/18/64/48/1067186448.db2.gz OCHRERHTFCYCSB-YDLHNXBPSA-N 1 1 478.037 3.369 20 0 JGADMO CS[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001302557597 1067196950 /nfs/dbraw/zinc/19/69/50/1067196950.db2.gz HLPODBFGJBASOB-NRSPTQNISA-N 1 1 477.700 3.033 20 0 JGADMO CS[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001302557597 1067196954 /nfs/dbraw/zinc/19/69/54/1067196954.db2.gz HLPODBFGJBASOB-NRSPTQNISA-N 1 1 477.700 3.033 20 0 JGADMO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302560527 1067201264 /nfs/dbraw/zinc/20/12/64/1067201264.db2.gz ADDXYBRCUJHYTA-XLIONFOSSA-N 1 1 462.664 3.367 20 0 JGADMO CC(C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001302569264 1067208675 /nfs/dbraw/zinc/20/86/75/1067208675.db2.gz GUKREVAZHGGYDN-NHCUHLMSSA-N 1 1 480.579 3.375 20 0 JGADMO Cc1cc(C)cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001304162967 1067209785 /nfs/dbraw/zinc/20/97/85/1067209785.db2.gz CPSOKBCAHQGKRH-NHCUHLMSSA-N 1 1 488.702 3.058 20 0 JGADMO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302570953 1067210740 /nfs/dbraw/zinc/21/07/40/1067210740.db2.gz DHDIAYUZDNCBFG-YADHBBJMSA-N 1 1 490.718 3.330 20 0 JGADMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)ccc2OC)cc1 ZINC001302571211 1067210764 /nfs/dbraw/zinc/21/07/64/1067210764.db2.gz UBMKPHKRYJFLJD-PZJWPPBQSA-N 1 1 457.596 3.225 20 0 JGADMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)ccc2OC)cc1 ZINC001302571211 1067210766 /nfs/dbraw/zinc/21/07/66/1067210766.db2.gz UBMKPHKRYJFLJD-PZJWPPBQSA-N 1 1 457.596 3.225 20 0 JGADMO O=C(CCN1C(=O)CCc2cc(F)ccc21)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001304164893 1067211841 /nfs/dbraw/zinc/21/18/41/1067211841.db2.gz BDYMTAIEJBDYHL-UHFFFAOYSA-N 1 1 453.558 3.246 20 0 JGADMO O=C(c1cn2ccc(Br)cc2n1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001304166200 1067212753 /nfs/dbraw/zinc/21/27/53/1067212753.db2.gz UUBLOZQGSJAAOX-UHFFFAOYSA-N 1 1 457.372 3.462 20 0 JGADMO O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001304165416 1067212843 /nfs/dbraw/zinc/21/28/43/1067212843.db2.gz FYEVJFYVWYVDHB-HXUWFJFHSA-N 1 1 457.521 3.069 20 0 JGADMO CS[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577683 1067215641 /nfs/dbraw/zinc/21/56/41/1067215641.db2.gz KEHYFQDWJMOHAW-UNMCSNQZSA-N 1 1 489.734 3.282 20 0 JGADMO CS[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577681 1067215828 /nfs/dbraw/zinc/21/58/28/1067215828.db2.gz KEHYFQDWJMOHAW-IRLDBZIGSA-N 1 1 489.734 3.282 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccon3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304168823 1067216158 /nfs/dbraw/zinc/21/61/58/1067216158.db2.gz NNHPDLBEJUHJJW-QHCPKHFHSA-N 1 1 468.602 3.455 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001304171585 1067219676 /nfs/dbraw/zinc/21/96/76/1067219676.db2.gz SAUKTWHQHZMJMX-VXKWHMMOSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCOC(C)C)c1 ZINC001304172471 1067220699 /nfs/dbraw/zinc/22/06/99/1067220699.db2.gz YTSDLRQMYKUZGL-GGAORHGYSA-N 1 1 457.619 3.056 20 0 JGADMO CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001302587815 1067224680 /nfs/dbraw/zinc/22/46/80/1067224680.db2.gz GCOLYQUGIUUKNB-NHCUHLMSSA-N 1 1 458.676 3.200 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304178403 1067227689 /nfs/dbraw/zinc/22/76/89/1067227689.db2.gz IMDZHXLZNWOGIY-FYYLOGMGSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001304182972 1067233537 /nfs/dbraw/zinc/23/35/37/1067233537.db2.gz FUYKJMKJWTWMPD-OAQYLSRUSA-N 1 1 472.703 3.442 20 0 JGADMO C[NH+]1CCN(C2CCN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)CC2)CC1 ZINC001302597034 1067233908 /nfs/dbraw/zinc/23/39/08/1067233908.db2.gz OSVWWDKMOFZISE-UHFFFAOYSA-N 1 1 452.290 3.459 20 0 JGADMO Cc1cc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304189546 1067239593 /nfs/dbraw/zinc/23/95/93/1067239593.db2.gz NORNRUJIGJSOKU-RTBURBONSA-N 1 1 472.659 3.400 20 0 JGADMO Cc1cc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304189534 1067239610 /nfs/dbraw/zinc/23/96/10/1067239610.db2.gz NORNRUJIGJSOKU-MOPGFXCFSA-N 1 1 472.659 3.400 20 0 JGADMO CSC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@](C)([NH+]3CCOCC3)C2)CCOCC1 ZINC001302612355 1067246007 /nfs/dbraw/zinc/24/60/07/1067246007.db2.gz WORYWZDMUUKXNZ-QFIPXVFZSA-N 1 1 451.681 3.080 20 0 JGADMO Cc1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)no1 ZINC001304198564 1067248669 /nfs/dbraw/zinc/24/86/69/1067248669.db2.gz HKPWHKKTLIOWKY-IEBWSBKVSA-N 1 1 472.565 3.458 20 0 JGADMO CC(C)c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302619946 1067251783 /nfs/dbraw/zinc/25/17/83/1067251783.db2.gz SSLRVESJJRBPSB-UHFFFAOYSA-N 1 1 477.698 3.311 20 0 JGADMO CC(C)c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302619946 1067251791 /nfs/dbraw/zinc/25/17/91/1067251791.db2.gz SSLRVESJJRBPSB-UHFFFAOYSA-N 1 1 477.698 3.311 20 0 JGADMO CC(C)c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302619946 1067251795 /nfs/dbraw/zinc/25/17/95/1067251795.db2.gz SSLRVESJJRBPSB-UHFFFAOYSA-N 1 1 477.698 3.311 20 0 JGADMO Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)no1 ZINC001304207768 1067252867 /nfs/dbraw/zinc/25/28/67/1067252867.db2.gz CYRLHLCELYRAON-UHFFFAOYSA-N 1 1 465.646 3.384 20 0 JGADMO Cc1cccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304210561 1067254729 /nfs/dbraw/zinc/25/47/29/1067254729.db2.gz DOXIUTGNDVAHII-FCHUYYIVSA-N 1 1 454.619 3.017 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](COCc3ccccc3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302627292 1067257474 /nfs/dbraw/zinc/25/74/74/1067257474.db2.gz IOJANNBHDDBYHI-QHCPKHFHSA-N 1 1 454.663 3.471 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](COCc3ccccc3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302627292 1067257484 /nfs/dbraw/zinc/25/74/84/1067257484.db2.gz IOJANNBHDDBYHI-QHCPKHFHSA-N 1 1 454.663 3.471 20 0 JGADMO CC(C)c1nnc(N2CC[C@H](COCc3ccccc3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302627292 1067257490 /nfs/dbraw/zinc/25/74/90/1067257490.db2.gz IOJANNBHDDBYHI-QHCPKHFHSA-N 1 1 454.663 3.471 20 0 JGADMO CC(C)c1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001302628903 1067258931 /nfs/dbraw/zinc/25/89/31/1067258931.db2.gz LRMGYAPEGBFCGA-UHFFFAOYSA-N 1 1 459.660 3.327 20 0 JGADMO CSc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302631876 1067260084 /nfs/dbraw/zinc/26/00/84/1067260084.db2.gz FATQFBDEYPPGMV-GOSISDBHSA-N 1 1 494.731 3.278 20 0 JGADMO CC(C)c1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001302629530 1067260113 /nfs/dbraw/zinc/26/01/13/1067260113.db2.gz PKJQNCGZJODNPO-PZJWPPBQSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1cc(Cn2c(N3CCN(CC[N@H+](C)Cc4ccccc4)CC3)nnc2C(C)(C)C)no1 ZINC001304227260 1067265514 /nfs/dbraw/zinc/26/55/14/1067265514.db2.gz KFKKPKQFDQVFBU-UHFFFAOYSA-N 1 1 451.619 3.174 20 0 JGADMO Cc1cc(CN2CCN(c3nnc(CCc4ccccc4)n3CC[N@H+](C)C(C)C)CC2)no1 ZINC001304231201 1067268014 /nfs/dbraw/zinc/26/80/14/1067268014.db2.gz USEVPHMJHSMEQA-UHFFFAOYSA-N 1 1 451.619 3.022 20 0 JGADMO Cc1cc(F)cc2c1CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC001304233459 1067271815 /nfs/dbraw/zinc/27/18/15/1067271815.db2.gz DKYINOYMQSKXNC-DYESRHJHSA-N 1 1 492.665 3.019 20 0 JGADMO CSc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001302645271 1067274167 /nfs/dbraw/zinc/27/41/67/1067274167.db2.gz ITZKHUXFJPOIGU-OAQYLSRUSA-N 1 1 459.660 3.294 20 0 JGADMO Cc1cc(F)ccc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001304236498 1067274969 /nfs/dbraw/zinc/27/49/69/1067274969.db2.gz HARVNHLAQWVAEY-QFIPXVFZSA-N 1 1 491.677 3.427 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001302651783 1067278435 /nfs/dbraw/zinc/27/84/35/1067278435.db2.gz DQSPJIAYGPDRCS-NHCUHLMSSA-N 1 1 468.712 3.164 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304249340 1067284888 /nfs/dbraw/zinc/28/48/88/1067284888.db2.gz GBVVTZFUDBVESO-UHFFFAOYSA-N 1 1 450.587 3.275 20 0 JGADMO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302662282 1067289414 /nfs/dbraw/zinc/28/94/14/1067289414.db2.gz SCYGNCAVBSVXLM-UHFFFAOYSA-N 1 1 472.609 3.004 20 0 JGADMO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302662282 1067289420 /nfs/dbraw/zinc/28/94/20/1067289420.db2.gz SCYGNCAVBSVXLM-UHFFFAOYSA-N 1 1 472.609 3.004 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001302666287 1067293425 /nfs/dbraw/zinc/29/34/25/1067293425.db2.gz MXJIXUMYBMAFDP-CEWLAPEOSA-N 1 1 498.763 3.407 20 0 JGADMO Cc1ccc(C(=O)NC2CCN(c3nnc(C)n3CC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001304259499 1067293767 /nfs/dbraw/zinc/29/37/67/1067293767.db2.gz BLDYENHJIGTTBS-UHFFFAOYSA-N 1 1 452.628 3.487 20 0 JGADMO CC(C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302670614 1067296247 /nfs/dbraw/zinc/29/62/47/1067296247.db2.gz AXYCOOADRQBOGZ-UHFFFAOYSA-N 1 1 454.619 3.192 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC001304267456 1067299673 /nfs/dbraw/zinc/29/96/73/1067299673.db2.gz QWBYKRYLSOYQLC-AZUAARDMSA-N 1 1 456.610 3.417 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304269481 1067304068 /nfs/dbraw/zinc/30/40/68/1067304068.db2.gz YTZVXLUKRUCVLG-UHFFFAOYSA-N 1 1 493.656 3.286 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302678551 1067304314 /nfs/dbraw/zinc/30/43/14/1067304314.db2.gz OKOAVDPOHPNYCW-VXKWHMMOSA-N 1 1 458.676 3.223 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCOC(C)C)c1 ZINC001304271154 1067306293 /nfs/dbraw/zinc/30/62/93/1067306293.db2.gz GJQXNAUMSKSERA-NRFANRHFSA-N 1 1 457.619 3.235 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCOC(C)C)c1 ZINC001304271154 1067306304 /nfs/dbraw/zinc/30/63/04/1067306304.db2.gz GJQXNAUMSKSERA-NRFANRHFSA-N 1 1 457.619 3.235 20 0 JGADMO Cc1ccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCN(CCOC(C)C)CC2)[NH+](C)C)cc1 ZINC001304271849 1067307830 /nfs/dbraw/zinc/30/78/30/1067307830.db2.gz DIXKPKCZDBCSOC-DEOSSOPVSA-N 1 1 465.646 3.432 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001304272730 1067308620 /nfs/dbraw/zinc/30/86/20/1067308620.db2.gz MTWPFGCVSXAXQF-LJQANCHMSA-N 1 1 475.659 3.006 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCC(=O)N(C)C)c1 ZINC001304272752 1067309028 /nfs/dbraw/zinc/30/90/28/1067309028.db2.gz IVUSBVSMZRPHAZ-SFTDATJTSA-N 1 1 468.646 3.440 20 0 JGADMO CS[C@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C(C)C)C1 ZINC001302683925 1067309729 /nfs/dbraw/zinc/30/97/29/1067309729.db2.gz UIKKONSKJSLDDV-KRWDZBQOSA-N 1 1 450.678 3.332 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CC(F)(F)F)c1 ZINC001304273853 1067310207 /nfs/dbraw/zinc/31/02/07/1067310207.db2.gz QWJCTDPHMAROQB-KRWDZBQOSA-N 1 1 453.509 3.372 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CC(F)(F)F)c1 ZINC001304273853 1067310220 /nfs/dbraw/zinc/31/02/20/1067310220.db2.gz QWJCTDPHMAROQB-KRWDZBQOSA-N 1 1 453.509 3.372 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304274287 1067310932 /nfs/dbraw/zinc/31/09/32/1067310932.db2.gz OPLSDIFGCQRNNJ-NRFANRHFSA-N 1 1 498.672 3.067 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304274287 1067310944 /nfs/dbraw/zinc/31/09/44/1067310944.db2.gz OPLSDIFGCQRNNJ-NRFANRHFSA-N 1 1 498.672 3.067 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302688355 1067312830 /nfs/dbraw/zinc/31/28/30/1067312830.db2.gz BKWDQCFRMGSAKR-QHCPKHFHSA-N 1 1 484.689 3.085 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001302688564 1067313176 /nfs/dbraw/zinc/31/31/76/1067313176.db2.gz AWOLBFCYNSVFLI-GOTSBHOMSA-N 1 1 473.710 3.189 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC[NH+]2CCCCC2)c1 ZINC001304275981 1067313570 /nfs/dbraw/zinc/31/35/70/1067313570.db2.gz ZTQDHHFFFWLBRL-UHFFFAOYSA-N 1 1 475.659 3.010 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302689354 1067313948 /nfs/dbraw/zinc/31/39/48/1067313948.db2.gz LPHHVRYHFYJMJU-QFIPXVFZSA-N 1 1 488.080 3.102 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1cc(COC(C)(C)C)on1 ZINC001302690608 1067315968 /nfs/dbraw/zinc/31/59/68/1067315968.db2.gz UCJRTDWBZZKGPF-GOSISDBHSA-N 1 1 460.623 3.442 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001302691651 1067316758 /nfs/dbraw/zinc/31/67/58/1067316758.db2.gz ZCDHSOGVHZNPBI-SONWIMMPSA-N 1 1 485.673 3.415 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001302692173 1067317475 /nfs/dbraw/zinc/31/74/75/1067317475.db2.gz GXFPKTQSJXFBKT-WOJBJXKFSA-N 1 1 454.610 3.068 20 0 JGADMO CC(C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302691848 1067317588 /nfs/dbraw/zinc/31/75/88/1067317588.db2.gz GKKKOQGZRLDCJJ-QFIPXVFZSA-N 1 1 489.064 3.141 20 0 JGADMO CC(C)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CCCOC(F)(F)F ZINC001302692876 1067318240 /nfs/dbraw/zinc/31/82/40/1067318240.db2.gz PNRAACKQDMEUES-UHFFFAOYSA-N 1 1 469.508 3.421 20 0 JGADMO Cc1ncsc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001304279620 1067319527 /nfs/dbraw/zinc/31/95/27/1067319527.db2.gz YAUZPJOUXRASOX-PMACEKPBSA-N 1 1 488.683 3.193 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302695164 1067320345 /nfs/dbraw/zinc/32/03/45/1067320345.db2.gz XZDXYVCHIVKMAT-GCJKJVERSA-N 1 1 486.686 3.447 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302695630 1067321254 /nfs/dbraw/zinc/32/12/54/1067321254.db2.gz HTUYPUGBKCSBBP-QGZVFWFLSA-N 1 1 496.523 3.394 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302695630 1067321269 /nfs/dbraw/zinc/32/12/69/1067321269.db2.gz HTUYPUGBKCSBBP-QGZVFWFLSA-N 1 1 496.523 3.394 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302695630 1067321284 /nfs/dbraw/zinc/32/12/84/1067321284.db2.gz HTUYPUGBKCSBBP-QGZVFWFLSA-N 1 1 496.523 3.394 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2=CCCOC2)c1 ZINC001304281736 1067322690 /nfs/dbraw/zinc/32/26/90/1067322690.db2.gz GYDHCGUAPBCTCL-UHFFFAOYSA-N 1 1 469.630 3.368 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2=CCCOC2)c1 ZINC001304281736 1067322711 /nfs/dbraw/zinc/32/27/11/1067322711.db2.gz GYDHCGUAPBCTCL-UHFFFAOYSA-N 1 1 469.630 3.368 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302698435 1067323900 /nfs/dbraw/zinc/32/39/00/1067323900.db2.gz WZTVTQXAUVSPIS-RDJZCZTQSA-N 1 1 483.480 3.099 20 0 JGADMO CC(C)c1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302700156 1067324817 /nfs/dbraw/zinc/32/48/17/1067324817.db2.gz RKIIHNXSDNOPAP-NLFFAJNJSA-N 1 1 451.619 3.408 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(-c2cccc(C)n2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302700273 1067324917 /nfs/dbraw/zinc/32/49/17/1067324917.db2.gz FNLKGBJMYWENEJ-NRFANRHFSA-N 1 1 457.692 3.254 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304284492 1067326352 /nfs/dbraw/zinc/32/63/52/1067326352.db2.gz UJWQAJGXBJGKMV-BDTNDASRSA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304286591 1067328715 /nfs/dbraw/zinc/32/87/15/1067328715.db2.gz ARXNQWUIGNHFIO-RUZDIDTESA-N 1 1 489.686 3.219 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302708179 1067330086 /nfs/dbraw/zinc/33/00/86/1067330086.db2.gz VRZUJCCRVFQIQA-FCEUIQTBSA-N 1 1 491.727 3.423 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001304289107 1067333645 /nfs/dbraw/zinc/33/36/45/1067333645.db2.gz NYCSMFOCPMKHOX-UHFFFAOYSA-N 1 1 494.644 3.309 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001304290512 1067337411 /nfs/dbraw/zinc/33/74/11/1067337411.db2.gz GNGDXSSTTIZYRZ-YADHBBJMSA-N 1 1 457.619 3.056 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302722133 1067337663 /nfs/dbraw/zinc/33/76/63/1067337663.db2.gz GRVASZOZEWKCMU-KURKYZTESA-N 1 1 492.690 3.471 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(CCOc4ccccc4Cl)C3)C2)cc1 ZINC001302723898 1067339062 /nfs/dbraw/zinc/33/90/62/1067339062.db2.gz NTQCFJYEICEKBX-RTWAWAEBSA-N 1 1 455.986 3.266 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304292118 1067340676 /nfs/dbraw/zinc/34/06/76/1067340676.db2.gz VPUUERLUDSPLBI-SQJMNOBHSA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304293547 1067342577 /nfs/dbraw/zinc/34/25/77/1067342577.db2.gz ILQDRMZKWTZVCS-MZYLBHOOSA-N 1 1 471.646 3.038 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302727546 1067343262 /nfs/dbraw/zinc/34/32/62/1067343262.db2.gz RCASBGJVLUBXDU-SIKLNZKXSA-N 1 1 459.660 3.240 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302727545 1067343325 /nfs/dbraw/zinc/34/33/25/1067343325.db2.gz RCASBGJVLUBXDU-KNQAVFIVSA-N 1 1 459.660 3.240 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001302728402 1067344470 /nfs/dbraw/zinc/34/44/70/1067344470.db2.gz ZSLNOPZKPVOXSE-HOYKHHGWSA-N 1 1 496.722 3.037 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC001304296359 1067345683 /nfs/dbraw/zinc/34/56/83/1067345683.db2.gz OOQUHFFRBSNJQI-JOCHJYFZSA-N 1 1 494.640 3.202 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC001304296360 1067345895 /nfs/dbraw/zinc/34/58/95/1067345895.db2.gz OOQUHFFRBSNJQI-QFIPXVFZSA-N 1 1 494.640 3.202 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001304305060 1067353193 /nfs/dbraw/zinc/35/31/93/1067353193.db2.gz YEGMFFRPKTVOBU-QRQLOZEOSA-N 1 1 476.622 3.305 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001304305060 1067353203 /nfs/dbraw/zinc/35/32/03/1067353203.db2.gz YEGMFFRPKTVOBU-QRQLOZEOSA-N 1 1 476.622 3.305 20 0 JGADMO CSCCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302755061 1067360222 /nfs/dbraw/zinc/36/02/22/1067360222.db2.gz USCQDPLLRXDIKQ-ZCNNSNEGSA-N 1 1 494.706 3.103 20 0 JGADMO CSCCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302755061 1067360235 /nfs/dbraw/zinc/36/02/35/1067360235.db2.gz USCQDPLLRXDIKQ-ZCNNSNEGSA-N 1 1 494.706 3.103 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CCCCCCO)o1 ZINC001304314258 1067361603 /nfs/dbraw/zinc/36/16/03/1067361603.db2.gz NOSVQKXNAQDBFC-UHFFFAOYSA-N 1 1 458.651 3.394 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001304314770 1067362423 /nfs/dbraw/zinc/36/24/23/1067362423.db2.gz UUZRDLDGPSOIAL-KDURUIRLSA-N 1 1 492.690 3.075 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC001304315927 1067363658 /nfs/dbraw/zinc/36/36/58/1067363658.db2.gz GVBLJRULGQKMIA-NRFANRHFSA-N 1 1 471.627 3.358 20 0 JGADMO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001302762180 1067363661 /nfs/dbraw/zinc/36/36/61/1067363661.db2.gz PXJOPQBOCCUYIO-FPOVZHCZSA-N 1 1 451.681 3.317 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1Br ZINC001304316413 1067363911 /nfs/dbraw/zinc/36/39/11/1067363911.db2.gz AOBXGWGBIRWIJW-QHCPKHFHSA-N 1 1 489.462 3.415 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001304316691 1067364179 /nfs/dbraw/zinc/36/41/79/1067364179.db2.gz NSKVIZXFQXUMLL-UHFFFAOYSA-N 1 1 498.491 3.370 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001304318983 1067366552 /nfs/dbraw/zinc/36/65/52/1067366552.db2.gz VCOCYCRWGPAWMP-AREMUKBSSA-N 1 1 486.661 3.168 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001304318983 1067366561 /nfs/dbraw/zinc/36/65/61/1067366561.db2.gz VCOCYCRWGPAWMP-AREMUKBSSA-N 1 1 486.661 3.168 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)o1 ZINC001304320121 1067367508 /nfs/dbraw/zinc/36/75/08/1067367508.db2.gz IKTUBLBXJZZRHX-FQEVSTJZSA-N 1 1 486.661 3.336 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001302769351 1067367770 /nfs/dbraw/zinc/36/77/70/1067367770.db2.gz GWKIMOQFXGLSOK-RXVVDRJESA-N 1 1 475.037 3.207 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001302770925 1067368993 /nfs/dbraw/zinc/36/89/93/1067368993.db2.gz SNLLRTPDTFRNLN-IBGZPJMESA-N 1 1 495.466 3.018 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001302770925 1067369006 /nfs/dbraw/zinc/36/90/06/1067369006.db2.gz SNLLRTPDTFRNLN-IBGZPJMESA-N 1 1 495.466 3.018 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCOCC2)CCO1 ZINC001302773062 1067370806 /nfs/dbraw/zinc/37/08/06/1067370806.db2.gz RBSMTVAZWPFHHB-HXUWFJFHSA-N 1 1 451.974 3.321 20 0 JGADMO Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC001304322996 1067370767 /nfs/dbraw/zinc/37/07/67/1067370767.db2.gz QSOHMXCOKNOKPG-IBGZPJMESA-N 1 1 484.567 3.158 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCS(=O)(=O)c2ccccc2)o1 ZINC001304324129 1067372544 /nfs/dbraw/zinc/37/25/44/1067372544.db2.gz DEJWSWLJCUVXIE-UHFFFAOYSA-N 1 1 457.600 3.098 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001304324398 1067372914 /nfs/dbraw/zinc/37/29/14/1067372914.db2.gz SWSOMRGZEKVQJF-IAGOWNOFSA-N 1 1 475.435 3.167 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001302775942 1067373170 /nfs/dbraw/zinc/37/31/70/1067373170.db2.gz CFRMOFJCSDOPKR-NJYVYQBISA-N 1 1 478.707 3.040 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001304325473 1067374355 /nfs/dbraw/zinc/37/43/55/1067374355.db2.gz VIYQFPRZCIYLHR-FGZHOGPDSA-N 1 1 488.677 3.281 20 0 JGADMO Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001304327171 1067376038 /nfs/dbraw/zinc/37/60/38/1067376038.db2.gz FDSGBONUUNCWEN-OAHLLOKOSA-N 1 1 466.449 3.067 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001302782271 1067376258 /nfs/dbraw/zinc/37/62/58/1067376258.db2.gz UPRJMQBIZHJJGQ-QHCPKHFHSA-N 1 1 469.678 3.335 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCS1 ZINC001302783756 1067377035 /nfs/dbraw/zinc/37/70/35/1067377035.db2.gz QKRVRRVRLOSTAW-FGZHOGPDSA-N 1 1 458.676 3.079 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302787464 1067379403 /nfs/dbraw/zinc/37/94/03/1067379403.db2.gz HNRNUEUVJGGLEC-IFMALSPDSA-N 1 1 478.037 3.219 20 0 JGADMO CSCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302800272 1067389365 /nfs/dbraw/zinc/38/93/65/1067389365.db2.gz BXDNBJVTBYBDIW-HXUWFJFHSA-N 1 1 472.659 3.059 20 0 JGADMO CSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001302801557 1067390480 /nfs/dbraw/zinc/39/04/80/1067390480.db2.gz YAMXCVMLOQZIBF-UHFFFAOYSA-N 1 1 457.629 3.062 20 0 JGADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001304351731 1067392813 /nfs/dbraw/zinc/39/28/13/1067392813.db2.gz QBOFOWNFDLJWEI-AZUAARDMSA-N 1 1 488.683 3.017 20 0 JGADMO CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(C)(C)O ZINC001304351840 1067393271 /nfs/dbraw/zinc/39/32/71/1067393271.db2.gz GABVAPZHJPPMNH-YTFSRNRJSA-N 1 1 467.610 3.435 20 0 JGADMO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001302814614 1067401389 /nfs/dbraw/zinc/40/13/89/1067401389.db2.gz XXSQTNOFCCFXSM-GIVPXCGWSA-N 1 1 456.660 3.472 20 0 JGADMO CC(C)C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001302819498 1067407115 /nfs/dbraw/zinc/40/71/15/1067407115.db2.gz BRQVDSPZDONSEG-GPXOXTDOSA-N 1 1 485.696 3.413 20 0 JGADMO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001302822063 1067410967 /nfs/dbraw/zinc/41/09/67/1067410967.db2.gz LEVOHRHUEWWODX-PKTZIBPZSA-N 1 1 474.719 3.455 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3COC(C)(C)OC3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001304375478 1067415803 /nfs/dbraw/zinc/41/58/03/1067415803.db2.gz MQXNHJJNQDSAHY-HXUWFJFHSA-N 1 1 484.645 3.467 20 0 JGADMO C[C@@H](C1CCCCC1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001302826001 1067416104 /nfs/dbraw/zinc/41/61/04/1067416104.db2.gz CYOSWFMDAPZOMO-BVZFJXPGSA-N 1 1 489.064 3.333 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001304375786 1067416173 /nfs/dbraw/zinc/41/61/73/1067416173.db2.gz PUJJDXCIIFGUTR-XMSQKQJNSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2CC[N@@H+]2CC=CCC2)cc1C ZINC001304375710 1067416286 /nfs/dbraw/zinc/41/62/86/1067416286.db2.gz PBSDKFVLDIGLJT-UHFFFAOYSA-N 1 1 452.603 3.272 20 0 JGADMO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001302827838 1067417632 /nfs/dbraw/zinc/41/76/32/1067417632.db2.gz WKTMIRIIVBNENI-INDMIFKZSA-N 1 1 464.680 3.475 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304376881 1067419001 /nfs/dbraw/zinc/41/90/01/1067419001.db2.gz BXYVFJVHLLBMLN-FQEVSTJZSA-N 1 1 495.672 3.325 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001304380318 1067427398 /nfs/dbraw/zinc/42/73/98/1067427398.db2.gz YQANWXXMIKFSIW-AREMUKBSSA-N 1 1 466.630 3.396 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCC[NH+]2CCOCC2)cc1C ZINC001304380357 1067427802 /nfs/dbraw/zinc/42/78/02/1067427802.db2.gz YZVPSUSCHPJHNG-NQIIRXRSSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCCOCC(C)C)cc1C ZINC001304380389 1067427846 /nfs/dbraw/zinc/42/78/46/1067427846.db2.gz ZIBXOHKGXBCSGR-UPVQGACJSA-N 1 1 498.672 3.367 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001304383155 1067431964 /nfs/dbraw/zinc/43/19/64/1067431964.db2.gz HHPQOMDDZZPAMW-JOCHJYFZSA-N 1 1 453.635 3.018 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001304384029 1067433942 /nfs/dbraw/zinc/43/39/42/1067433942.db2.gz NZBLYFUGDDXRNW-AREMUKBSSA-N 1 1 486.661 3.101 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1F ZINC001302850823 1067435606 /nfs/dbraw/zinc/43/56/06/1067435606.db2.gz RXWBPTVKKCPVMU-XPGWFJOJSA-N 1 1 480.991 3.475 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)C)CC1 ZINC001304384834 1067436246 /nfs/dbraw/zinc/43/62/46/1067436246.db2.gz TYGQSJCSPHWQMN-UHFFFAOYSA-N 1 1 478.645 3.476 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCN2CCOCC2)cc1C ZINC001304384920 1067436547 /nfs/dbraw/zinc/43/65/47/1067436547.db2.gz WCQPPWJMSRZVNZ-UHFFFAOYSA-N 1 1 497.688 3.180 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001304384912 1067436593 /nfs/dbraw/zinc/43/65/93/1067436593.db2.gz VSAYJWCZZNZMDJ-SFTDATJTSA-N 1 1 481.645 3.113 20 0 JGADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001302853896 1067438211 /nfs/dbraw/zinc/43/82/11/1067438211.db2.gz ZDSIEBVLMPRQKA-MQSCRBSSSA-N 1 1 450.501 3.311 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001302857793 1067440609 /nfs/dbraw/zinc/44/06/09/1067440609.db2.gz ZEKPMRQSVFCLDK-UHFFFAOYSA-N 1 1 491.990 3.478 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001302857793 1067440610 /nfs/dbraw/zinc/44/06/10/1067440610.db2.gz ZEKPMRQSVFCLDK-UHFFFAOYSA-N 1 1 491.990 3.478 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@H]4CCOC4)n3CCC[N@H+](C)C(C)C)C2)nc1 ZINC001304386993 1067441815 /nfs/dbraw/zinc/44/18/15/1067441815.db2.gz MYKLRHUFVPULIO-RTWAWAEBSA-N 1 1 469.634 3.071 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C[C@@H]1F ZINC001302859809 1067442474 /nfs/dbraw/zinc/44/24/74/1067442474.db2.gz QDYNWEZDTCHEFS-AQNXPRMDSA-N 1 1 482.645 3.203 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4cccnc4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001304387341 1067442582 /nfs/dbraw/zinc/44/25/82/1067442582.db2.gz QAMGBPZCZORFEX-NRFANRHFSA-N 1 1 462.602 3.239 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001304387922 1067444582 /nfs/dbraw/zinc/44/45/82/1067444582.db2.gz ITGSMZGGNXSOQB-OAQYLSRUSA-N 1 1 462.602 3.239 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001302866733 1067447741 /nfs/dbraw/zinc/44/77/41/1067447741.db2.gz OSUKNRIERZITNN-HXUWFJFHSA-N 1 1 499.660 3.287 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Br)s2)n1CC(C)(C)O ZINC001302867799 1067448408 /nfs/dbraw/zinc/44/84/08/1067448408.db2.gz XUVGYUVWUGPIGQ-CQSZACIVSA-N 1 1 484.464 3.230 20 0 JGADMO Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)nc1 ZINC001304389685 1067449367 /nfs/dbraw/zinc/44/93/67/1067449367.db2.gz QDWIOKVKPZNACR-UHFFFAOYSA-N 1 1 469.634 3.071 20 0 JGADMO Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)nc1 ZINC001304389685 1067449369 /nfs/dbraw/zinc/44/93/69/1067449369.db2.gz QDWIOKVKPZNACR-UHFFFAOYSA-N 1 1 469.634 3.071 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302871702 1067453786 /nfs/dbraw/zinc/45/37/86/1067453786.db2.gz DOSOKDDEANSBKT-XMMPIXPASA-N 1 1 495.716 3.240 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001304395259 1067456955 /nfs/dbraw/zinc/45/69/55/1067456955.db2.gz HGDHAFMVIJDCRW-HSZRJFAPSA-N 1 1 498.672 3.033 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001304398010 1067460107 /nfs/dbraw/zinc/46/01/07/1067460107.db2.gz PHUNSPYZHGDIGG-DEOSSOPVSA-N 1 1 481.645 3.201 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001304398748 1067460999 /nfs/dbraw/zinc/46/09/99/1067460999.db2.gz UOEOGPWJRRYXBT-JOCHJYFZSA-N 1 1 481.645 3.345 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H](C)O1 ZINC001302879166 1067461020 /nfs/dbraw/zinc/46/10/20/1067461020.db2.gz LBCJEXQGRDJBMD-JZXOWHBKSA-N 1 1 451.974 3.198 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001302880561 1067461935 /nfs/dbraw/zinc/46/19/35/1067461935.db2.gz UDJMUNGGYMPMEK-FQEVSTJZSA-N 1 1 478.682 3.329 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001302880562 1067462037 /nfs/dbraw/zinc/46/20/37/1067462037.db2.gz UDJMUNGGYMPMEK-HXUWFJFHSA-N 1 1 478.682 3.329 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001304399639 1067462816 /nfs/dbraw/zinc/46/28/16/1067462816.db2.gz HICWXNQSERHKQC-GGAORHGYSA-N 1 1 457.619 3.139 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(COc2ccc(C)cc2)n1CCC[NH+]1CCOCC1 ZINC001304400655 1067463763 /nfs/dbraw/zinc/46/37/63/1067463763.db2.gz QLFOEVDDNFRVMY-UHFFFAOYSA-N 1 1 456.616 3.289 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001302883268 1067465330 /nfs/dbraw/zinc/46/53/30/1067465330.db2.gz QYJKUAQFXGXTDJ-HDICACEKSA-N 1 1 478.588 3.186 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001302883268 1067465333 /nfs/dbraw/zinc/46/53/33/1067465333.db2.gz QYJKUAQFXGXTDJ-HDICACEKSA-N 1 1 478.588 3.186 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001302883268 1067465338 /nfs/dbraw/zinc/46/53/38/1067465338.db2.gz QYJKUAQFXGXTDJ-HDICACEKSA-N 1 1 478.588 3.186 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001304403763 1067466280 /nfs/dbraw/zinc/46/62/80/1067466280.db2.gz KRPYLMRNEBWDEF-UHFFFAOYSA-N 1 1 495.546 3.236 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302886037 1067466701 /nfs/dbraw/zinc/46/67/01/1067466701.db2.gz FTGQGJXXCYQTKZ-DEOSSOPVSA-N 1 1 495.672 3.132 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCN1C(=O)OC(C)(C)C ZINC001302888005 1067467807 /nfs/dbraw/zinc/46/78/07/1067467807.db2.gz WMJGDZXZTKRALT-PZJWPPBQSA-N 1 1 476.666 3.228 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001304406107 1067470140 /nfs/dbraw/zinc/47/01/40/1067470140.db2.gz AUKIBFLSVVZXPT-LVXARBLLSA-N 1 1 468.646 3.296 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302890549 1067470249 /nfs/dbraw/zinc/47/02/49/1067470249.db2.gz DSGFOMASKXGJGD-VQTJNVASSA-N 1 1 476.666 3.492 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001304406601 1067470534 /nfs/dbraw/zinc/47/05/34/1067470534.db2.gz SURISGIXWKTTGW-VXKWHMMOSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001304407226 1067472057 /nfs/dbraw/zinc/47/20/57/1067472057.db2.gz YYMRTCXOBYZVPR-YADHBBJMSA-N 1 1 468.646 3.200 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001302892299 1067472520 /nfs/dbraw/zinc/47/25/20/1067472520.db2.gz FHKGOLGVODEMBM-FQEVSTJZSA-N 1 1 476.666 3.035 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC(=O)N1CCCCC1 ZINC001302892755 1067473460 /nfs/dbraw/zinc/47/34/60/1067473460.db2.gz MBTNACKDDPVDBI-SZPZYZBQSA-N 1 1 474.694 3.205 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCOC(C)(C)C)cc1 ZINC001304409041 1067474433 /nfs/dbraw/zinc/47/44/33/1067474433.db2.gz XDFILFQGJRSSKB-VWLOTQADSA-N 1 1 457.619 3.282 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001304410467 1067476583 /nfs/dbraw/zinc/47/65/83/1067476583.db2.gz FNEHTIYTTGMNAU-XMMPIXPASA-N 1 1 484.689 3.443 20 0 JGADMO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302896693 1067477865 /nfs/dbraw/zinc/47/78/65/1067477865.db2.gz NALBOLZPOGKDFM-NRFANRHFSA-N 1 1 467.662 3.381 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001302898298 1067479538 /nfs/dbraw/zinc/47/95/38/1067479538.db2.gz AKAIIWJYOWZSBO-KDURUIRLSA-N 1 1 477.053 3.150 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302900191 1067482970 /nfs/dbraw/zinc/48/29/70/1067482970.db2.gz SFDOVUPOIDTRBG-KNQAVFIVSA-N 1 1 453.635 3.037 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001304415618 1067486777 /nfs/dbraw/zinc/48/67/77/1067486777.db2.gz GFYXJFBZNLRQLF-UHFFFAOYSA-N 1 1 451.619 3.485 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(-c4ccccc4Cl)n3CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001302902207 1067486966 /nfs/dbraw/zinc/48/69/66/1067486966.db2.gz YUSLECDAZMYNFF-HDICACEKSA-N 1 1 475.037 3.012 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccccc2F)n1CCOCC(F)F ZINC001302903248 1067488095 /nfs/dbraw/zinc/48/80/95/1067488095.db2.gz WHVWFLIAVXJFFS-INIZCTEOSA-N 1 1 453.509 3.055 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001304416760 1067489254 /nfs/dbraw/zinc/48/92/54/1067489254.db2.gz OVCDFULQWDBEGW-OAQYLSRUSA-N 1 1 457.619 3.200 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3c[nH]c4ccccc43)n2CCN(C)CC(F)(F)F)C[C@H](C)O1 ZINC001302904879 1067489310 /nfs/dbraw/zinc/48/93/10/1067489310.db2.gz BSUFOSKOGDQOLA-HDICACEKSA-N 1 1 493.578 3.466 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3c[nH]c4ccccc43)n2CCN(C)CC(F)(F)F)C[C@H](C)O1 ZINC001302904879 1067489315 /nfs/dbraw/zinc/48/93/15/1067489315.db2.gz BSUFOSKOGDQOLA-HDICACEKSA-N 1 1 493.578 3.466 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC001302905238 1067489664 /nfs/dbraw/zinc/48/96/64/1067489664.db2.gz IILYDCBSANXHQS-BGYRXZFFSA-N 1 1 492.628 3.027 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC001302905238 1067489667 /nfs/dbraw/zinc/48/96/67/1067489667.db2.gz IILYDCBSANXHQS-BGYRXZFFSA-N 1 1 492.628 3.027 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2CCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC001302905121 1067489755 /nfs/dbraw/zinc/48/97/55/1067489755.db2.gz HZDDGVSKWCHFIU-HDICACEKSA-N 1 1 458.010 3.120 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2CCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC001302905121 1067489759 /nfs/dbraw/zinc/48/97/59/1067489759.db2.gz HZDDGVSKWCHFIU-HDICACEKSA-N 1 1 458.010 3.120 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccn3)n2CCCCNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC001302905281 1067489784 /nfs/dbraw/zinc/48/97/84/1067489784.db2.gz JREODNDUAFAKMQ-BGYRXZFFSA-N 1 1 487.649 3.190 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccn3)n2CCCCNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC001302905281 1067489788 /nfs/dbraw/zinc/48/97/88/1067489788.db2.gz JREODNDUAFAKMQ-BGYRXZFFSA-N 1 1 487.649 3.190 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCN(C)c2ccccc2)C[C@H](C)O1 ZINC001302905252 1067489852 /nfs/dbraw/zinc/48/98/52/1067489852.db2.gz INWUUPPYRSSHMM-XJUOHMSHSA-N 1 1 456.635 3.202 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCN(C)c2ccccc2)C[C@H](C)O1 ZINC001302905252 1067489858 /nfs/dbraw/zinc/48/98/58/1067489858.db2.gz INWUUPPYRSSHMM-XJUOHMSHSA-N 1 1 456.635 3.202 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304417878 1067490846 /nfs/dbraw/zinc/49/08/46/1067490846.db2.gz GGEUAPWYEQDFKN-GOTSBHOMSA-N 1 1 470.662 3.195 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc[nH]3)n2CCCCNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC001302906007 1067491456 /nfs/dbraw/zinc/49/14/56/1067491456.db2.gz XUMRWSKIVBNHHH-KDURUIRLSA-N 1 1 475.638 3.124 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc[nH]3)n2CCCCNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC001302906007 1067491460 /nfs/dbraw/zinc/49/14/60/1067491460.db2.gz XUMRWSKIVBNHHH-KDURUIRLSA-N 1 1 475.638 3.124 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCO3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H](C)O1 ZINC001302908427 1067492911 /nfs/dbraw/zinc/49/29/11/1067492911.db2.gz LMILXLXMYNCDQP-SVFBPWRDSA-N 1 1 492.665 3.075 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCO3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H](C)O1 ZINC001302908427 1067492917 /nfs/dbraw/zinc/49/29/17/1067492917.db2.gz LMILXLXMYNCDQP-SVFBPWRDSA-N 1 1 492.665 3.075 20 0 JGADMO CC(C)Cc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302908538 1067493582 /nfs/dbraw/zinc/49/35/82/1067493582.db2.gz SFAABPMKDJUHEK-JOCHJYFZSA-N 1 1 474.600 3.260 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccn3)n2C[C@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302909644 1067495070 /nfs/dbraw/zinc/49/50/70/1067495070.db2.gz XJRKDPHHQLPCDL-UZINWLIJSA-N 1 1 470.662 3.141 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccn3)n2C[C@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001302909644 1067495073 /nfs/dbraw/zinc/49/50/73/1067495073.db2.gz XJRKDPHHQLPCDL-UZINWLIJSA-N 1 1 470.662 3.141 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302909648 1067495266 /nfs/dbraw/zinc/49/52/66/1067495266.db2.gz XKUKFUVLXZGCLP-YVXPOVKHSA-N 1 1 478.037 3.236 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001302909648 1067495268 /nfs/dbraw/zinc/49/52/68/1067495268.db2.gz XKUKFUVLXZGCLP-YVXPOVKHSA-N 1 1 478.037 3.236 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001304421727 1067497647 /nfs/dbraw/zinc/49/76/47/1067497647.db2.gz GEWSQNUAWHCTLB-SFTDATJTSA-N 1 1 459.660 3.262 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001304423145 1067499984 /nfs/dbraw/zinc/49/99/84/1067499984.db2.gz AZNATKBEVLPIAL-NHCUHLMSSA-N 1 1 486.661 3.128 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001304423949 1067500795 /nfs/dbraw/zinc/50/07/95/1067500795.db2.gz BWGMIQSHNFTMAT-LJQANCHMSA-N 1 1 451.493 3.195 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCSCC(C)C)cc1C ZINC001304425349 1067502598 /nfs/dbraw/zinc/50/25/98/1067502598.db2.gz OTJKKJJXCAZCIB-NRFANRHFSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCSCC(C)C)cc1C ZINC001304425349 1067502608 /nfs/dbraw/zinc/50/26/08/1067502608.db2.gz OTJKKJJXCAZCIB-NRFANRHFSA-N 1 1 459.660 3.384 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302922800 1067502728 /nfs/dbraw/zinc/50/27/28/1067502728.db2.gz JKSQXSHXSGVAPQ-OALUTQOASA-N 1 1 483.583 3.380 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001304429262 1067506876 /nfs/dbraw/zinc/50/68/76/1067506876.db2.gz OXBOHTQKZWGHNS-PKTZIBPZSA-N 1 1 471.646 3.497 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001304429258 1067506939 /nfs/dbraw/zinc/50/69/39/1067506939.db2.gz OXBOHTQKZWGHNS-DHIUTWEWSA-N 1 1 471.646 3.497 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001302933603 1067508460 /nfs/dbraw/zinc/50/84/60/1067508460.db2.gz MVQCVBPHIWDPKT-LJQANCHMSA-N 1 1 456.610 3.451 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302933245 1067508598 /nfs/dbraw/zinc/50/85/98/1067508598.db2.gz KBQGPSUENWDBGV-IBGZPJMESA-N 1 1 474.616 3.440 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)Cc3cnn(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304431316 1067509718 /nfs/dbraw/zinc/50/97/18/1067509718.db2.gz LPONFAJMRMDBDR-UHFFFAOYSA-N 1 1 469.659 3.360 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)Cc3cnn(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304431316 1067509727 /nfs/dbraw/zinc/50/97/27/1067509727.db2.gz LPONFAJMRMDBDR-UHFFFAOYSA-N 1 1 469.659 3.360 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302937479 1067511050 /nfs/dbraw/zinc/51/10/50/1067511050.db2.gz LHVYIPOSUGTIGY-UHFFFAOYSA-N 1 1 493.578 3.073 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302937479 1067511057 /nfs/dbraw/zinc/51/10/57/1067511057.db2.gz LHVYIPOSUGTIGY-UHFFFAOYSA-N 1 1 493.578 3.073 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304432716 1067511506 /nfs/dbraw/zinc/51/15/06/1067511506.db2.gz DUSDPBPCWFDCJG-DLBZAZTESA-N 1 1 482.576 3.230 20 0 JGADMO Cc1ccc(SCc2nnc(N(C)CCN3CCOCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001304433107 1067511866 /nfs/dbraw/zinc/51/18/66/1067511866.db2.gz CQGDEWUUGMSYQD-JOCHJYFZSA-N 1 1 472.703 3.379 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302938529 1067512283 /nfs/dbraw/zinc/51/22/83/1067512283.db2.gz SDGZQFGFJGRHON-XUZZJYLKSA-N 1 1 472.653 3.467 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001304434541 1067513852 /nfs/dbraw/zinc/51/38/52/1067513852.db2.gz WNAOOEDVKHJVAJ-ACRUOGEOSA-N 1 1 459.660 3.339 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302940248 1067514671 /nfs/dbraw/zinc/51/46/71/1067514671.db2.gz XLBMSFBIQHPFSZ-HXUWFJFHSA-N 1 1 474.675 3.001 20 0 JGADMO FC(F)(F)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302940862 1067515092 /nfs/dbraw/zinc/51/50/92/1067515092.db2.gz CWUUTJDQFHKCFH-HNNXBMFYSA-N 1 1 474.915 3.079 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001304437451 1067516865 /nfs/dbraw/zinc/51/68/65/1067516865.db2.gz PZQYHLMJZZYVCU-HXUWFJFHSA-N 1 1 456.660 3.183 20 0 JGADMO Cc1ccc(SCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304438919 1067519340 /nfs/dbraw/zinc/51/93/40/1067519340.db2.gz RBELUJGRTYQDFX-GIWBLDEGSA-N 1 1 473.687 3.443 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001302946649 1067519991 /nfs/dbraw/zinc/51/99/91/1067519991.db2.gz QAUMKYYLTNPPPM-WIOPSUGQSA-N 1 1 481.689 3.090 20 0 JGADMO FC(F)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)CC1 ZINC001302948349 1067521902 /nfs/dbraw/zinc/52/19/02/1067521902.db2.gz PGAAKOPTHHWYMT-UHFFFAOYSA-N 1 1 489.398 3.361 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001302948900 1067522454 /nfs/dbraw/zinc/52/24/54/1067522454.db2.gz VRBPWXFUWBUAGB-GMAHTHKFSA-N 1 1 452.647 3.446 20 0 JGADMO Cc1cccc(C(=O)NCCn2c(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)c1 ZINC001304442701 1067524293 /nfs/dbraw/zinc/52/42/93/1067524293.db2.gz MBUUUSNZCHASMY-FQEVSTJZSA-N 1 1 468.646 3.004 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302955333 1067527641 /nfs/dbraw/zinc/52/76/41/1067527641.db2.gz NYZYFHAHJBLLCV-FQEVSTJZSA-N 1 1 458.626 3.442 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302955333 1067527648 /nfs/dbraw/zinc/52/76/48/1067527648.db2.gz NYZYFHAHJBLLCV-FQEVSTJZSA-N 1 1 458.626 3.442 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)n1CCC[N@@H+](C)C(C)C ZINC001302956387 1067528018 /nfs/dbraw/zinc/52/80/18/1067528018.db2.gz GURPJIRMQVSWDQ-DEOSSOPVSA-N 1 1 481.689 3.134 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302957501 1067528984 /nfs/dbraw/zinc/52/89/84/1067528984.db2.gz QNPDBKSTFKAHKJ-FPOVZHCZSA-N 1 1 486.627 3.440 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCS(=O)(=O)c1ccccc1 ZINC001302957902 1067529464 /nfs/dbraw/zinc/52/94/64/1067529464.db2.gz XLBFCNVFTASQGF-FQEVSTJZSA-N 1 1 459.660 3.261 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302958952 1067530801 /nfs/dbraw/zinc/53/08/01/1067530801.db2.gz LHPRISDOWQHURP-XZOQPEGZSA-N 1 1 487.737 3.168 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302960665 1067532087 /nfs/dbraw/zinc/53/20/87/1067532087.db2.gz BXJFSDQOJIMNQR-XMMPIXPASA-N 1 1 454.663 3.208 20 0 JGADMO CC(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302961980 1067533317 /nfs/dbraw/zinc/53/33/17/1067533317.db2.gz RGTAFKXMSPXBIA-UHFFFAOYSA-N 1 1 458.626 3.049 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001304453359 1067534361 /nfs/dbraw/zinc/53/43/61/1067534361.db2.gz NTROKRHYGWRADS-INIZCTEOSA-N 1 1 469.540 3.484 20 0 JGADMO Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304453473 1067534868 /nfs/dbraw/zinc/53/48/68/1067534868.db2.gz YVAJKXXZFREDRF-RBBKRZOGSA-N 1 1 482.654 3.182 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[C@H]1CCCCO1 ZINC001302965348 1067535446 /nfs/dbraw/zinc/53/54/46/1067535446.db2.gz RHGPQJQNRGKXOY-RPWUZVMVSA-N 1 1 476.710 3.057 20 0 JGADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001302966284 1067536246 /nfs/dbraw/zinc/53/62/46/1067536246.db2.gz PSWNMEGRDORGAN-IPJJNNNSSA-N 1 1 494.731 3.091 20 0 JGADMO Cc1ncc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC001304457017 1067537399 /nfs/dbraw/zinc/53/73/99/1067537399.db2.gz RYTYQWBJFBAISQ-IBGZPJMESA-N 1 1 455.632 3.407 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC001304459055 1067538675 /nfs/dbraw/zinc/53/86/75/1067538675.db2.gz CFIGKCCJGDVADZ-OAQYLSRUSA-N 1 1 474.675 3.317 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302971675 1067539873 /nfs/dbraw/zinc/53/98/73/1067539873.db2.gz GMWAJCAJGNRMAW-CPJSRVTESA-N 1 1 462.683 3.061 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302974566 1067541287 /nfs/dbraw/zinc/54/12/87/1067541287.db2.gz FYCXJOCMBQDVIJ-HSALFYBXSA-N 1 1 475.638 3.060 20 0 JGADMO CC(C)Cc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302975452 1067541609 /nfs/dbraw/zinc/54/16/09/1067541609.db2.gz KJQHJIFHUMBCIN-ZDXQCDESSA-N 1 1 455.647 3.424 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001304464394 1067542470 /nfs/dbraw/zinc/54/24/70/1067542470.db2.gz GEBPPBQDYQQGSJ-INIZCTEOSA-N 1 1 479.551 3.026 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCCOCCC(C)C)n1 ZINC001304466521 1067545026 /nfs/dbraw/zinc/54/50/26/1067545026.db2.gz WAXFXCAVZGTISN-REWPJTCUSA-N 1 1 456.635 3.258 20 0 JGADMO Fc1ccccc1OCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCOCC1 ZINC001302979718 1067545123 /nfs/dbraw/zinc/54/51/23/1067545123.db2.gz ZCHLAJOLWHEWHE-KRWDZBQOSA-N 1 1 471.499 3.497 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304466593 1067545380 /nfs/dbraw/zinc/54/53/80/1067545380.db2.gz ZWYUOCRFGBDEOM-HXUWFJFHSA-N 1 1 453.635 3.216 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304466591 1067545413 /nfs/dbraw/zinc/54/54/13/1067545413.db2.gz ZWYUOCRFGBDEOM-FQEVSTJZSA-N 1 1 453.635 3.216 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302984911 1067547868 /nfs/dbraw/zinc/54/78/68/1067547868.db2.gz FUXXVMGTAZALRP-ZCNNSNEGSA-N 1 1 478.682 3.468 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC001304469859 1067549288 /nfs/dbraw/zinc/54/92/88/1067549288.db2.gz ZZNXLRWUSGAEBR-AREMUKBSSA-N 1 1 461.614 3.239 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001304472711 1067550879 /nfs/dbraw/zinc/55/08/79/1067550879.db2.gz PGBFNBAXDYOMSU-FQEVSTJZSA-N 1 1 464.618 3.232 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304472917 1067551185 /nfs/dbraw/zinc/55/11/85/1067551185.db2.gz AJGONGYQSRLDDC-YADHBBJMSA-N 1 1 453.635 3.216 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304475137 1067553301 /nfs/dbraw/zinc/55/33/01/1067553301.db2.gz ZPVKHKVMUQIVIY-RTWAWAEBSA-N 1 1 453.635 3.121 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001304476150 1067554393 /nfs/dbraw/zinc/55/43/93/1067554393.db2.gz SLDGQBZOIGMTQA-OAQYLSRUSA-N 1 1 474.675 3.317 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304477635 1067555764 /nfs/dbraw/zinc/55/57/64/1067555764.db2.gz RMFUDROMPWDIOR-UHFFFAOYSA-N 1 1 455.010 3.364 20 0 JGADMO Cc1cccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001304478178 1067556653 /nfs/dbraw/zinc/55/66/53/1067556653.db2.gz GAMZJZWJUVVOBI-UXHICEINSA-N 1 1 499.660 3.251 20 0 JGADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCN2CCOCC2(C)C)n1 ZINC001304478713 1067557719 /nfs/dbraw/zinc/55/77/19/1067557719.db2.gz HAJMCVDJMZDFAT-UHFFFAOYSA-N 1 1 455.651 3.070 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001304478823 1067557984 /nfs/dbraw/zinc/55/79/84/1067557984.db2.gz MTEKWEVITMTTBH-UHFFFAOYSA-N 1 1 480.514 3.266 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304480684 1067560062 /nfs/dbraw/zinc/56/00/62/1067560062.db2.gz RPJQDFLRVQEPOQ-UHFFFAOYSA-N 1 1 465.568 3.455 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2Cc2cccc(C[NH+](C)C)c2)n1 ZINC001304481118 1067560644 /nfs/dbraw/zinc/56/06/44/1067560644.db2.gz ZDTTXUGWVBGHNN-UHFFFAOYSA-N 1 1 477.657 3.305 20 0 JGADMO CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303015252 1067569399 /nfs/dbraw/zinc/56/93/99/1067569399.db2.gz FRVXFMQVCAUUTG-JYFHCDHNSA-N 1 1 473.637 3.496 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001304495461 1067571809 /nfs/dbraw/zinc/57/18/09/1067571809.db2.gz IFSUAGAVEKGCNT-PSWAGMNNSA-N 1 1 495.716 3.415 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001304495461 1067571817 /nfs/dbraw/zinc/57/18/17/1067571817.db2.gz IFSUAGAVEKGCNT-PSWAGMNNSA-N 1 1 495.716 3.415 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303021114 1067572725 /nfs/dbraw/zinc/57/27/25/1067572725.db2.gz HETIRYBXKSULAP-RDPSFJRHSA-N 1 1 478.037 3.219 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303021114 1067572731 /nfs/dbraw/zinc/57/27/31/1067572731.db2.gz HETIRYBXKSULAP-RDPSFJRHSA-N 1 1 478.037 3.219 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303021115 1067572864 /nfs/dbraw/zinc/57/28/64/1067572864.db2.gz HETIRYBXKSULAP-YKSBVNFPSA-N 1 1 478.037 3.219 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303021115 1067572869 /nfs/dbraw/zinc/57/28/69/1067572869.db2.gz HETIRYBXKSULAP-YKSBVNFPSA-N 1 1 478.037 3.219 20 0 JGADMO Cc1cccc(CN2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001304497108 1067572858 /nfs/dbraw/zinc/57/28/58/1067572858.db2.gz CGESDNSIIXWDDS-XMMPIXPASA-N 1 1 464.662 3.286 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(Cc4cccc(C)c4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304498962 1067574248 /nfs/dbraw/zinc/57/42/48/1067574248.db2.gz QZDKNQYFNKMXNI-UHFFFAOYSA-N 1 1 478.689 3.358 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cccc(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304500704 1067575532 /nfs/dbraw/zinc/57/55/32/1067575532.db2.gz QTCSOUJHXCUUEV-UHFFFAOYSA-N 1 1 481.645 3.263 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303023345 1067575894 /nfs/dbraw/zinc/57/58/94/1067575894.db2.gz WCAJNPSIGVEPDG-HWIPXOPOSA-N 1 1 463.667 3.179 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001304501822 1067576121 /nfs/dbraw/zinc/57/61/21/1067576121.db2.gz AEPIUNWEDVVQFC-NRFANRHFSA-N 1 1 486.661 3.017 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@](C)(O)C(C)C)c1 ZINC001304503241 1067577627 /nfs/dbraw/zinc/57/76/27/1067577627.db2.gz BVNGQVICEQCBKM-VWLOTQADSA-N 1 1 459.635 3.120 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@](C)(O)C(C)C)c1 ZINC001304503241 1067577631 /nfs/dbraw/zinc/57/76/31/1067577631.db2.gz BVNGQVICEQCBKM-VWLOTQADSA-N 1 1 459.635 3.120 20 0 JGADMO CC(C)CCCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001303026654 1067578380 /nfs/dbraw/zinc/57/83/80/1067578380.db2.gz HCAWMMCQHJSTRW-QHCPKHFHSA-N 1 1 455.651 3.008 20 0 JGADMO CC(C)CCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001303027698 1067578711 /nfs/dbraw/zinc/57/87/11/1067578711.db2.gz ROWXPDDBZHACBE-UHFFFAOYSA-N 1 1 460.623 3.237 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)c1 ZINC001304506745 1067580337 /nfs/dbraw/zinc/58/03/37/1067580337.db2.gz MNFDXWNUIXDROH-AREMUKBSSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304510385 1067585039 /nfs/dbraw/zinc/58/50/39/1067585039.db2.gz NDTQJNXYZCANJS-HXUWFJFHSA-N 1 1 454.619 3.001 20 0 JGADMO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001303040493 1067585531 /nfs/dbraw/zinc/58/55/31/1067585531.db2.gz YRHKVTGSVBFTPZ-LJQANCHMSA-N 1 1 493.027 3.066 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001304511914 1067588285 /nfs/dbraw/zinc/58/82/85/1067588285.db2.gz KANPBTMYMIKYPQ-UHFFFAOYSA-N 1 1 495.525 3.393 20 0 JGADMO CC(C)CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303046700 1067589448 /nfs/dbraw/zinc/58/94/48/1067589448.db2.gz FPBQJRVAGQSTCM-HSZRJFAPSA-N 1 1 484.693 3.291 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001304512652 1067589573 /nfs/dbraw/zinc/58/95/73/1067589573.db2.gz RVKRZLRXGOLOPH-HHHXNRCGSA-N 1 1 495.672 3.245 20 0 JGADMO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001303047241 1067589740 /nfs/dbraw/zinc/58/97/40/1067589740.db2.gz IWLGAKCMBUYUJY-LJQANCHMSA-N 1 1 467.618 3.433 20 0 JGADMO Cc1noc(C)c1Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304512878 1067589931 /nfs/dbraw/zinc/58/99/31/1067589931.db2.gz WJXKRROGLOLXRO-UHFFFAOYSA-N 1 1 468.602 3.366 20 0 JGADMO Cc1cccc(OCCn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001304514566 1067591722 /nfs/dbraw/zinc/59/17/22/1067591722.db2.gz DMCXUCPWEKXBFD-UHFFFAOYSA-N 1 1 452.603 3.218 20 0 JGADMO Cc1cccc(OCCn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001304514566 1067591727 /nfs/dbraw/zinc/59/17/27/1067591727.db2.gz DMCXUCPWEKXBFD-UHFFFAOYSA-N 1 1 452.603 3.218 20 0 JGADMO Cc1cccc(OCCn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304518132 1067593785 /nfs/dbraw/zinc/59/37/85/1067593785.db2.gz SXNLQENOGYJQIC-BHIFYINESA-N 1 1 457.619 3.105 20 0 JGADMO Cc1cccc(OCCn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304518132 1067593793 /nfs/dbraw/zinc/59/37/93/1067593793.db2.gz SXNLQENOGYJQIC-BHIFYINESA-N 1 1 457.619 3.105 20 0 JGADMO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304519405 1067594863 /nfs/dbraw/zinc/59/48/63/1067594863.db2.gz IIPLMDOHGUWVEX-LEWJYISDSA-N 1 1 456.635 3.279 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001304523797 1067597825 /nfs/dbraw/zinc/59/78/25/1067597825.db2.gz BQFVTIYYFMULSU-TZIWHRDSSA-N 1 1 459.660 3.389 20 0 JGADMO Cc1ccccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001304523794 1067597848 /nfs/dbraw/zinc/59/78/48/1067597848.db2.gz BQFVTIYYFMULSU-CTNGQTDRSA-N 1 1 459.660 3.389 20 0 JGADMO CC(C)(C)OCCC[NH+]1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 ZINC001303068143 1067602673 /nfs/dbraw/zinc/60/26/73/1067602673.db2.gz AHEQFFLVJMWDTB-UHFFFAOYSA-N 1 1 454.596 3.386 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCCOC(C)C ZINC001304534890 1067605445 /nfs/dbraw/zinc/60/54/45/1067605445.db2.gz JQFDVYPPHQIHPD-QHCPKHFHSA-N 1 1 468.646 3.202 20 0 JGADMO O=C(Nc1ccccn1)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001303078077 1067610793 /nfs/dbraw/zinc/61/07/93/1067610793.db2.gz LEYFBCGMPDULPV-UHFFFAOYSA-N 1 1 495.550 3.207 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCOC[C@H]1C ZINC001304546662 1067615988 /nfs/dbraw/zinc/61/59/88/1067615988.db2.gz BNADKQLXXMZRLY-SVPADUAOSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCOC[C@H]1C ZINC001304546662 1067615991 /nfs/dbraw/zinc/61/59/91/1067615991.db2.gz BNADKQLXXMZRLY-SVPADUAOSA-N 1 1 455.647 3.395 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCC[C@@H]1C ZINC001304547598 1067616830 /nfs/dbraw/zinc/61/68/30/1067616830.db2.gz IWXGDEJDIGVVRT-HFZDXXHNSA-N 1 1 455.647 3.275 20 0 JGADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCC[C@@H]1C ZINC001304547598 1067616834 /nfs/dbraw/zinc/61/68/34/1067616834.db2.gz IWXGDEJDIGVVRT-HFZDXXHNSA-N 1 1 455.647 3.275 20 0 JGADMO Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001304548998 1067618086 /nfs/dbraw/zinc/61/80/86/1067618086.db2.gz AYLPTSRDKRZNJZ-MQSCRBSSSA-N 1 1 498.672 3.247 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCCC2(C)C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304556325 1067625193 /nfs/dbraw/zinc/62/51/93/1067625193.db2.gz JFLRYLJHGCPNDB-QFIPXVFZSA-N 1 1 452.647 3.499 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556777 1067625675 /nfs/dbraw/zinc/62/56/75/1067625675.db2.gz NUXKCQTYTMZACL-YADHBBJMSA-N 1 1 473.687 3.313 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304557224 1067625972 /nfs/dbraw/zinc/62/59/72/1067625972.db2.gz RJLLXBYVIMVGBD-RUZDIDTESA-N 1 1 496.700 3.229 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304558198 1067626782 /nfs/dbraw/zinc/62/67/82/1067626782.db2.gz WWWHFSFQKZFRRO-IFMALSPDSA-N 1 1 452.647 3.390 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304558199 1067626818 /nfs/dbraw/zinc/62/68/18/1067626818.db2.gz WWWHFSFQKZFRRO-IRLDBZIGSA-N 1 1 452.647 3.390 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001304560716 1067630794 /nfs/dbraw/zinc/63/07/94/1067630794.db2.gz WSSROCQHQKQCPJ-UHFFFAOYSA-N 1 1 478.689 3.211 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001303094951 1067631461 /nfs/dbraw/zinc/63/14/61/1067631461.db2.gz KVQQXPBZFJEKCL-OAQYLSRUSA-N 1 1 498.672 3.148 20 0 JGADMO Cc1ccccc1CCn1c(N(C)CC[N@@H+]2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304564831 1067634748 /nfs/dbraw/zinc/63/47/48/1067634748.db2.gz VFAUQDSCHBTKEZ-MHZLTWQESA-N 1 1 485.673 3.417 20 0 JGADMO Cc1ccccc1CCn1c(N(C)CC[N@H+]2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304564831 1067634750 /nfs/dbraw/zinc/63/47/50/1067634750.db2.gz VFAUQDSCHBTKEZ-MHZLTWQESA-N 1 1 485.673 3.417 20 0 JGADMO Cc1ccccc1CCn1c(N(C)CC[N@@H+]2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304564830 1067634805 /nfs/dbraw/zinc/63/48/05/1067634805.db2.gz VFAUQDSCHBTKEZ-HHHXNRCGSA-N 1 1 485.673 3.417 20 0 JGADMO Cc1ccccc1CCn1c(N(C)CC[N@H+]2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304564830 1067634808 /nfs/dbraw/zinc/63/48/08/1067634808.db2.gz VFAUQDSCHBTKEZ-HHHXNRCGSA-N 1 1 485.673 3.417 20 0 JGADMO CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCC[NH+]2CCOCC2)cc1 ZINC001303098635 1067636286 /nfs/dbraw/zinc/63/62/86/1067636286.db2.gz CMBYBJSFVKHDLE-QPPBQGQZSA-N 1 1 471.646 3.299 20 0 JGADMO Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304569534 1067636992 /nfs/dbraw/zinc/63/69/92/1067636992.db2.gz GGSUYGVYIMPVSY-NRFANRHFSA-N 1 1 459.660 3.095 20 0 JGADMO Cc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304570217 1067638422 /nfs/dbraw/zinc/63/84/22/1067638422.db2.gz AYGBYAZUFQPZMP-QHCPKHFHSA-N 1 1 481.689 3.153 20 0 JGADMO Cc1ccccc1O[C@H](C)Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C ZINC001304575275 1067644268 /nfs/dbraw/zinc/64/42/68/1067644268.db2.gz YUQSZCNTKFQEQR-RTWAWAEBSA-N 1 1 468.646 3.094 20 0 JGADMO CC(C)CCOC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303108910 1067646419 /nfs/dbraw/zinc/64/64/19/1067646419.db2.gz AZUCHPAHLVODDX-FYYLOGMGSA-N 1 1 463.667 3.170 20 0 JGADMO CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303109870 1067647761 /nfs/dbraw/zinc/64/77/61/1067647761.db2.gz OBVBCPVLGLTCTJ-SFHVURJKSA-N 1 1 481.439 3.009 20 0 JGADMO CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303109870 1067647767 /nfs/dbraw/zinc/64/77/67/1067647767.db2.gz OBVBCPVLGLTCTJ-SFHVURJKSA-N 1 1 481.439 3.009 20 0 JGADMO Cc1ccccc1[C@H]1C[C@H](n2c(C(=O)NC(C)C)nnc2N2CC[NH+](CCOC(C)C)CC2)C1 ZINC001304580251 1067649938 /nfs/dbraw/zinc/64/99/38/1067649938.db2.gz XXXGUJOALSBORE-HZCBDIJESA-N 1 1 468.646 3.390 20 0 JGADMO CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001304590622 1067657608 /nfs/dbraw/zinc/65/76/08/1067657608.db2.gz KKTOPXWHYQNTJT-NJYVYQBISA-N 1 1 474.650 3.174 20 0 JGADMO CC(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001303122957 1067663478 /nfs/dbraw/zinc/66/34/78/1067663478.db2.gz BQQMXOONRVGNIQ-HSZRJFAPSA-N 1 1 462.683 3.187 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303143178 1067681779 /nfs/dbraw/zinc/68/17/79/1067681779.db2.gz ATNRCNPMWHOUHM-RBUKOAKNSA-N 1 1 459.557 3.015 20 0 JGADMO Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001304615159 1067682591 /nfs/dbraw/zinc/68/25/91/1067682591.db2.gz ZKOXSOVAADWSIF-SJORKVTESA-N 1 1 492.671 3.091 20 0 JGADMO CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1CCC[N@H+]1CCCO[C@@H](C)C1)C(C)C ZINC001303146227 1067684887 /nfs/dbraw/zinc/68/48/87/1067684887.db2.gz BXILSSNCWRXKSS-FQEVSTJZSA-N 1 1 457.623 3.297 20 0 JGADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1 ZINC001303152895 1067689598 /nfs/dbraw/zinc/68/95/98/1067689598.db2.gz IORGHCTUPHCULI-DLBZAZTESA-N 1 1 469.527 3.475 20 0 JGADMO OCCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001303153157 1067690565 /nfs/dbraw/zinc/69/05/65/1067690565.db2.gz RLCSJYMZFCUJAQ-UHFFFAOYSA-N 1 1 462.019 3.381 20 0 JGADMO Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304629281 1067699880 /nfs/dbraw/zinc/69/98/80/1067699880.db2.gz BFKHDSUYIIPUAU-YTQUADARSA-N 1 1 465.689 3.307 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001303172259 1067704928 /nfs/dbraw/zinc/70/49/28/1067704928.db2.gz DBCGIEGTVAOVPH-OAQYLSRUSA-N 1 1 467.662 3.449 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)C1 ZINC001303172160 1067705009 /nfs/dbraw/zinc/70/50/09/1067705009.db2.gz BAOBZXZJVHFGAQ-VQTJNVASSA-N 1 1 466.696 3.027 20 0 JGADMO Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)s1 ZINC001304638528 1067706996 /nfs/dbraw/zinc/70/69/96/1067706996.db2.gz GZDHFTQIGSZBIL-NRFANRHFSA-N 1 1 484.670 3.279 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@H](C)C2)C1 ZINC001303173543 1067707439 /nfs/dbraw/zinc/70/74/39/1067707439.db2.gz RZNDTWABFRWKNR-NHCUHLMSSA-N 1 1 488.702 3.410 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001303174011 1067707579 /nfs/dbraw/zinc/70/75/79/1067707579.db2.gz VHDKIWSQIYLBRX-OAQYLSRUSA-N 1 1 461.614 3.443 20 0 JGADMO Cc1nc(C)c(CCn2c(Cc3ccncc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304640996 1067708828 /nfs/dbraw/zinc/70/88/28/1067708828.db2.gz CZICFYOZOWCKBS-HDICACEKSA-N 1 1 469.659 3.125 20 0 JGADMO Cc1nc(C)c(CCn2c(Cc3ccncc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304640996 1067708833 /nfs/dbraw/zinc/70/88/33/1067708833.db2.gz CZICFYOZOWCKBS-HDICACEKSA-N 1 1 469.659 3.125 20 0 JGADMO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1=O ZINC001303177583 1067710666 /nfs/dbraw/zinc/71/06/66/1067710666.db2.gz FDODGWPJEBVANZ-NRFANRHFSA-N 1 1 482.673 3.149 20 0 JGADMO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1=O ZINC001303177583 1067710670 /nfs/dbraw/zinc/71/06/70/1067710670.db2.gz FDODGWPJEBVANZ-NRFANRHFSA-N 1 1 482.673 3.149 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001303179075 1067712915 /nfs/dbraw/zinc/71/29/15/1067712915.db2.gz PYXMKPLTXRBTSY-TZIWHRDSSA-N 1 1 477.650 3.324 20 0 JGADMO Cc1nc(C)c(Cn2c(N3CC[NH+](C[C@H](O)COc4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001304644225 1067712934 /nfs/dbraw/zinc/71/29/34/1067712934.db2.gz LGQGEJRZHVJSKC-FQEVSTJZSA-N 1 1 484.670 3.259 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303179345 1067713190 /nfs/dbraw/zinc/71/31/90/1067713190.db2.gz UOECKIHEUFTNEV-HSALFYBXSA-N 1 1 472.600 3.223 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCOC[C@@H]2C)cs1 ZINC001304648715 1067716387 /nfs/dbraw/zinc/71/63/87/1067716387.db2.gz OOTILHGGZGORKM-AZUAARDMSA-N 1 1 476.691 3.101 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CC=CCC2)CC1=O ZINC001303183689 1067716526 /nfs/dbraw/zinc/71/65/26/1067716526.db2.gz SQJPBWFPONLXRS-HXUWFJFHSA-N 1 1 470.593 3.124 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)CN2CCOCC2)CC1 ZINC001303185342 1067720366 /nfs/dbraw/zinc/72/03/66/1067720366.db2.gz ZJNBNTWTKBPJSZ-HXUWFJFHSA-N 1 1 461.054 3.345 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CCC[NH+]2CCOCC2)cs1 ZINC001304653619 1067721812 /nfs/dbraw/zinc/72/18/12/1067721812.db2.gz XFEYQDDJAFCVFK-UHFFFAOYSA-N 1 1 495.447 3.348 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1=O ZINC001303192605 1067727055 /nfs/dbraw/zinc/72/70/55/1067727055.db2.gz WRROGCXAQWQAAQ-NZQKXSOJSA-N 1 1 486.636 3.484 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1=O ZINC001303197607 1067732217 /nfs/dbraw/zinc/73/22/17/1067732217.db2.gz XDKDQVCLBLBASY-JTHBVZDNSA-N 1 1 467.662 3.077 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1=O ZINC001303197604 1067732352 /nfs/dbraw/zinc/73/23/52/1067732352.db2.gz XDKDQVCLBLBASY-FYYLOGMGSA-N 1 1 467.662 3.077 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001303197617 1067732367 /nfs/dbraw/zinc/73/23/67/1067732367.db2.gz RTIRHWYNNYHNRD-IBGZPJMESA-N 1 1 474.600 3.184 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cs1 ZINC001304666713 1067734112 /nfs/dbraw/zinc/73/41/12/1067734112.db2.gz SCVCCBPUNRSZDY-GOSISDBHSA-N 1 1 476.691 3.386 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001304666715 1067734174 /nfs/dbraw/zinc/73/41/74/1067734174.db2.gz SEGGINNJVMFCKV-IBGZPJMESA-N 1 1 477.679 3.420 20 0 JGADMO Cc1nc(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cs1 ZINC001304667809 1067735929 /nfs/dbraw/zinc/73/59/29/1067735929.db2.gz ITSWGXJWKYRBPF-FQEVSTJZSA-N 1 1 494.731 3.159 20 0 JGADMO Cc1nc(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)cs1 ZINC001304667809 1067735935 /nfs/dbraw/zinc/73/59/35/1067735935.db2.gz ITSWGXJWKYRBPF-FQEVSTJZSA-N 1 1 494.731 3.159 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001303200607 1067736456 /nfs/dbraw/zinc/73/64/56/1067736456.db2.gz CWNVSCIFDRTGQY-BJKOFHAPSA-N 1 1 454.663 3.469 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001303200607 1067736464 /nfs/dbraw/zinc/73/64/64/1067736464.db2.gz CWNVSCIFDRTGQY-BJKOFHAPSA-N 1 1 454.663 3.469 20 0 JGADMO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCC(CCCN3CCOCC3)CC2)C1 ZINC001303201447 1067737191 /nfs/dbraw/zinc/73/71/91/1067737191.db2.gz LCNZXWGGQMLBSI-XMMPIXPASA-N 1 1 476.710 3.087 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCC(CCCN3CCOCC3)CC2)C1 ZINC001303201447 1067737194 /nfs/dbraw/zinc/73/71/94/1067737194.db2.gz LCNZXWGGQMLBSI-XMMPIXPASA-N 1 1 476.710 3.087 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+]2CC=CCC2)cs1 ZINC001304669713 1067737761 /nfs/dbraw/zinc/73/77/61/1067737761.db2.gz BWUSVTDCYDQJEE-SFHVURJKSA-N 1 1 470.565 3.443 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2CCC(=O)NC(C)C)cs1 ZINC001304669773 1067738601 /nfs/dbraw/zinc/73/86/01/1067738601.db2.gz JNVFVMASRGBJIU-KRWDZBQOSA-N 1 1 487.699 3.493 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001303204033 1067740204 /nfs/dbraw/zinc/74/02/04/1067740204.db2.gz DSVNWAZMRKDSFX-VQTJNVASSA-N 1 1 487.649 3.076 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC(F)(F)C2)C1 ZINC001303204222 1067740614 /nfs/dbraw/zinc/74/06/14/1067740614.db2.gz LPKGFLQEJKXHHG-KRWDZBQOSA-N 1 1 453.509 3.198 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303204215 1067740750 /nfs/dbraw/zinc/74/07/50/1067740750.db2.gz LNQZDFCRXHZBFN-UXHICEINSA-N 1 1 466.552 3.399 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@H]2COc3ccccc3O2)C1 ZINC001303204370 1067741261 /nfs/dbraw/zinc/74/12/61/1067741261.db2.gz IJZBERVJDDFHIC-RTWAWAEBSA-N 1 1 471.646 3.500 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001303204237 1067741336 /nfs/dbraw/zinc/74/13/36/1067741336.db2.gz GFKGTONZDDZHKZ-OAQYLSRUSA-N 1 1 464.618 3.247 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001304672976 1067742124 /nfs/dbraw/zinc/74/21/24/1067742124.db2.gz YCRHYHMPKRXPGA-RTWAWAEBSA-N 1 1 487.718 3.495 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001303205356 1067742739 /nfs/dbraw/zinc/74/27/39/1067742739.db2.gz QIZWXIJRASMLND-LEWJYISDSA-N 1 1 499.660 3.143 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C(C)C)C2)C1 ZINC001303205582 1067742861 /nfs/dbraw/zinc/74/28/61/1067742861.db2.gz RLSAXKHHFPXODN-DHIUTWEWSA-N 1 1 475.609 3.214 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001303205402 1067742909 /nfs/dbraw/zinc/74/29/09/1067742909.db2.gz QVVKWLCUNODRAF-PZJWPPBQSA-N 1 1 476.666 3.348 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccccc3F)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001303205618 1067743336 /nfs/dbraw/zinc/74/33/36/1067743336.db2.gz SEKTZMDAAYTWBA-UXHICEINSA-N 1 1 475.609 3.357 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCSCC2)C1 ZINC001303206459 1067743652 /nfs/dbraw/zinc/74/36/52/1067743652.db2.gz SQTRVWHKTMJJMX-PMACEKPBSA-N 1 1 494.706 3.260 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CC(F)(F)Br)cs1 ZINC001304673938 1067743772 /nfs/dbraw/zinc/74/37/72/1067743772.db2.gz GIEPDYHGIIVNIB-AWEZNQCLSA-N 1 1 461.380 3.296 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CC2)C1 ZINC001303206672 1067744599 /nfs/dbraw/zinc/74/45/99/1067744599.db2.gz VUVQLTGAULJIMC-PZJWPPBQSA-N 1 1 476.666 3.348 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC001303207598 1067745716 /nfs/dbraw/zinc/74/57/16/1067745716.db2.gz ZZYLHGJGLPDFLS-GOSISDBHSA-N 1 1 477.535 3.089 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3F)CC2)C1 ZINC001303208682 1067746128 /nfs/dbraw/zinc/74/61/28/1067746128.db2.gz XRMIVBFGSUGJKL-FQEVSTJZSA-N 1 1 473.641 3.084 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303208123 1067746180 /nfs/dbraw/zinc/74/61/80/1067746180.db2.gz WWAAUFYCBNYMDA-UXHICEINSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCN(CCOc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303208732 1067746951 /nfs/dbraw/zinc/74/69/51/1067746951.db2.gz YDHIRANHAHEFLI-XMMPIXPASA-N 1 1 484.689 3.133 20 0 JGADMO CC(C)COC(=O)N1CCCN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001303210595 1067748557 /nfs/dbraw/zinc/74/85/57/1067748557.db2.gz OGCYUQCYOGSAGP-UHFFFAOYSA-N 1 1 476.666 3.351 20 0 JGADMO CC(C)COC(=O)N1CCCN(c2nnc(C3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001303210595 1067748564 /nfs/dbraw/zinc/74/85/64/1067748564.db2.gz OGCYUQCYOGSAGP-UHFFFAOYSA-N 1 1 476.666 3.351 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cs1 ZINC001304676540 1067748689 /nfs/dbraw/zinc/74/86/89/1067748689.db2.gz YFRKQTKWKOXDCT-GBXCKJPGSA-N 1 1 476.691 3.122 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(C3CCCC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303215059 1067752281 /nfs/dbraw/zinc/75/22/81/1067752281.db2.gz HLRYVZOSZUUADH-OYRHEFFESA-N 1 1 476.666 3.350 20 0 JGADMO Cc1nc(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)C2)no1 ZINC001304680100 1067752968 /nfs/dbraw/zinc/75/29/68/1067752968.db2.gz VOKMCQOYMLDDAC-UXHICEINSA-N 1 1 459.639 3.083 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001303216445 1067753740 /nfs/dbraw/zinc/75/37/40/1067753740.db2.gz SCSNGJBUNRTUPJ-UHFFFAOYSA-N 1 1 484.645 3.197 20 0 JGADMO CC(C)COc1cccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001303219533 1067757138 /nfs/dbraw/zinc/75/71/38/1067757138.db2.gz AETAEHZONPQTHE-UHFFFAOYSA-N 1 1 481.645 3.309 20 0 JGADMO CC(C)COc1cccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001303219533 1067757144 /nfs/dbraw/zinc/75/71/44/1067757144.db2.gz AETAEHZONPQTHE-UHFFFAOYSA-N 1 1 481.645 3.309 20 0 JGADMO Cc1nc(CN2CCN(c3nnc(-c4cccnc4)n3CCC[N@H+](C)C(C)C)CC2)cs1 ZINC001304687851 1067760441 /nfs/dbraw/zinc/76/04/41/1067760441.db2.gz NPFXWBZWFQUNIE-UHFFFAOYSA-N 1 1 454.648 3.158 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001303224520 1067761268 /nfs/dbraw/zinc/76/12/68/1067761268.db2.gz PVHJLDQEAHERBJ-WMZHIEFXSA-N 1 1 451.681 3.035 20 0 JGADMO Cc1nc(CN2CCCN(c3nnc(CC(C)C)n3CC[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC001304688367 1067761425 /nfs/dbraw/zinc/76/14/25/1067761425.db2.gz TVMMPRNOOLIMPE-UHFFFAOYSA-N 1 1 466.634 3.012 20 0 JGADMO Cc1ncc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001304692618 1067765855 /nfs/dbraw/zinc/76/58/55/1067765855.db2.gz QWFUHAOZUNHNQR-NRFANRHFSA-N 1 1 455.632 3.022 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001303236045 1067767861 /nfs/dbraw/zinc/76/78/61/1067767861.db2.gz ODJSQAOFAMPPSJ-MYDTUXCISA-N 1 1 477.694 3.416 20 0 JGADMO CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001303236047 1067767928 /nfs/dbraw/zinc/76/79/28/1067767928.db2.gz ODJSQAOFAMPPSJ-WBADGQHESA-N 1 1 477.694 3.416 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC001304701100 1067771869 /nfs/dbraw/zinc/77/18/69/1067771869.db2.gz AQKVJXPHBONZHU-GOSISDBHSA-N 1 1 460.579 3.096 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001304701353 1067772310 /nfs/dbraw/zinc/77/23/10/1067772310.db2.gz HLJSHEKBNXJODQ-UHFFFAOYSA-N 1 1 451.575 3.055 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)cn1 ZINC001304701793 1067773092 /nfs/dbraw/zinc/77/30/92/1067773092.db2.gz NQJYZJLALVGGQR-UHFFFAOYSA-N 1 1 463.508 3.308 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)CCOC(C)(C)C)cc1F ZINC001304702375 1067773959 /nfs/dbraw/zinc/77/39/59/1067773959.db2.gz XODXHVUVFNTWOF-UHFFFAOYSA-N 1 1 483.592 3.333 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001304702918 1067775020 /nfs/dbraw/zinc/77/50/20/1067775020.db2.gz LSGVGWFRHXXLLG-VXKWHMMOSA-N 1 1 471.650 3.146 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001304702668 1067775116 /nfs/dbraw/zinc/77/51/16/1067775116.db2.gz GGVQEFUAEUEDTR-UHFFFAOYSA-N 1 1 470.643 3.062 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001304703349 1067775438 /nfs/dbraw/zinc/77/54/38/1067775438.db2.gz DPMIWKYPQOZDAX-UHFFFAOYSA-N 1 1 495.447 3.174 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001304703631 1067775783 /nfs/dbraw/zinc/77/57/83/1067775783.db2.gz RUYCCFIGTWIXEK-PKOBYXMFSA-N 1 1 469.556 3.230 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C2CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001304703716 1067775814 /nfs/dbraw/zinc/77/58/14/1067775814.db2.gz UPEWEKAFHJMQDL-UHFFFAOYSA-N 1 1 453.513 3.036 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001304704017 1067776352 /nfs/dbraw/zinc/77/63/52/1067776352.db2.gz WGNHVAYBODDWNF-RXVVDRJESA-N 1 1 456.616 3.363 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccco1 ZINC001304704061 1067776371 /nfs/dbraw/zinc/77/63/71/1067776371.db2.gz BVUPUPUDLFAPDN-UHFFFAOYSA-N 1 1 483.598 3.020 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001304703974 1067776469 /nfs/dbraw/zinc/77/64/69/1067776469.db2.gz AWNOEBLXVCZOMX-UHFFFAOYSA-N 1 1 465.509 3.386 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001304704094 1067776558 /nfs/dbraw/zinc/77/65/58/1067776558.db2.gz CBQNBTXBWHPJSX-CQSZACIVSA-N 1 1 490.381 3.109 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304704188 1067777050 /nfs/dbraw/zinc/77/70/50/1067777050.db2.gz NWNKZBLYLYORMX-RBUKOAKNSA-N 1 1 459.595 3.218 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1 ZINC001304704496 1067777430 /nfs/dbraw/zinc/77/74/30/1067777430.db2.gz ZUQALYPUAMVTIE-LJQANCHMSA-N 1 1 459.595 3.172 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001304705406 1067777732 /nfs/dbraw/zinc/77/77/32/1067777732.db2.gz PKTQWUZLZTYNFE-XLIONFOSSA-N 1 1 466.590 3.285 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001304704854 1067777905 /nfs/dbraw/zinc/77/79/05/1067777905.db2.gz JUOSBYCEMVCGMK-QZTJIDSGSA-N 1 1 456.616 3.426 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001304705823 1067778637 /nfs/dbraw/zinc/77/86/37/1067778637.db2.gz VIKQYCMCBCAKTB-UHFFFAOYSA-N 1 1 464.961 3.324 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001304706098 1067778923 /nfs/dbraw/zinc/77/89/23/1067778923.db2.gz YLZCONQTDKACEO-HNNXBMFYSA-N 1 1 495.447 3.172 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)CC1 ZINC001304706835 1067779119 /nfs/dbraw/zinc/77/91/19/1067779119.db2.gz AXMVOQZOPHSOKM-UHFFFAOYSA-N 1 1 465.602 3.076 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 ZINC001303254571 1067779471 /nfs/dbraw/zinc/77/94/71/1067779471.db2.gz BGZHWRDRHPEWPM-NFOQDIRWSA-N 1 1 477.650 3.253 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001304708589 1067779706 /nfs/dbraw/zinc/77/97/06/1067779706.db2.gz ARXXBIGQWRPPEI-NRFANRHFSA-N 1 1 457.623 3.198 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303254584 1067779680 /nfs/dbraw/zinc/77/96/80/1067779680.db2.gz BOAYXYAIMOZLEP-HSZRJFAPSA-N 1 1 468.646 3.152 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCCOC1 ZINC001303254606 1067779988 /nfs/dbraw/zinc/77/99/88/1067779988.db2.gz CGZHBQQPKFNWOJ-OAQYLSRUSA-N 1 1 468.646 3.265 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001304709094 1067780100 /nfs/dbraw/zinc/78/01/00/1067780100.db2.gz JVZDJGJTSZIIQS-LJQANCHMSA-N 1 1 481.605 3.166 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001304708590 1067780294 /nfs/dbraw/zinc/78/02/94/1067780294.db2.gz ARXXBIGQWRPPEI-OAQYLSRUSA-N 1 1 457.623 3.198 20 0 JGADMO CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001303255115 1067780843 /nfs/dbraw/zinc/78/08/43/1067780843.db2.gz WCFSFQGFJINVJI-JOCHJYFZSA-N 1 1 487.718 3.435 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001303255115 1067780846 /nfs/dbraw/zinc/78/08/46/1067780846.db2.gz WCFSFQGFJINVJI-JOCHJYFZSA-N 1 1 487.718 3.435 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001304710689 1067781533 /nfs/dbraw/zinc/78/15/33/1067781533.db2.gz AKANUYAFXQPYOP-JOCHJYFZSA-N 1 1 465.646 3.177 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001304710922 1067781821 /nfs/dbraw/zinc/78/18/21/1067781821.db2.gz MZCUTSSMVCHTTR-QZTJIDSGSA-N 1 1 495.575 3.273 20 0 JGADMO Cc1[nH+]ccn1CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001304711082 1067782169 /nfs/dbraw/zinc/78/21/69/1067782169.db2.gz NRKQFBYXMNPPOY-NRFANRHFSA-N 1 1 480.617 3.162 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001303255746 1067782191 /nfs/dbraw/zinc/78/21/91/1067782191.db2.gz AKNCYCFTGPDDPX-UHFFFAOYSA-N 1 1 450.653 3.043 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001303255994 1067782871 /nfs/dbraw/zinc/78/28/71/1067782871.db2.gz GXKCMNQQPZKLIN-UUWRZZSWSA-N 1 1 483.686 3.162 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001304711825 1067782845 /nfs/dbraw/zinc/78/28/45/1067782845.db2.gz QCUUVBDIRFDUBM-NSHGMRRFSA-N 1 1 473.622 3.211 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001304711806 1067782882 /nfs/dbraw/zinc/78/28/82/1067782882.db2.gz FWMGRZGBBZYHIF-OAHLLOKOSA-N 1 1 490.381 3.144 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001304711919 1067782911 /nfs/dbraw/zinc/78/29/11/1067782911.db2.gz QXYMCVMHGMNWJW-UHFFFAOYSA-N 1 1 451.575 3.141 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCOCC2)CC1 ZINC001303256730 1067783670 /nfs/dbraw/zinc/78/36/70/1067783670.db2.gz ASVOGCIIDFTJSD-UHFFFAOYSA-N 1 1 472.653 3.287 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001303257353 1067784268 /nfs/dbraw/zinc/78/42/68/1067784268.db2.gz GAFQZKVLWVBHJF-QHCPKHFHSA-N 1 1 468.646 3.070 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001303257917 1067784500 /nfs/dbraw/zinc/78/45/00/1067784500.db2.gz JLDNNTKEBXADJL-RTBURBONSA-N 1 1 473.634 3.172 20 0 JGADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001304713926 1067785079 /nfs/dbraw/zinc/78/50/79/1067785079.db2.gz HOZUSUBXPCRVCI-INIZCTEOSA-N 1 1 497.547 3.022 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001304714320 1067785827 /nfs/dbraw/zinc/78/58/27/1067785827.db2.gz YXFDHDJSTDLBCD-NRFANRHFSA-N 1 1 487.649 3.459 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001304715403 1067786914 /nfs/dbraw/zinc/78/69/14/1067786914.db2.gz SGKBBIONXHVQAB-SANMLTNESA-N 1 1 487.693 3.427 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccn2)CC1 ZINC001303261348 1067787026 /nfs/dbraw/zinc/78/70/26/1067787026.db2.gz FUTYWHRPXCGNLD-UHFFFAOYSA-N 1 1 481.670 3.464 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001303261361 1067787082 /nfs/dbraw/zinc/78/70/82/1067787082.db2.gz GFDBWQQWTOWFGO-HSZRJFAPSA-N 1 1 478.544 3.308 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001303261297 1067787138 /nfs/dbraw/zinc/78/71/38/1067787138.db2.gz DIBNXSQVFWJDSV-QHCPKHFHSA-N 1 1 489.686 3.474 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303261438 1067787566 /nfs/dbraw/zinc/78/75/66/1067787566.db2.gz IDCTVVNWXSQHBB-UHFFFAOYSA-N 1 1 494.482 3.258 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304716323 1067787809 /nfs/dbraw/zinc/78/78/09/1067787809.db2.gz WYXOEUHBJUZVBV-NVQXNPDNSA-N 1 1 487.693 3.426 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304716317 1067787823 /nfs/dbraw/zinc/78/78/23/1067787823.db2.gz WYXOEUHBJUZVBV-ATIYNZHBSA-N 1 1 487.693 3.426 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303261633 1067787929 /nfs/dbraw/zinc/78/79/29/1067787929.db2.gz PYNJZOCWQCURMD-UHFFFAOYSA-N 1 1 480.455 3.248 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001303261694 1067788481 /nfs/dbraw/zinc/78/84/81/1067788481.db2.gz SAOBMMRPBMKFNW-LJQANCHMSA-N 1 1 475.435 3.249 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCCC2)C1 ZINC001303261704 1067788618 /nfs/dbraw/zinc/78/86/18/1067788618.db2.gz SRWGANKKFRXLAY-UHFFFAOYSA-N 1 1 475.659 3.228 20 0 JGADMO Cc1[nH+]ccn1CCn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304716630 1067788631 /nfs/dbraw/zinc/78/86/31/1067788631.db2.gz VZXAVBDIVKIRSI-HSZRJFAPSA-N 1 1 460.529 3.438 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)CC(N)=O ZINC001303262983 1067790321 /nfs/dbraw/zinc/79/03/21/1067790321.db2.gz LLFPRCGYWJCIEW-OAHLLOKOSA-N 1 1 451.413 3.138 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001303262916 1067790414 /nfs/dbraw/zinc/79/04/14/1067790414.db2.gz IQYRARDSXVFQHC-UHFFFAOYSA-N 1 1 495.647 3.434 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001303263631 1067790576 /nfs/dbraw/zinc/79/05/76/1067790576.db2.gz QHDHSEBDKGGRLO-UHFFFAOYSA-N 1 1 489.064 3.404 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001303263847 1067791257 /nfs/dbraw/zinc/79/12/57/1067791257.db2.gz HCZPJMPIDHLFAM-XMMPIXPASA-N 1 1 451.575 3.032 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001303264470 1067791465 /nfs/dbraw/zinc/79/14/65/1067791465.db2.gz BVHKNTOWXUIVFX-PMACEKPBSA-N 1 1 464.655 3.348 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001303265037 1067792224 /nfs/dbraw/zinc/79/22/24/1067792224.db2.gz FHWQDVQFOKGMEM-JOCHJYFZSA-N 1 1 472.609 3.238 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001303265175 1067792400 /nfs/dbraw/zinc/79/24/00/1067792400.db2.gz NVCKBQCALYMOPH-UHFFFAOYSA-N 1 1 481.645 3.316 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303265464 1067792814 /nfs/dbraw/zinc/79/28/14/1067792814.db2.gz KAOPPIHKINQWNL-RUZDIDTESA-N 1 1 487.599 3.363 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CC(F)C1 ZINC001303265447 1067792889 /nfs/dbraw/zinc/79/28/89/1067792889.db2.gz JIDOTNBCQLAJEE-UHFFFAOYSA-N 1 1 458.630 3.367 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001303266298 1067793236 /nfs/dbraw/zinc/79/32/36/1067793236.db2.gz YRIGUICHZFYTKC-PMACEKPBSA-N 1 1 479.000 3.330 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001304723335 1067794999 /nfs/dbraw/zinc/79/49/99/1067794999.db2.gz YJGXBQCKWFYDLZ-XMMPIXPASA-N 1 1 475.707 3.061 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001303268511 1067796422 /nfs/dbraw/zinc/79/64/22/1067796422.db2.gz PUFGBPZUEXDAKY-NRFANRHFSA-N 1 1 471.650 3.488 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)CCC(C)C)CC1 ZINC001304725784 1067797881 /nfs/dbraw/zinc/79/78/81/1067797881.db2.gz JNDHVHLCHIDYQU-HHHXNRCGSA-N 1 1 494.688 3.124 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001303269492 1067798223 /nfs/dbraw/zinc/79/82/23/1067798223.db2.gz ZXRASDIIYKUBTA-QFIPXVFZSA-N 1 1 476.629 3.371 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001303269494 1067798396 /nfs/dbraw/zinc/79/83/96/1067798396.db2.gz ZYKAAONTRGYIBN-UHFFFAOYSA-N 1 1 499.063 3.315 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303269373 1067798422 /nfs/dbraw/zinc/79/84/22/1067798422.db2.gz ZCGDPIHSOMNFOE-JOCHJYFZSA-N 1 1 486.686 3.415 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001304726159 1067798714 /nfs/dbraw/zinc/79/87/14/1067798714.db2.gz PYZMHZVAPVPLQT-XMMPIXPASA-N 1 1 487.052 3.073 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303269802 1067798885 /nfs/dbraw/zinc/79/88/85/1067798885.db2.gz BATKMRQXPQRGOF-UHFFFAOYSA-N 1 1 464.014 3.391 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001303271767 1067800467 /nfs/dbraw/zinc/80/04/67/1067800467.db2.gz UOVYALVLIBDAAU-RTBURBONSA-N 1 1 475.435 3.295 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001303272037 1067801180 /nfs/dbraw/zinc/80/11/80/1067801180.db2.gz XTCKYHWZJKCPNT-QZTJIDSGSA-N 1 1 460.648 3.035 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001303275093 1067802340 /nfs/dbraw/zinc/80/23/40/1067802340.db2.gz RXCWXDBRFANWAS-RTWAWAEBSA-N 1 1 476.691 3.431 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001303275075 1067802389 /nfs/dbraw/zinc/80/23/89/1067802389.db2.gz RNOYHRUHLWZVCS-GOSISDBHSA-N 1 1 461.680 3.451 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001303275442 1067802811 /nfs/dbraw/zinc/80/28/11/1067802811.db2.gz WUCQJEGXJYFJAD-HXUWFJFHSA-N 1 1 461.973 3.389 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001303275358 1067802854 /nfs/dbraw/zinc/80/28/54/1067802854.db2.gz BBYPJHJFAZQGMQ-UHFFFAOYSA-N 1 1 462.589 3.448 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001303276132 1067803975 /nfs/dbraw/zinc/80/39/75/1067803975.db2.gz JQVZTWMYZBYVHW-OAQYLSRUSA-N 1 1 475.037 3.476 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001303277317 1067805279 /nfs/dbraw/zinc/80/52/79/1067805279.db2.gz OZRUVHJNGMWUPK-QFIPXVFZSA-N 1 1 461.614 3.093 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001303278492 1067806392 /nfs/dbraw/zinc/80/63/92/1067806392.db2.gz GLOHERKKQIQLGF-UHFFFAOYSA-N 1 1 481.428 3.315 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001303278423 1067806578 /nfs/dbraw/zinc/80/65/78/1067806578.db2.gz DCBTYMBVWUJQCC-UXHICEINSA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001303278558 1067807103 /nfs/dbraw/zinc/80/71/03/1067807103.db2.gz JDLCBHLKKIFYDL-OAHLLOKOSA-N 1 1 469.417 3.171 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001303278703 1067808095 /nfs/dbraw/zinc/80/80/95/1067808095.db2.gz NNCKPTKKASTGJW-JOCHJYFZSA-N 1 1 484.428 3.500 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001304734432 1067808300 /nfs/dbraw/zinc/80/83/00/1067808300.db2.gz AUKUYQPAGVTUIF-NQIIRXRSSA-N 1 1 467.618 3.011 20 0 JGADMO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC001304735729 1067809849 /nfs/dbraw/zinc/80/98/49/1067809849.db2.gz ZUORPYUIHRGBDP-QHCPKHFHSA-N 1 1 496.635 3.342 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CC[C@H](C)C2)n1 ZINC001304740276 1067815080 /nfs/dbraw/zinc/81/50/80/1067815080.db2.gz HHZHBKFPKHTCLK-SIKLNZKXSA-N 1 1 457.667 3.371 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2CCNC(=O)C(C)C)n1 ZINC001304740704 1067815907 /nfs/dbraw/zinc/81/59/07/1067815907.db2.gz RBXSVINUXAHRBN-DEOSSOPVSA-N 1 1 492.672 3.013 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001304741431 1067817853 /nfs/dbraw/zinc/81/78/53/1067817853.db2.gz VXEVESKKAHANAP-SIKLNZKXSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304741431 1067817863 /nfs/dbraw/zinc/81/78/63/1067817863.db2.gz VXEVESKKAHANAP-SIKLNZKXSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304741431 1067817875 /nfs/dbraw/zinc/81/78/75/1067817875.db2.gz VXEVESKKAHANAP-SIKLNZKXSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001304741432 1067817941 /nfs/dbraw/zinc/81/79/41/1067817941.db2.gz VXEVESKKAHANAP-UGKGYDQZSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304741432 1067817956 /nfs/dbraw/zinc/81/79/56/1067817956.db2.gz VXEVESKKAHANAP-UGKGYDQZSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304741432 1067817971 /nfs/dbraw/zinc/81/79/71/1067817971.db2.gz VXEVESKKAHANAP-UGKGYDQZSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001304742307 1067819219 /nfs/dbraw/zinc/81/92/19/1067819219.db2.gz AGMABZSTUJBQDL-UHFFFAOYSA-N 1 1 455.582 3.026 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304743104 1067820403 /nfs/dbraw/zinc/82/04/03/1067820403.db2.gz HITHVVZYMPODJZ-FYYLOGMGSA-N 1 1 451.619 3.133 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CCCn2cc[nH+]c2C)n1 ZINC001304744153 1067822322 /nfs/dbraw/zinc/82/23/22/1067822322.db2.gz VGSYDHMSWMKVFN-UMSFTDKQSA-N 1 1 480.642 3.109 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303303162 1067828130 /nfs/dbraw/zinc/82/81/30/1067828130.db2.gz DCEJOPCBGXFKSH-ICSRJNTNSA-N 1 1 458.582 3.004 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303303003 1067828248 /nfs/dbraw/zinc/82/82/48/1067828248.db2.gz QJJRTSQDUKWSCG-ZWKOTPCHSA-N 1 1 456.557 3.413 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)n1 ZINC001304748998 1067828689 /nfs/dbraw/zinc/82/86/89/1067828689.db2.gz CVQMREVOQQUKRY-JOCHJYFZSA-N 1 1 455.651 3.169 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001303303496 1067829338 /nfs/dbraw/zinc/82/93/38/1067829338.db2.gz WOZBOEDVEFHVIW-ROUUACIJSA-N 1 1 489.462 3.495 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)C(C)C)CC1 ZINC001303303998 1067829760 /nfs/dbraw/zinc/82/97/60/1067829760.db2.gz BVPLKAARYOMQOR-DEOSSOPVSA-N 1 1 477.053 3.189 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303303935 1067830053 /nfs/dbraw/zinc/83/00/53/1067830053.db2.gz AYFOWQVXQRLUQY-LEWJYISDSA-N 1 1 451.681 3.145 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(=O)N(C)c4ccccc4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304750646 1067830742 /nfs/dbraw/zinc/83/07/42/1067830742.db2.gz WMNUSYDOASIZOO-QHCPKHFHSA-N 1 1 492.672 3.359 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303304501 1067831165 /nfs/dbraw/zinc/83/11/65/1067831165.db2.gz HSLWCORINAJKIF-SFTDATJTSA-N 1 1 476.666 3.081 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001303304715 1067831766 /nfs/dbraw/zinc/83/17/66/1067831766.db2.gz OPWFYCLUGVBBHF-HUUCEWRRSA-N 1 1 485.580 3.461 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001304752027 1067832337 /nfs/dbraw/zinc/83/23/37/1067832337.db2.gz PANDUDJAOMOQSC-UHFFFAOYSA-N 1 1 496.626 3.335 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304752027 1067832357 /nfs/dbraw/zinc/83/23/57/1067832357.db2.gz PANDUDJAOMOQSC-UHFFFAOYSA-N 1 1 496.626 3.335 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001304752027 1067832375 /nfs/dbraw/zinc/83/23/75/1067832375.db2.gz PANDUDJAOMOQSC-UHFFFAOYSA-N 1 1 496.626 3.335 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303305278 1067833167 /nfs/dbraw/zinc/83/31/67/1067833167.db2.gz SLECDIJTWVHKQM-MOPGFXCFSA-N 1 1 467.584 3.477 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304752780 1067833015 /nfs/dbraw/zinc/83/30/15/1067833015.db2.gz UJKDFSXHDUEDFY-RBUKOAKNSA-N 1 1 483.583 3.418 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCC(F)F)CC1 ZINC001303305469 1067833463 /nfs/dbraw/zinc/83/34/63/1067833463.db2.gz QWZBYCSBQBWTEI-UHFFFAOYSA-N 1 1 484.979 3.064 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303305454 1067833568 /nfs/dbraw/zinc/83/35/68/1067833568.db2.gz QMOCJTKPTWLLJW-RTBURBONSA-N 1 1 486.583 3.145 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001303306019 1067834215 /nfs/dbraw/zinc/83/42/15/1067834215.db2.gz YJTAMLBNMAAJIL-UHFFFAOYSA-N 1 1 478.439 3.002 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncc(F)cn3)CC2)C1 ZINC001303305799 1067834285 /nfs/dbraw/zinc/83/42/85/1067834285.db2.gz WFBSWUWGELNZNW-IBGZPJMESA-N 1 1 458.630 3.243 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001304753727 1067834755 /nfs/dbraw/zinc/83/47/55/1067834755.db2.gz FZDLZUKNWLSEPF-SFHVURJKSA-N 1 1 482.460 3.276 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001303307924 1067835622 /nfs/dbraw/zinc/83/56/22/1067835622.db2.gz MTVVGZWGLPKCFG-UHFFFAOYSA-N 1 1 488.608 3.298 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCc2ccco2)CC1 ZINC001303308007 1067836063 /nfs/dbraw/zinc/83/60/63/1067836063.db2.gz NGZBDYFLGPOKLY-UHFFFAOYSA-N 1 1 456.978 3.428 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccs2)CC1 ZINC001303308477 1067837258 /nfs/dbraw/zinc/83/72/58/1067837258.db2.gz YCBAJNNUXMXESY-UHFFFAOYSA-N 1 1 459.641 3.379 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001304755095 1067837609 /nfs/dbraw/zinc/83/76/09/1067837609.db2.gz VMWMPGSMLHLZQJ-UGKGYDQZSA-N 1 1 484.693 3.001 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303310969 1067840107 /nfs/dbraw/zinc/84/01/07/1067840107.db2.gz OWMINNFVZIQPCC-HXUWFJFHSA-N 1 1 475.037 3.346 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 ZINC001303311141 1067840189 /nfs/dbraw/zinc/84/01/89/1067840189.db2.gz WNBUCRSJLSTGLA-LJQANCHMSA-N 1 1 464.655 3.084 20 0 JGADMO CC(C)N1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303312235 1067841938 /nfs/dbraw/zinc/84/19/38/1067841938.db2.gz ACQAOKJVRWUADL-UHFFFAOYSA-N 1 1 487.693 3.185 20 0 JGADMO CC(C)N1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303312235 1067841946 /nfs/dbraw/zinc/84/19/46/1067841946.db2.gz ACQAOKJVRWUADL-UHFFFAOYSA-N 1 1 487.693 3.185 20 0 JGADMO CC(C)N1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001303314478 1067842655 /nfs/dbraw/zinc/84/26/55/1067842655.db2.gz ZBMOPEUUPVQICU-HXUWFJFHSA-N 1 1 489.709 3.406 20 0 JGADMO CC(C)N1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303314478 1067842670 /nfs/dbraw/zinc/84/26/70/1067842670.db2.gz ZBMOPEUUPVQICU-HXUWFJFHSA-N 1 1 489.709 3.406 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001304758537 1067843150 /nfs/dbraw/zinc/84/31/50/1067843150.db2.gz GFKQTTPSFIQTFF-OAQYLSRUSA-N 1 1 496.626 3.335 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001304758552 1067843339 /nfs/dbraw/zinc/84/33/39/1067843339.db2.gz BXJXHQLRULHMFA-UHFFFAOYSA-N 1 1 456.683 3.182 20 0 JGADMO CC(C)N1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCCC2)CC1 ZINC001303316864 1067844972 /nfs/dbraw/zinc/84/49/72/1067844972.db2.gz LKKJEWBKKFLNLO-SZPZYZBQSA-N 1 1 489.709 3.455 20 0 JGADMO CC(C)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303317173 1067845350 /nfs/dbraw/zinc/84/53/50/1067845350.db2.gz IMFBMUUHBQWWHE-UHFFFAOYSA-N 1 1 451.594 3.065 20 0 JGADMO CC(C)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303317173 1067845358 /nfs/dbraw/zinc/84/53/58/1067845358.db2.gz IMFBMUUHBQWWHE-UHFFFAOYSA-N 1 1 451.594 3.065 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC4CC4)n3CCSC(F)(F)F)CC2)CC1 ZINC001303317687 1067846985 /nfs/dbraw/zinc/84/69/85/1067846985.db2.gz AIVCLNWEWYIDDR-UHFFFAOYSA-N 1 1 460.614 3.478 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC[C@@H](F)C3)CC2)C1 ZINC001303317774 1067847446 /nfs/dbraw/zinc/84/74/46/1067847446.db2.gz CSCPLIPOECGZHT-YPAWHYETSA-N 1 1 464.674 3.236 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCSC3(C)C)CC2)C1 ZINC001303318157 1067848643 /nfs/dbraw/zinc/84/86/43/1067848643.db2.gz JHOBPTSDGHTJGJ-RTWAWAEBSA-N 1 1 478.751 3.339 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(CC(C)(C)C)n3CCCC3CCOCC3)CC2)C1 ZINC001303318414 1067849728 /nfs/dbraw/zinc/84/97/28/1067849728.db2.gz RFNRZHBGQCCLGL-DEOSSOPVSA-N 1 1 490.737 3.305 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccc(F)c(F)c4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304763030 1067850825 /nfs/dbraw/zinc/85/08/25/1067850825.db2.gz NNBDLFXEZSBIRT-QFIPXVFZSA-N 1 1 473.572 3.336 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304763465 1067851559 /nfs/dbraw/zinc/85/15/59/1067851559.db2.gz QODZNETULYZIKC-BKMJKUGQSA-N 1 1 487.693 3.138 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CCc2cccc(F)c2)n1 ZINC001304763475 1067851845 /nfs/dbraw/zinc/85/18/45/1067851845.db2.gz ITDHNKGGOIDQBY-UHFFFAOYSA-N 1 1 469.609 3.069 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](Cc4ccccc4)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304764059 1067852578 /nfs/dbraw/zinc/85/25/78/1067852578.db2.gz QQXRYNYWARPATP-DEOSSOPVSA-N 1 1 465.646 3.318 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001303325507 1067854772 /nfs/dbraw/zinc/85/47/72/1067854772.db2.gz VXHBFZIAQBBSRT-UXHICEINSA-N 1 1 480.613 3.476 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001303325507 1067854785 /nfs/dbraw/zinc/85/47/85/1067854785.db2.gz VXHBFZIAQBBSRT-UXHICEINSA-N 1 1 480.613 3.476 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCC(C)C)n1 ZINC001304765274 1067854845 /nfs/dbraw/zinc/85/48/45/1067854845.db2.gz WYNTWJHLWJRUKN-SZPZYZBQSA-N 1 1 456.683 3.181 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN4CCCC[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304765284 1067855011 /nfs/dbraw/zinc/85/50/11/1067855011.db2.gz XDVJEQJNTGSPPQ-QHCPKHFHSA-N 1 1 456.683 3.323 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@H]1CCCO1 ZINC001303327530 1067855609 /nfs/dbraw/zinc/85/56/09/1067855609.db2.gz KAXBZCOHPXLGSL-KSEOMHKRSA-N 1 1 454.619 3.085 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001303327217 1067855724 /nfs/dbraw/zinc/85/57/24/1067855724.db2.gz HGFQAYQRTTVVOO-CEWLAPEOSA-N 1 1 490.599 3.330 20 0 JGADMO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001304767241 1067857775 /nfs/dbraw/zinc/85/77/75/1067857775.db2.gz UXRGGBJKTRONFB-JQVVWYNYSA-N 1 1 472.682 3.200 20 0 JGADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CCO2)n1 ZINC001304768298 1067858522 /nfs/dbraw/zinc/85/85/22/1067858522.db2.gz BQGYLMXIHIXSFL-SFTDATJTSA-N 1 1 457.667 3.415 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001303330020 1067859100 /nfs/dbraw/zinc/85/91/00/1067859100.db2.gz JMKMZGSMXJBUKB-IBGZPJMESA-N 1 1 456.635 3.168 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001303330020 1067859112 /nfs/dbraw/zinc/85/91/12/1067859112.db2.gz JMKMZGSMXJBUKB-IBGZPJMESA-N 1 1 456.635 3.168 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1(C)Cc2ccccc2C1 ZINC001303330058 1067859163 /nfs/dbraw/zinc/85/91/63/1067859163.db2.gz KGVFUIHYNUXNFI-UHFFFAOYSA-N 1 1 482.673 3.016 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)C[C@H](C)c2nccs2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001303330039 1067859200 /nfs/dbraw/zinc/85/92/00/1067859200.db2.gz JUUQBFOSQLGUII-SFHVURJKSA-N 1 1 467.643 3.171 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCCC[NH+]1CCOCC1 ZINC001303330645 1067860246 /nfs/dbraw/zinc/86/02/46/1067860246.db2.gz ADLXLHDIUKBYCD-UHFFFAOYSA-N 1 1 482.551 3.184 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001303334043 1067863011 /nfs/dbraw/zinc/86/30/11/1067863011.db2.gz JQKSXZSEKAHJGF-IBGZPJMESA-N 1 1 453.635 3.136 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001303336242 1067866160 /nfs/dbraw/zinc/86/61/60/1067866160.db2.gz PJOZLPRDJCQCNE-FQEVSTJZSA-N 1 1 499.063 3.004 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC2CCOCC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001303337471 1067867565 /nfs/dbraw/zinc/86/75/65/1067867565.db2.gz RAZOITUSSVQJHA-FQEVSTJZSA-N 1 1 458.607 3.099 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCc2cccs2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303340191 1067868302 /nfs/dbraw/zinc/86/83/02/1067868302.db2.gz ISCGHSZNCCJDOC-UHFFFAOYSA-N 1 1 458.657 3.277 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCc2cccs2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303340191 1067868316 /nfs/dbraw/zinc/86/83/16/1067868316.db2.gz ISCGHSZNCCJDOC-UHFFFAOYSA-N 1 1 458.657 3.277 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001303340499 1067868603 /nfs/dbraw/zinc/86/86/03/1067868603.db2.gz URQQHRIXHMADDH-JOCHJYFZSA-N 1 1 496.681 3.448 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001303340860 1067869501 /nfs/dbraw/zinc/86/95/01/1067869501.db2.gz IUDPXOLJXXAQNN-UHFFFAOYSA-N 1 1 497.669 3.135 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001303340860 1067869513 /nfs/dbraw/zinc/86/95/13/1067869513.db2.gz IUDPXOLJXXAQNN-UHFFFAOYSA-N 1 1 497.669 3.135 20 0 JGADMO Cc1nnc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)o1 ZINC001304776227 1067870637 /nfs/dbraw/zinc/87/06/37/1067870637.db2.gz XNHBCCXSTAUPFL-SCTDSRPQSA-N 1 1 475.638 3.024 20 0 JGADMO CC(C)NC(=O)c1nnc(N(CCC(F)(F)F)CC2CC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001303347420 1067874448 /nfs/dbraw/zinc/87/44/48/1067874448.db2.gz MTZHCZFQWFMQTG-INIZCTEOSA-N 1 1 453.513 3.044 20 0 JGADMO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303347794 1067874812 /nfs/dbraw/zinc/87/48/12/1067874812.db2.gz SJAMKHLKZRPNLE-RBUKOAKNSA-N 1 1 460.648 3.148 20 0 JGADMO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CC[N@H+]1CCC[C@H]1C ZINC001303347795 1067874903 /nfs/dbraw/zinc/87/49/03/1067874903.db2.gz SJAMKHLKZRPNLE-RTBURBONSA-N 1 1 460.648 3.148 20 0 JGADMO CC(C)NC(=O)c1nnc(N(CC2CC2)CC2CCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001303347988 1067875237 /nfs/dbraw/zinc/87/52/37/1067875237.db2.gz VTHZFJCGCPWOGG-RTBURBONSA-N 1 1 460.667 3.321 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001303350455 1067877528 /nfs/dbraw/zinc/87/75/28/1067877528.db2.gz VCJTWCBDPNUONN-XXBNENTESA-N 1 1 468.646 3.309 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001303350452 1067877656 /nfs/dbraw/zinc/87/76/56/1067877656.db2.gz VCJTWCBDPNUONN-AUSIDOKSSA-N 1 1 468.646 3.309 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001303352972 1067879942 /nfs/dbraw/zinc/87/99/42/1067879942.db2.gz MLXRHXBPQMRONO-RTBURBONSA-N 1 1 456.660 3.195 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001303354480 1067881972 /nfs/dbraw/zinc/88/19/72/1067881972.db2.gz MIDJLCVDLHHTCX-UAFMIMERSA-N 1 1 460.667 3.319 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303354170 1067882027 /nfs/dbraw/zinc/88/20/27/1067882027.db2.gz GPDKMSZTMXJKNX-UHFFFAOYSA-N 1 1 472.556 3.029 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001303355936 1067883672 /nfs/dbraw/zinc/88/36/72/1067883672.db2.gz QMZRILMSBQYFEZ-GOSISDBHSA-N 1 1 498.525 3.206 20 0 JGADMO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304799448 1067884334 /nfs/dbraw/zinc/88/43/34/1067884334.db2.gz PXDTYSCIMZDENU-BGYRXZFFSA-N 1 1 484.645 3.179 20 0 JGADMO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001304800716 1067884749 /nfs/dbraw/zinc/88/47/49/1067884749.db2.gz YZSYPGRCNGVIDB-UXHICEINSA-N 1 1 454.619 3.412 20 0 JGADMO Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304800808 1067884967 /nfs/dbraw/zinc/88/49/67/1067884967.db2.gz SZALAYNWTYUPDT-JOCHJYFZSA-N 1 1 453.679 3.355 20 0 JGADMO Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001304800808 1067884976 /nfs/dbraw/zinc/88/49/76/1067884976.db2.gz SZALAYNWTYUPDT-JOCHJYFZSA-N 1 1 453.679 3.355 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001303362357 1067889404 /nfs/dbraw/zinc/88/94/04/1067889404.db2.gz KWIGOXPASZGIMR-IRXDYDNUSA-N 1 1 488.599 3.473 20 0 JGADMO Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001304815388 1067890118 /nfs/dbraw/zinc/89/01/18/1067890118.db2.gz BFRLPWQCUYJDDI-VJBMBRPKSA-N 1 1 484.645 3.227 20 0 JGADMO Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001304815388 1067890126 /nfs/dbraw/zinc/89/01/26/1067890126.db2.gz BFRLPWQCUYJDDI-VJBMBRPKSA-N 1 1 484.645 3.227 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001303363040 1067890224 /nfs/dbraw/zinc/89/02/24/1067890224.db2.gz CKEVVPRYDJGOHT-HKUYNNGSSA-N 1 1 452.594 3.408 20 0 JGADMO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304822560 1067892400 /nfs/dbraw/zinc/89/24/00/1067892400.db2.gz QTVAYVXJLCDEIU-LJQANCHMSA-N 1 1 464.655 3.171 20 0 JGADMO Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001304822848 1067893312 /nfs/dbraw/zinc/89/33/12/1067893312.db2.gz RKNPQLKYONPVOC-XMMPIXPASA-N 1 1 497.688 3.098 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H](C)N1CCc2ccccc21 ZINC001303366051 1067893563 /nfs/dbraw/zinc/89/35/63/1067893563.db2.gz JGIGGAXCPHQIGZ-OAQYLSRUSA-N 1 1 481.689 3.424 20 0 JGADMO Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001304823655 1067893614 /nfs/dbraw/zinc/89/36/14/1067893614.db2.gz VWTGQWZELRSZOA-IBGZPJMESA-N 1 1 456.557 3.279 20 0 JGADMO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001304826039 1067894599 /nfs/dbraw/zinc/89/45/99/1067894599.db2.gz SBRSEVWETUIUEE-UHFFFAOYSA-N 1 1 481.476 3.395 20 0 JGADMO CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001303368047 1067897347 /nfs/dbraw/zinc/89/73/47/1067897347.db2.gz KABIEOZNPXZGOP-SHQBLQIYSA-N 1 1 481.662 3.284 20 0 JGADMO CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001303367977 1067897591 /nfs/dbraw/zinc/89/75/91/1067897591.db2.gz IRSMRYKLHSWAPS-VCPRHENPSA-N 1 1 457.615 3.381 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@@]1(C)CCCS1 ZINC001303369121 1067898487 /nfs/dbraw/zinc/89/84/87/1067898487.db2.gz JOLYFXWCAQOIFS-HYBUGGRVSA-N 1 1 456.660 3.413 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1CCCC1CCOCC1 ZINC001303369165 1067898515 /nfs/dbraw/zinc/89/85/15/1067898515.db2.gz KPMBUJQSIUMFPN-HSZRJFAPSA-N 1 1 468.646 3.334 20 0 JGADMO Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001304841277 1067899827 /nfs/dbraw/zinc/89/98/27/1067899827.db2.gz FDTRXWHPYGFZKH-DYESRHJHSA-N 1 1 467.536 3.403 20 0 JGADMO Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001304841277 1067899840 /nfs/dbraw/zinc/89/98/40/1067899840.db2.gz FDTRXWHPYGFZKH-DYESRHJHSA-N 1 1 467.536 3.403 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001303370285 1067900182 /nfs/dbraw/zinc/90/01/82/1067900182.db2.gz WYVARWZEVLYOGQ-JTAQYXEDSA-N 1 1 468.646 3.331 20 0 JGADMO Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001304849230 1067902841 /nfs/dbraw/zinc/90/28/41/1067902841.db2.gz SBEVPIMPDONUMR-HXUWFJFHSA-N 1 1 463.001 3.462 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](OCc3ccccc3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303373412 1067903827 /nfs/dbraw/zinc/90/38/27/1067903827.db2.gz QNKVBKBGLQLVES-LEWJYISDSA-N 1 1 466.586 3.108 20 0 JGADMO Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001304853370 1067905451 /nfs/dbraw/zinc/90/54/51/1067905451.db2.gz UKLMAQFPMBDTGX-TZIWHRDSSA-N 1 1 458.655 3.344 20 0 JGADMO Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001304853369 1067905469 /nfs/dbraw/zinc/90/54/69/1067905469.db2.gz UKLMAQFPMBDTGX-PZJWPPBQSA-N 1 1 458.655 3.344 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001304857991 1067907609 /nfs/dbraw/zinc/90/76/09/1067907609.db2.gz DYZDUZUKBVYBIX-ZCNNSNEGSA-N 1 1 467.536 3.442 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304858620 1067908366 /nfs/dbraw/zinc/90/83/66/1067908366.db2.gz CUMHYZXRTWPCDZ-HXUWFJFHSA-N 1 1 460.589 3.046 20 0 JGADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001304858620 1067908370 /nfs/dbraw/zinc/90/83/70/1067908370.db2.gz CUMHYZXRTWPCDZ-HXUWFJFHSA-N 1 1 460.589 3.046 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCc3ccccc3[C@@H]2C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303379219 1067908526 /nfs/dbraw/zinc/90/85/26/1067908526.db2.gz SGNUKWJWYSTYAW-PMACEKPBSA-N 1 1 454.619 3.041 20 0 JGADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1Cc1cc(Br)cs1 ZINC001304858857 1067908857 /nfs/dbraw/zinc/90/88/57/1067908857.db2.gz KVUYXNMMXIYCIH-GOSISDBHSA-N 1 1 492.443 3.021 20 0 JGADMO Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001304859390 1067909218 /nfs/dbraw/zinc/90/92/18/1067909218.db2.gz GSMNZDUJXCICRH-FUPPJEDESA-N 1 1 489.709 3.228 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303380319 1067910057 /nfs/dbraw/zinc/91/00/57/1067910057.db2.gz YEHVNAYSTDTUAV-HSZRJFAPSA-N 1 1 460.623 3.021 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303381325 1067910327 /nfs/dbraw/zinc/91/03/27/1067910327.db2.gz HPOVDSQKXDAKOB-UHFFFAOYSA-N 1 1 475.435 3.427 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304865847 1067911572 /nfs/dbraw/zinc/91/15/72/1067911572.db2.gz HLYTUHBLGUEZED-DYESRHJHSA-N 1 1 465.545 3.267 20 0 JGADMO Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304869144 1067912939 /nfs/dbraw/zinc/91/29/39/1067912939.db2.gz LWQZNXWHXSQPBC-BGYRXZFFSA-N 1 1 451.681 3.282 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC001304871869 1067913760 /nfs/dbraw/zinc/91/37/60/1067913760.db2.gz CLQGZCKHVZXOQI-ZCNNSNEGSA-N 1 1 458.655 3.344 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(CC4CCCC4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001304873932 1067916412 /nfs/dbraw/zinc/91/64/12/1067916412.db2.gz FVXZRHCDMGJOFG-IBGZPJMESA-N 1 1 458.655 3.316 20 0 JGADMO C[NH+](C)[C@H](C(=O)N[C@H](CO)c1ccccc1I)c1ccc(Cl)cc1 ZINC001304874396 1067917257 /nfs/dbraw/zinc/91/72/57/1067917257.db2.gz CDDFMYKLWSCEIJ-SJORKVTESA-N 1 1 458.727 3.397 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@H]1CCOC[C@H]1C ZINC001303390157 1067919497 /nfs/dbraw/zinc/91/94/97/1067919497.db2.gz ZWSMACWFYFGMDP-CIAFKFPVSA-N 1 1 460.667 3.180 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@H]1CCOC[C@@H]1C ZINC001303390159 1067919602 /nfs/dbraw/zinc/91/96/02/1067919602.db2.gz ZWSMACWFYFGMDP-KJJMTIBFSA-N 1 1 460.667 3.180 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303391073 1067920747 /nfs/dbraw/zinc/92/07/47/1067920747.db2.gz BMTDQURCDSTQJW-AZUAARDMSA-N 1 1 460.648 3.320 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(c2ccccc2)CCOCC1 ZINC001303396678 1067924549 /nfs/dbraw/zinc/92/45/49/1067924549.db2.gz OYIJOQVSQLPFIC-UHFFFAOYSA-N 1 1 482.673 3.475 20 0 JGADMO Cc1noc(C)c1CCn1c(COc2ccccc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304882639 1067927826 /nfs/dbraw/zinc/92/78/26/1067927826.db2.gz ZXFJUCQARGBHLK-UHFFFAOYSA-N 1 1 486.592 3.391 20 0 JGADMO Cc1noc(C)c1CCn1c(COc2ccccc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304882639 1067927830 /nfs/dbraw/zinc/92/78/30/1067927830.db2.gz ZXFJUCQARGBHLK-UHFFFAOYSA-N 1 1 486.592 3.391 20 0 JGADMO Cc1noc(C)c1CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[N@H+](C)C(C)C ZINC001304884701 1067929101 /nfs/dbraw/zinc/92/91/01/1067929101.db2.gz VZMJLUPGUYBTBO-UHFFFAOYSA-N 1 1 478.601 3.164 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCCNc1ccccn1 ZINC001303402822 1067931653 /nfs/dbraw/zinc/93/16/53/1067931653.db2.gz OJKMLTRTOCDRMO-IBGZPJMESA-N 1 1 482.658 3.258 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001303407888 1067934950 /nfs/dbraw/zinc/93/49/50/1067934950.db2.gz KOHJHHLVGFPZPT-XMMPIXPASA-N 1 1 474.675 3.131 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCCN(C)c1ccccc1 ZINC001303409340 1067936145 /nfs/dbraw/zinc/93/61/45/1067936145.db2.gz OPUOLEBDEHZGRL-JOCHJYFZSA-N 1 1 453.635 3.007 20 0 JGADMO Cc1noc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)C2)n1 ZINC001304892136 1067936781 /nfs/dbraw/zinc/93/67/81/1067936781.db2.gz PALBYBLKJOEGMT-VQTJNVASSA-N 1 1 459.639 3.179 20 0 JGADMO Cc1noc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)C2)n1 ZINC001304892135 1067936799 /nfs/dbraw/zinc/93/67/99/1067936799.db2.gz PALBYBLKJOEGMT-UXHICEINSA-N 1 1 459.639 3.179 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303413300 1067939148 /nfs/dbraw/zinc/93/91/48/1067939148.db2.gz BUQODHPHZQPCPK-CTNGQTDRSA-N 1 1 488.539 3.168 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC[N@@H+](C)C(C)C ZINC001303414640 1067941578 /nfs/dbraw/zinc/94/15/78/1067941578.db2.gz MUAPTWQPRAYBBS-LJQANCHMSA-N 1 1 493.450 3.097 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304902372 1067946372 /nfs/dbraw/zinc/94/63/72/1067946372.db2.gz AEEVGPXPCCNISV-APWZRJJASA-N 1 1 476.572 3.334 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001304902796 1067947444 /nfs/dbraw/zinc/94/74/44/1067947444.db2.gz AUCCXARRFZRQKH-OFNKIYASSA-N 1 1 482.673 3.146 20 0 JGADMO CC(C)NC(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303422959 1067948283 /nfs/dbraw/zinc/94/82/83/1067948283.db2.gz IAJXKWGLBBODPL-MOPGFXCFSA-N 1 1 458.582 3.146 20 0 JGADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+](C)C1CCCC1 ZINC001304905336 1067949574 /nfs/dbraw/zinc/94/95/74/1067949574.db2.gz XOSAXYPBNHEAGN-MRXNPFEDSA-N 1 1 475.435 3.249 20 0 JGADMO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001303426566 1067951708 /nfs/dbraw/zinc/95/17/08/1067951708.db2.gz VBLDPNIYEIUQQS-RBBKRZOGSA-N 1 1 476.629 3.139 20 0 JGADMO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304909440 1067953071 /nfs/dbraw/zinc/95/30/71/1067953071.db2.gz DZIKGJDIOIBSFD-KDURUIRLSA-N 1 1 468.712 3.018 20 0 JGADMO CC(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303430893 1067955629 /nfs/dbraw/zinc/95/56/29/1067955629.db2.gz PTVNJPMYICIRNH-XMMPIXPASA-N 1 1 475.641 3.279 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CCCO)CC2)C1 ZINC001304912579 1067956436 /nfs/dbraw/zinc/95/64/36/1067956436.db2.gz QMBXTEGGYLOPKP-OYRHEFFESA-N 1 1 474.694 3.146 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)C1 ZINC001304913072 1067957301 /nfs/dbraw/zinc/95/73/01/1067957301.db2.gz SRZXSTQJMMALPR-ZCNNSNEGSA-N 1 1 451.681 3.317 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304913175 1067957614 /nfs/dbraw/zinc/95/76/14/1067957614.db2.gz UTWCXRSSGOAKHG-ZCNNSNEGSA-N 1 1 498.738 3.039 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001304914306 1067958297 /nfs/dbraw/zinc/95/82/97/1067958297.db2.gz YPYCHBWKBNGBJR-BGYRXZFFSA-N 1 1 488.702 3.034 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001304914252 1067958332 /nfs/dbraw/zinc/95/83/32/1067958332.db2.gz XYMGOQZCFFTKFP-KDURUIRLSA-N 1 1 482.739 3.141 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001303435460 1067958537 /nfs/dbraw/zinc/95/85/37/1067958537.db2.gz RZKUMENQEDNVPQ-ROUUACIJSA-N 1 1 458.582 3.002 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCC[C@H]1C ZINC001303436190 1067959558 /nfs/dbraw/zinc/95/95/58/1067959558.db2.gz QOZGCHIEQVDVGC-MRXNPFEDSA-N 1 1 463.424 3.153 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001304917608 1067960522 /nfs/dbraw/zinc/96/05/22/1067960522.db2.gz MEIDBXYPSROFAB-FAKFISEUSA-N 1 1 488.702 3.281 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@@H+](C)C1CCCC1 ZINC001303437710 1067962050 /nfs/dbraw/zinc/96/20/50/1067962050.db2.gz MVURMYSKFBZUAJ-UHFFFAOYSA-N 1 1 451.619 3.272 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303440966 1067963110 /nfs/dbraw/zinc/96/31/10/1067963110.db2.gz MCQJGIJIPYQUDM-REWPJTCUSA-N 1 1 484.645 3.406 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303441092 1067963563 /nfs/dbraw/zinc/96/35/63/1067963563.db2.gz OOMVAHQQURCFFH-SIKLNZKXSA-N 1 1 470.618 3.016 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923392 1067964325 /nfs/dbraw/zinc/96/43/25/1067964325.db2.gz DWXMLSMVUCYCDY-BHIFYINESA-N 1 1 484.693 3.292 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001303442207 1067964343 /nfs/dbraw/zinc/96/43/43/1067964343.db2.gz STIJRJTUHBWVJU-QFIPXVFZSA-N 1 1 456.635 3.369 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304923219 1067964788 /nfs/dbraw/zinc/96/47/88/1067964788.db2.gz AJBPRVCMPSTZBC-RZUBCFFCSA-N 1 1 460.667 3.370 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303443252 1067965102 /nfs/dbraw/zinc/96/51/02/1067965102.db2.gz IZVCVTFVBMKKRH-UHFFFAOYSA-N 1 1 465.646 3.364 20 0 JGADMO CC(C)NC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303443834 1067965991 /nfs/dbraw/zinc/96/59/91/1067965991.db2.gz FIMNRDFZIPLFKY-GOSISDBHSA-N 1 1 460.598 3.392 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cc4ccccc4o3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001304926829 1067971754 /nfs/dbraw/zinc/97/17/54/1067971754.db2.gz UAGFQQADEJCZRR-KDURUIRLSA-N 1 1 488.658 3.045 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926932 1067971852 /nfs/dbraw/zinc/97/18/52/1067971852.db2.gz UUDLXFIGCQVWBY-UBFVSLLYSA-N 1 1 489.753 3.001 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC001304927040 1067972359 /nfs/dbraw/zinc/97/23/59/1067972359.db2.gz HZVPGYJPWPORQX-BHIFYINESA-N 1 1 457.667 3.337 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001304927532 1067973808 /nfs/dbraw/zinc/97/38/08/1067973808.db2.gz VQXNYPJPJBGRTG-HBMCJLEFSA-N 1 1 495.734 3.332 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001304927685 1067974220 /nfs/dbraw/zinc/97/42/20/1067974220.db2.gz XTTQFIAKYXQRJR-OTWHNJEPSA-N 1 1 457.648 3.235 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2[C@@H]2CCCO2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928141 1067975238 /nfs/dbraw/zinc/97/52/38/1067975238.db2.gz SVJMDJWUODVLQE-LRSLUSHPSA-N 1 1 460.667 3.322 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2nccs2)C1 ZINC001304928197 1067975727 /nfs/dbraw/zinc/97/57/27/1067975727.db2.gz UHQKELLPDSQOJC-KDURUIRLSA-N 1 1 459.664 3.365 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304928304 1067975743 /nfs/dbraw/zinc/97/57/43/1067975743.db2.gz ZNDKTWMOHIFPJF-FUPPJEDESA-N 1 1 488.702 3.035 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928944 1067977008 /nfs/dbraw/zinc/97/70/08/1067977008.db2.gz SFJNQIVJYSUTDW-CIAFKFPVSA-N 1 1 460.667 3.239 20 0 JGADMO CC(C)[NH2+]C1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCSCC2)CC1 ZINC001303467007 1067986170 /nfs/dbraw/zinc/98/61/70/1067986170.db2.gz WYOAVBFDBSLIOI-UHFFFAOYSA-N 1 1 456.704 3.469 20 0 JGADMO C[C@H]1C[C@H](CCn2c(-c3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC001304938140 1067987138 /nfs/dbraw/zinc/98/71/38/1067987138.db2.gz LYADQMRZFORPFK-LEWJYISDSA-N 1 1 456.635 3.340 20 0 JGADMO C[C@H]1C[C@@H](CCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001304938692 1067987514 /nfs/dbraw/zinc/98/75/14/1067987514.db2.gz OIFIXRAVQXMHIY-RBBKRZOGSA-N 1 1 490.656 3.387 20 0 JGADMO C[C@H]1C[C@H](CCn2c(-c3ccc[nH]3)nnc2N(C)CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC001304943180 1067994474 /nfs/dbraw/zinc/99/44/74/1067994474.db2.gz ZHXGXSSBEZQPCJ-FPOVZHCZSA-N 1 1 470.643 3.055 20 0 JGADMO C[C@H]1C[C@H](N(C)c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304948835 1067999505 /nfs/dbraw/zinc/99/95/05/1067999505.db2.gz KLELOLNOJCDHPP-RBBKRZOGSA-N 1 1 463.630 3.251 20 0 JGADMO C[C@@H]1C[C@H](N(C)c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304948833 1067999686 /nfs/dbraw/zinc/99/96/86/1067999686.db2.gz KLELOLNOJCDHPP-IFMALSPDSA-N 1 1 463.630 3.251 20 0 JGADMO C[C@H]1C[C@H](N(C)c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304953821 1068001487 /nfs/dbraw/zinc/00/14/87/1068001487.db2.gz SPLPBYDXNMEWLA-NZQKXSOJSA-N 1 1 461.614 3.308 20 0 JGADMO C[C@H]1C[C@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304956343 1068002754 /nfs/dbraw/zinc/00/27/54/1068002754.db2.gz PDSQYYXGADTGFD-GBESFXJTSA-N 1 1 462.639 3.478 20 0 JGADMO C[C@H]1C[C@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304956343 1068002769 /nfs/dbraw/zinc/00/27/69/1068002769.db2.gz PDSQYYXGADTGFD-GBESFXJTSA-N 1 1 462.639 3.478 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001304958475 1068003695 /nfs/dbraw/zinc/00/36/95/1068003695.db2.gz ICIXPCAITQUDAZ-WTEVXDJOSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCCCS2)CCOC1 ZINC001303482162 1068004259 /nfs/dbraw/zinc/00/42/59/1068004259.db2.gz QDKLOHPDUDAGIK-SQJMNOBHSA-N 1 1 495.734 3.399 20 0 JGADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC001303485226 1068007818 /nfs/dbraw/zinc/00/78/18/1068007818.db2.gz CLSQGZVZRJGBDK-OAQYLSRUSA-N 1 1 452.942 3.110 20 0 JGADMO C[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001304969682 1068010221 /nfs/dbraw/zinc/01/02/21/1068010221.db2.gz ICQKDCSQBNCHLN-VAMGGRTRSA-N 1 1 451.681 3.460 20 0 JGADMO C[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001304970872 1068011114 /nfs/dbraw/zinc/01/11/14/1068011114.db2.gz JPYNCQVZBAIFLR-CGXNFDGLSA-N 1 1 451.681 3.460 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303489263 1068013157 /nfs/dbraw/zinc/01/31/57/1068013157.db2.gz JQRXTCJDKSRSCG-TZBSWOFLSA-N 1 1 463.667 3.302 20 0 JGADMO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC001304977683 1068016915 /nfs/dbraw/zinc/01/69/15/1068016915.db2.gz TUAFEUHRDNCWGN-VAMGGRTRSA-N 1 1 474.675 3.251 20 0 JGADMO COc1ccc2cc(/C=C\C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)ccc2c1 ZINC001303492150 1068017866 /nfs/dbraw/zinc/01/78/66/1068017866.db2.gz LNBULWKXLMRUOC-YJVFZOPDSA-N 1 1 457.574 3.363 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(CO)CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001303494255 1068019275 /nfs/dbraw/zinc/01/92/75/1068019275.db2.gz KBXDKOAXBYBFHV-DHLKQENFSA-N 1 1 492.064 3.484 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001304980952 1068020223 /nfs/dbraw/zinc/02/02/23/1068020223.db2.gz KWEUCAWHBDGGCD-IXDOHACOSA-N 1 1 479.716 3.483 20 0 JGADMO CC1CCC([NH+]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCS(C)(=O)=O)CC2)CC1 ZINC001304981085 1068020822 /nfs/dbraw/zinc/02/08/22/1068020822.db2.gz YRXQEPKDFPBBIF-LIKPIUCQSA-N 1 1 495.734 3.332 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304981405 1068021743 /nfs/dbraw/zinc/02/17/43/1068021743.db2.gz SHPWWWSWAWKNNU-HCXYKTFWSA-N 1 1 488.702 3.331 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303501843 1068030505 /nfs/dbraw/zinc/03/05/05/1068030505.db2.gz PLINZKSACYYPLO-QPPBQGQZSA-N 1 1 459.639 3.124 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303502397 1068032420 /nfs/dbraw/zinc/03/24/20/1068032420.db2.gz NHUGWZHIUMMIMV-CPJSRVTESA-N 1 1 494.681 3.105 20 0 JGADMO C[C@@H]1CCC[C@]1(O)Cn1c(CCc2ccccc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304995057 1068037354 /nfs/dbraw/zinc/03/73/54/1068037354.db2.gz LFLSETDGCUGFHZ-AMGIVPHBSA-N 1 1 469.674 3.409 20 0 JGADMO C[C@H]1CCC[C@]1(O)Cn1c(CCc2ccccc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304995059 1068037474 /nfs/dbraw/zinc/03/74/74/1068037474.db2.gz LFLSETDGCUGFHZ-CUNXSJBXSA-N 1 1 469.674 3.409 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)CCOC1 ZINC001303505417 1068039150 /nfs/dbraw/zinc/03/91/50/1068039150.db2.gz KOMDCELKRFUDOB-PXDATVDWSA-N 1 1 463.667 3.302 20 0 JGADMO C[C@H]1CCC[C@]1(O)Cn1c(COc2ccccc2F)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305001509 1068044057 /nfs/dbraw/zinc/04/40/57/1068044057.db2.gz QKUCABMMXSGOLB-FNZWTVRRSA-N 1 1 489.636 3.342 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCO[C@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001305004413 1068046613 /nfs/dbraw/zinc/04/66/13/1068046613.db2.gz LWHXBBOEACQGDY-YCSHWKNNSA-N 1 1 470.662 3.405 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCO[C@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001305004413 1068046630 /nfs/dbraw/zinc/04/66/30/1068046630.db2.gz LWHXBBOEACQGDY-YCSHWKNNSA-N 1 1 470.662 3.405 20 0 JGADMO CC(C)OC1CCN(c2nnc(C(C)(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001303516727 1068050063 /nfs/dbraw/zinc/05/00/63/1068050063.db2.gz AECQABUGPIMYGK-QHCPKHFHSA-N 1 1 451.681 3.177 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(-c3ccccc3F)n2CCNS(C)(=O)=O)CC1 ZINC001305012852 1068053622 /nfs/dbraw/zinc/05/36/22/1068053622.db2.gz BLWKYNBOGBQHAS-LJQANCHMSA-N 1 1 492.665 3.114 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001305013343 1068053792 /nfs/dbraw/zinc/05/37/92/1068053792.db2.gz GYMPYDBRPMSNII-IFMALSPDSA-N 1 1 495.734 3.476 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cccn2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305013382 1068053829 /nfs/dbraw/zinc/05/38/29/1068053829.db2.gz HKTBPURTUOYGGF-NHCUHLMSSA-N 1 1 476.691 3.342 20 0 JGADMO C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305014970 1068055991 /nfs/dbraw/zinc/05/59/91/1068055991.db2.gz IUAULBZCHRVGIW-DYXWJJEUSA-N 1 1 475.659 3.348 20 0 JGADMO C[C@@H]1COCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001305015310 1068057486 /nfs/dbraw/zinc/05/74/86/1068057486.db2.gz DEBPVGHWUXEORZ-RBUKOAKNSA-N 1 1 460.648 3.149 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC001305015808 1068057774 /nfs/dbraw/zinc/05/77/74/1068057774.db2.gz XDSJYBKXXBCRRU-RTBURBONSA-N 1 1 482.599 3.406 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001305015355 1068057851 /nfs/dbraw/zinc/05/78/51/1068057851.db2.gz DQPJQNODXLTPAU-LJQANCHMSA-N 1 1 455.651 3.178 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCCO1 ZINC001305015754 1068058860 /nfs/dbraw/zinc/05/88/60/1068058860.db2.gz DYOZMTCAIUEUDV-WOJBJXKFSA-N 1 1 455.607 3.195 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305015839 1068059219 /nfs/dbraw/zinc/05/92/19/1068059219.db2.gz FZCJINCMUCHWCJ-UXHICEINSA-N 1 1 499.685 3.469 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001303530511 1068059337 /nfs/dbraw/zinc/05/93/37/1068059337.db2.gz FIAGTKJTRKXWNK-IEBWSBKVSA-N 1 1 482.000 3.089 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001303530511 1068059344 /nfs/dbraw/zinc/05/93/44/1068059344.db2.gz FIAGTKJTRKXWNK-IEBWSBKVSA-N 1 1 482.000 3.089 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001305016633 1068059807 /nfs/dbraw/zinc/05/98/07/1068059807.db2.gz AAQPEYQCZOYOCA-CEMLEFRQSA-N 1 1 495.734 3.475 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001305016392 1068060085 /nfs/dbraw/zinc/06/00/85/1068060085.db2.gz IBBLEZRWYMEDJI-SFHVURJKSA-N 1 1 495.093 3.381 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001305017185 1068060529 /nfs/dbraw/zinc/06/05/29/1068060529.db2.gz DFWHJDBVCSWZJQ-AVRWGWEMSA-N 1 1 472.609 3.208 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305017355 1068061176 /nfs/dbraw/zinc/06/11/76/1068061176.db2.gz LEBVCUMBAOKPCI-WOJBJXKFSA-N 1 1 493.649 3.274 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001305018202 1068062660 /nfs/dbraw/zinc/06/26/60/1068062660.db2.gz HKVFCQRMZYDLAC-SFTDATJTSA-N 1 1 489.709 3.313 20 0 JGADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(CCc2ccccc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305018223 1068062993 /nfs/dbraw/zinc/06/29/93/1068062993.db2.gz HNUMSHKZDZWVAX-LEWJYISDSA-N 1 1 452.647 3.241 20 0 JGADMO CC(C)OC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCO1 ZINC001303535460 1068063640 /nfs/dbraw/zinc/06/36/40/1068063640.db2.gz DSXBHLNHKDGWPP-BJKOFHAPSA-N 1 1 485.673 3.112 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305019896 1068067002 /nfs/dbraw/zinc/06/70/02/1068067002.db2.gz OBDGFIHWHSYGHW-IEBWSBKVSA-N 1 1 465.689 3.064 20 0 JGADMO CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001303538336 1068067304 /nfs/dbraw/zinc/06/73/04/1068067304.db2.gz DDCVQWSZRIXXTJ-PXNSSMCTSA-N 1 1 495.466 3.398 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305020110 1068067469 /nfs/dbraw/zinc/06/74/69/1068067469.db2.gz SUIWSPWVSIUHFF-FQEVSTJZSA-N 1 1 483.665 3.020 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305020401 1068067981 /nfs/dbraw/zinc/06/79/81/1068067981.db2.gz PLARPQWEYGYZBF-MOPGFXCFSA-N 1 1 472.609 3.208 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)cc2)C1 ZINC001305020550 1068068608 /nfs/dbraw/zinc/06/86/08/1068068608.db2.gz REFQJQLZRHBIJS-ICSRJNTNSA-N 1 1 477.650 3.466 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305020573 1068068755 /nfs/dbraw/zinc/06/87/55/1068068755.db2.gz CHCOOZQHEHWQPY-IEBWSBKVSA-N 1 1 493.578 3.355 20 0 JGADMO CC(C)OC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305020453 1068068786 /nfs/dbraw/zinc/06/87/86/1068068786.db2.gz QSUQGOCXTUHPMH-PMACEKPBSA-N 1 1 481.707 3.085 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)cc2)C1 ZINC001305020552 1068068879 /nfs/dbraw/zinc/06/88/79/1068068879.db2.gz REFQJQLZRHBIJS-QUCCMNQESA-N 1 1 477.650 3.466 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305021296 1068069302 /nfs/dbraw/zinc/06/93/02/1068069302.db2.gz ULFKOYFEDAPCEY-OALUTQOASA-N 1 1 453.697 3.391 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001303539407 1068069248 /nfs/dbraw/zinc/06/92/48/1068069248.db2.gz SUZQYCXFLJLNKX-PMACEKPBSA-N 1 1 461.582 3.111 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)CC1 ZINC001305020866 1068069661 /nfs/dbraw/zinc/06/96/61/1068069661.db2.gz WBWXCJGRNCXNQG-LJQANCHMSA-N 1 1 463.623 3.220 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Nc2ccn(C)n2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001305021079 1068069955 /nfs/dbraw/zinc/06/99/55/1068069955.db2.gz PZDOGICQXCCOLN-RTBURBONSA-N 1 1 488.637 3.328 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305021598 1068070157 /nfs/dbraw/zinc/07/01/57/1068070157.db2.gz YEXWEWDKOPWERB-PXNSSMCTSA-N 1 1 497.612 3.434 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001305021551 1068070686 /nfs/dbraw/zinc/07/06/86/1068070686.db2.gz TXPOOWNUTGYKHS-JOCHJYFZSA-N 1 1 481.689 3.469 20 0 JGADMO CC(C)OCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303543072 1068071513 /nfs/dbraw/zinc/07/15/13/1068071513.db2.gz KXBIDRJPACGVSW-QFIPXVFZSA-N 1 1 481.707 3.088 20 0 JGADMO CC(C)OCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303543960 1068072545 /nfs/dbraw/zinc/07/25/45/1068072545.db2.gz XDARFVFWWMLPBW-NZQKXSOJSA-N 1 1 459.610 3.370 20 0 JGADMO CC(C)OCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303546954 1068074146 /nfs/dbraw/zinc/07/41/46/1068074146.db2.gz PMRYURWQUNDJCC-KRWDZBQOSA-N 1 1 481.439 3.009 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305022895 1068074546 /nfs/dbraw/zinc/07/45/46/1068074546.db2.gz DPNBEGKKSJABBW-IRXDYDNUSA-N 1 1 494.482 3.365 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305022836 1068074870 /nfs/dbraw/zinc/07/48/70/1068074870.db2.gz OEFIAVRKHKTTGC-ROUUACIJSA-N 1 1 463.623 3.218 20 0 JGADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305023124 1068075122 /nfs/dbraw/zinc/07/51/22/1068075122.db2.gz ASHFHEURGNWJNV-MSOLQXFVSA-N 1 1 483.629 3.138 20 0 JGADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023442 1068076864 /nfs/dbraw/zinc/07/68/64/1068076864.db2.gz HNZIYJHRNDQDBW-ZRNYENFQSA-N 1 1 474.675 3.132 20 0 JGADMO CC(C)OCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001303550322 1068077006 /nfs/dbraw/zinc/07/70/06/1068077006.db2.gz NHLQMFWUBUQZGI-JTHBVZDNSA-N 1 1 489.686 3.096 20 0 JGADMO CC(C)OCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303550322 1068077021 /nfs/dbraw/zinc/07/70/21/1068077021.db2.gz NHLQMFWUBUQZGI-JTHBVZDNSA-N 1 1 489.686 3.096 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023973 1068077207 /nfs/dbraw/zinc/07/72/07/1068077207.db2.gz JKISXKVZTINDNT-MBOZVWFJSA-N 1 1 466.051 3.342 20 0 JGADMO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023616 1068077364 /nfs/dbraw/zinc/07/73/64/1068077364.db2.gz CGTSAQBEGSUYID-AABGKKOBSA-N 1 1 462.639 3.307 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305024125 1068077783 /nfs/dbraw/zinc/07/77/83/1068077783.db2.gz WJLBUNPIAWRIIG-GOSISDBHSA-N 1 1 470.618 3.145 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024010 1068078101 /nfs/dbraw/zinc/07/81/01/1068078101.db2.gz JZSJEBLADZZSEF-QYZOEREBSA-N 1 1 467.584 3.477 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305024559 1068078844 /nfs/dbraw/zinc/07/88/44/1068078844.db2.gz ZOVMFCLBIUUALT-SJLPKXTDSA-N 1 1 481.066 3.127 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024690 1068079291 /nfs/dbraw/zinc/07/92/91/1068079291.db2.gz HLNFGRLYSUWZOL-UMEGOILYSA-N 1 1 457.667 3.473 20 0 JGADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305024689 1068079346 /nfs/dbraw/zinc/07/93/46/1068079346.db2.gz HLNFGRLYSUWZOL-RNHFSVANSA-N 1 1 457.667 3.473 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025107 1068079594 /nfs/dbraw/zinc/07/95/94/1068079594.db2.gz KUFAIPHIQLRTFR-DXIQSLLYSA-N 1 1 454.619 3.375 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305025090 1068079799 /nfs/dbraw/zinc/07/97/99/1068079799.db2.gz KGKUGBQNGUITID-QHAWAJNXSA-N 1 1 460.667 3.034 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025439 1068080114 /nfs/dbraw/zinc/08/01/14/1068080114.db2.gz RCRJDSXNZBKBEH-MSOLQXFVSA-N 1 1 451.541 3.145 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025427 1068080196 /nfs/dbraw/zinc/08/01/96/1068080196.db2.gz QZRKNAQTLYPDEJ-DLBZAZTESA-N 1 1 460.026 3.206 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305025429 1068080371 /nfs/dbraw/zinc/08/03/71/1068080371.db2.gz QZRKNAQTLYPDEJ-IRXDYDNUSA-N 1 1 460.026 3.206 20 0 JGADMO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025585 1068080623 /nfs/dbraw/zinc/08/06/23/1068080623.db2.gz NLEXAQWABWMNHJ-GGPKGHCWSA-N 1 1 462.639 3.306 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025549 1068080997 /nfs/dbraw/zinc/08/09/97/1068080997.db2.gz NHLIPPCDTQJSPA-KCZVDYSFSA-N 1 1 489.686 3.332 20 0 JGADMO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001303555218 1068080946 /nfs/dbraw/zinc/08/09/46/1068080946.db2.gz YUTIWIWAVJMSRL-NRFANRHFSA-N 1 1 460.667 3.420 20 0 JGADMO C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305025508 1068081108 /nfs/dbraw/zinc/08/11/08/1068081108.db2.gz RURBNVWIPGUELC-AQNXPRMDSA-N 1 1 484.670 3.483 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026629 1068082066 /nfs/dbraw/zinc/08/20/66/1068082066.db2.gz XAFDFBCVFGBTDG-MSOLQXFVSA-N 1 1 495.093 3.237 20 0 JGADMO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026316 1068082384 /nfs/dbraw/zinc/08/23/84/1068082384.db2.gz WDDZHWSEQQOPNI-UXHICEINSA-N 1 1 461.054 3.487 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305026923 1068082811 /nfs/dbraw/zinc/08/28/11/1068082811.db2.gz SCWSMLGNLCMERM-FCHUYYIVSA-N 1 1 470.710 3.433 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305026923 1068082824 /nfs/dbraw/zinc/08/28/24/1068082824.db2.gz SCWSMLGNLCMERM-FCHUYYIVSA-N 1 1 470.710 3.433 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(OC3CCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305026657 1068082852 /nfs/dbraw/zinc/08/28/52/1068082852.db2.gz XGVYEHCQIPDFRY-PMACEKPBSA-N 1 1 460.667 3.465 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC001305026962 1068083365 /nfs/dbraw/zinc/08/33/65/1068083365.db2.gz SNRKJTCWFLDQBL-IKGGRYGDSA-N 1 1 469.556 3.291 20 0 JGADMO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028563 1068085139 /nfs/dbraw/zinc/08/51/39/1068085139.db2.gz ZVPUPSZRYIFELY-SBHAEUEKSA-N 1 1 451.681 3.173 20 0 JGADMO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028645 1068085876 /nfs/dbraw/zinc/08/58/76/1068085876.db2.gz IFJSRCSAYZUPEH-GIWBLDEGSA-N 1 1 489.686 3.033 20 0 JGADMO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028565 1068085943 /nfs/dbraw/zinc/08/59/43/1068085943.db2.gz ZVPUPSZRYIFELY-SVFBPWRDSA-N 1 1 451.681 3.173 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305028573 1068086133 /nfs/dbraw/zinc/08/61/33/1068086133.db2.gz ZZAHUADHPMVUJA-XPNTWCBSSA-N 1 1 467.662 3.125 20 0 JGADMO C[C@H](Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001305030502 1068088656 /nfs/dbraw/zinc/08/86/56/1068088656.db2.gz WCEYNKAMJPBTRM-ZACQAIPSSA-N 1 1 458.573 3.201 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001303566449 1068088854 /nfs/dbraw/zinc/08/88/54/1068088854.db2.gz CENDSWJAJMLKRR-UHFFFAOYSA-N 1 1 470.540 3.333 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C)CC1 ZINC001305032150 1068089535 /nfs/dbraw/zinc/08/95/35/1068089535.db2.gz FEPUOWALYZUVLA-PMACEKPBSA-N 1 1 476.691 3.403 20 0 JGADMO CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303566799 1068089917 /nfs/dbraw/zinc/08/99/17/1068089917.db2.gz KIISQCJTYDYWDQ-VNTMZGSJSA-N 1 1 462.639 3.147 20 0 JGADMO CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303566798 1068089949 /nfs/dbraw/zinc/08/99/49/1068089949.db2.gz KIISQCJTYDYWDQ-HAGHYFMRSA-N 1 1 462.639 3.147 20 0 JGADMO CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001303567782 1068091453 /nfs/dbraw/zinc/09/14/53/1068091453.db2.gz ZPHVRBIQQGZZLF-BGYRXZFFSA-N 1 1 494.681 3.021 20 0 JGADMO CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001303567782 1068091466 /nfs/dbraw/zinc/09/14/66/1068091466.db2.gz ZPHVRBIQQGZZLF-BGYRXZFFSA-N 1 1 494.681 3.021 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001303570040 1068092967 /nfs/dbraw/zinc/09/29/67/1068092967.db2.gz NGNWNAJZKCZKND-UHFFFAOYSA-N 1 1 472.600 3.367 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C3CC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001303570008 1068093012 /nfs/dbraw/zinc/09/30/12/1068093012.db2.gz MUFJCXCJNPRDTD-UHFFFAOYSA-N 1 1 455.651 3.423 20 0 JGADMO C[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001305036985 1068093082 /nfs/dbraw/zinc/09/30/82/1068093082.db2.gz XRZWOIDBONOKMM-DOTOQJQBSA-N 1 1 451.413 3.119 20 0 JGADMO C[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001305037157 1068093327 /nfs/dbraw/zinc/09/33/27/1068093327.db2.gz AWJJGCDANICGOI-RTWAWAEBSA-N 1 1 474.650 3.475 20 0 JGADMO C[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001305036986 1068093400 /nfs/dbraw/zinc/09/34/00/1068093400.db2.gz XRZWOIDBONOKMM-NVXWUHKLSA-N 1 1 451.413 3.119 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001303570225 1068093594 /nfs/dbraw/zinc/09/35/94/1068093594.db2.gz CEXODUZTKFLWJB-UHFFFAOYSA-N 1 1 469.659 3.439 20 0 JGADMO C[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001305039720 1068094515 /nfs/dbraw/zinc/09/45/15/1068094515.db2.gz NUUHMCATJKUUHT-BHIFYINESA-N 1 1 490.693 3.476 20 0 JGADMO C[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001305039722 1068094546 /nfs/dbraw/zinc/09/45/46/1068094546.db2.gz NUUHMCATJKUUHT-FSSWDIPSSA-N 1 1 490.693 3.476 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2Cc2c(F)cc(F)c(F)c2F)CC1 ZINC001303571898 1068096802 /nfs/dbraw/zinc/09/68/02/1068096802.db2.gz RQDGXSQGKKDSSV-UHFFFAOYSA-N 1 1 492.521 3.416 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001303572512 1068097936 /nfs/dbraw/zinc/09/79/36/1068097936.db2.gz JWUHOFRATAKYHC-RTWAWAEBSA-N 1 1 475.609 3.216 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)N3CCCC3)nnc2N(C)CCCOc2ccc(F)cc2)C1 ZINC001305044309 1068101290 /nfs/dbraw/zinc/10/12/90/1068101290.db2.gz ZIXLUGPBUXZGGA-FQEVSTJZSA-N 1 1 472.609 3.290 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001305044284 1068101369 /nfs/dbraw/zinc/10/13/69/1068101369.db2.gz YZUPCWAZMBISRY-WOJBJXKFSA-N 1 1 472.609 3.175 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001305044939 1068102459 /nfs/dbraw/zinc/10/24/59/1068102459.db2.gz CRDLPXCLRDWCGB-FQEVSTJZSA-N 1 1 499.685 3.231 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001305046336 1068103944 /nfs/dbraw/zinc/10/39/44/1068103944.db2.gz IOTOBZGYEBPZFV-LJQANCHMSA-N 1 1 467.584 3.480 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305046122 1068104021 /nfs/dbraw/zinc/10/40/21/1068104021.db2.gz HGAKSSUUBYWTHK-NCYKPQTJSA-N 1 1 476.666 3.253 20 0 JGADMO C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305047432 1068105898 /nfs/dbraw/zinc/10/58/98/1068105898.db2.gz GNSASGMJUXFQTD-QJUOVVKFSA-N 1 1 490.737 3.474 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(N(C)CCCS(C)(=O)=O)nnc2C2(c3ccccc3)CCC2)C1 ZINC001305048589 1068107962 /nfs/dbraw/zinc/10/79/62/1068107962.db2.gz KKKXWIFRGFVSTJ-NRFANRHFSA-N 1 1 473.687 3.351 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001305049121 1068108521 /nfs/dbraw/zinc/10/85/21/1068108521.db2.gz NZTKNNNEJCHKTK-BRSBDYLESA-N 1 1 456.557 3.376 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305049148 1068108546 /nfs/dbraw/zinc/10/85/46/1068108546.db2.gz OQWOEJADJIZFRN-KNKQGSTJSA-N 1 1 470.618 3.003 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(CCOc3ccccc3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001305049580 1068109031 /nfs/dbraw/zinc/10/90/31/1068109031.db2.gz OKPHBUNSKMNTPA-QFIPXVFZSA-N 1 1 482.673 3.326 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305050031 1068110368 /nfs/dbraw/zinc/11/03/68/1068110368.db2.gz QNDNAKSFSIWFTB-RBUKOAKNSA-N 1 1 495.640 3.283 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001305050529 1068112554 /nfs/dbraw/zinc/11/25/54/1068112554.db2.gz SWERJCYHMYLLQY-QYZOEREBSA-N 1 1 486.583 3.289 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001305050970 1068112927 /nfs/dbraw/zinc/11/29/27/1068112927.db2.gz YQGIMGJHTCTRLM-DENIHFKCSA-N 1 1 475.659 3.292 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305051086 1068113608 /nfs/dbraw/zinc/11/36/08/1068113608.db2.gz OFGMXZNURJPSEL-LEWJYISDSA-N 1 1 453.635 3.061 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305051093 1068113806 /nfs/dbraw/zinc/11/38/06/1068113806.db2.gz UPGXOUDBRUUZIR-RBUKOAKNSA-N 1 1 458.582 3.006 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305051123 1068114318 /nfs/dbraw/zinc/11/43/18/1068114318.db2.gz OJZWOZCAWCCWRX-ROUUACIJSA-N 1 1 458.632 3.028 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001305051526 1068114925 /nfs/dbraw/zinc/11/49/25/1068114925.db2.gz PLZWIYUFBWJFON-LJQANCHMSA-N 1 1 455.607 3.129 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305051544 1068115063 /nfs/dbraw/zinc/11/50/63/1068115063.db2.gz POAJDPGKYNXCSI-SJLPKXTDSA-N 1 1 475.435 3.141 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001305051522 1068115102 /nfs/dbraw/zinc/11/51/02/1068115102.db2.gz PLZWIYUFBWJFON-IBGZPJMESA-N 1 1 455.607 3.129 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCC[C@H](C)C2)CC(=O)N1C ZINC001305052562 1068116113 /nfs/dbraw/zinc/11/61/13/1068116113.db2.gz UXNZTCGHSMIVJE-DLBZAZTESA-N 1 1 475.435 3.106 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001305052172 1068116123 /nfs/dbraw/zinc/11/61/23/1068116123.db2.gz ZNPDJEXLUOKMNS-YADHBBJMSA-N 1 1 456.635 3.482 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001305052154 1068116155 /nfs/dbraw/zinc/11/61/55/1068116155.db2.gz ZCEDJORLGVRGKS-FGZHOGPDSA-N 1 1 474.694 3.379 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001305052393 1068116187 /nfs/dbraw/zinc/11/61/87/1068116187.db2.gz SRYGUWYKQJMUSA-GJZGRUSLSA-N 1 1 451.402 3.295 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305053694 1068117502 /nfs/dbraw/zinc/11/75/02/1068117502.db2.gz ZZHFYSGLACULNJ-OAGGEKHMSA-N 1 1 451.413 3.381 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001305057689 1068119792 /nfs/dbraw/zinc/11/97/92/1068119792.db2.gz BHJHTFIBUIILQC-QAPCUYQASA-N 1 1 450.509 3.369 20 0 JGADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCC[C@H]1C ZINC001305057343 1068119817 /nfs/dbraw/zinc/11/98/17/1068119817.db2.gz BCVQMAQTOACHEZ-ZACQAIPSSA-N 1 1 454.040 3.341 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001305057374 1068119842 /nfs/dbraw/zinc/11/98/42/1068119842.db2.gz BOBWGPAWGDFILI-IERDGZPVSA-N 1 1 452.525 3.354 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001305057377 1068119967 /nfs/dbraw/zinc/11/99/67/1068119967.db2.gz BOBWGPAWGDFILI-KKSFZXQISA-N 1 1 452.525 3.354 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccccc1F ZINC001305058173 1068120298 /nfs/dbraw/zinc/12/02/98/1068120298.db2.gz FSKXZFKXIYLLEQ-GOSISDBHSA-N 1 1 451.550 3.228 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305058659 1068121537 /nfs/dbraw/zinc/12/15/37/1068121537.db2.gz IMVGGVRSJUVAAX-IBGZPJMESA-N 1 1 469.634 3.242 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1 ZINC001305058648 1068121654 /nfs/dbraw/zinc/12/16/54/1068121654.db2.gz IDNZTPZXEUMSSU-OALUTQOASA-N 1 1 464.680 3.430 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001305059326 1068122898 /nfs/dbraw/zinc/12/28/98/1068122898.db2.gz LBIOEZXTOMLYFN-LSDHHAIUSA-N 1 1 481.464 3.345 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305059404 1068123082 /nfs/dbraw/zinc/12/30/82/1068123082.db2.gz MFNGLUBZIPYHPW-UXHICEINSA-N 1 1 471.650 3.461 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001305060302 1068124399 /nfs/dbraw/zinc/12/43/99/1068124399.db2.gz VOHDIHCBKINEJC-NVXWUHKLSA-N 1 1 470.014 3.093 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001305060784 1068125685 /nfs/dbraw/zinc/12/56/85/1068125685.db2.gz CYWUAHBJEONESW-IXDOHACOSA-N 1 1 466.602 3.481 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001305061812 1068127725 /nfs/dbraw/zinc/12/77/25/1068127725.db2.gz IGAGSTSFNFQLOV-SFHVURJKSA-N 1 1 461.010 3.053 20 0 JGADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CC=CCC1 ZINC001303600389 1068128465 /nfs/dbraw/zinc/12/84/65/1068128465.db2.gz HNGTZHSHUUOWNG-SFHVURJKSA-N 1 1 486.667 3.037 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001305062036 1068128790 /nfs/dbraw/zinc/12/87/90/1068128790.db2.gz LLJZXWQBVHKJBK-IBGZPJMESA-N 1 1 468.646 3.341 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305062087 1068128836 /nfs/dbraw/zinc/12/88/36/1068128836.db2.gz WYVQXJDFFOTLCM-KBPBESRZSA-N 1 1 490.493 3.123 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)F)CC1 ZINC001305062948 1068130579 /nfs/dbraw/zinc/13/05/79/1068130579.db2.gz SNMQECBABWBOSU-NLWGTHIKSA-N 1 1 454.610 3.068 20 0 JGADMO C[C@@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303602388 1068132706 /nfs/dbraw/zinc/13/27/06/1068132706.db2.gz MEYUTQMMXKTLBG-UGKGYDQZSA-N 1 1 450.587 3.014 20 0 JGADMO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CC[N@@H+](C)C1CCCC1 ZINC001303605131 1068137714 /nfs/dbraw/zinc/13/77/14/1068137714.db2.gz AXNZYIQGQDKFHS-IFMALSPDSA-N 1 1 468.646 3.312 20 0 JGADMO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CC=CCC1 ZINC001303606738 1068141538 /nfs/dbraw/zinc/14/15/38/1068141538.db2.gz PWGJORWARYPCHN-JOCHJYFZSA-N 1 1 473.625 3.182 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001305073306 1068146827 /nfs/dbraw/zinc/14/68/27/1068146827.db2.gz CZJVMHQATYLXAL-CMKODMSKSA-N 1 1 480.704 3.269 20 0 JGADMO C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303620912 1068153005 /nfs/dbraw/zinc/15/30/05/1068153005.db2.gz KQERSNDABVPUOB-TZIWHRDSSA-N 1 1 471.627 3.493 20 0 JGADMO C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001305092511 1068160638 /nfs/dbraw/zinc/16/06/38/1068160638.db2.gz UQWDUPHVPTZYNT-FQEVSTJZSA-N 1 1 478.645 3.121 20 0 JGADMO O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305094520 1068161832 /nfs/dbraw/zinc/16/18/32/1068161832.db2.gz IFBZVDQCNPUFFI-SQNIBIBYSA-N 1 1 460.372 3.189 20 0 JGADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(F)F)CC1 ZINC001303631007 1068162088 /nfs/dbraw/zinc/16/20/88/1068162088.db2.gz UJQRAOUYEJJSJQ-QGZVFWFLSA-N 1 1 482.601 3.131 20 0 JGADMO CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001305102780 1068168831 /nfs/dbraw/zinc/16/88/31/1068168831.db2.gz ZUCAYXQXXNRDEW-RTWAWAEBSA-N 1 1 476.666 3.433 20 0 JGADMO CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001305102781 1068168853 /nfs/dbraw/zinc/16/88/53/1068168853.db2.gz ZUCAYXQXXNRDEW-SFTDATJTSA-N 1 1 476.666 3.433 20 0 JGADMO C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001305108575 1068178071 /nfs/dbraw/zinc/17/80/71/1068178071.db2.gz UJUVGHSPIQPNJW-QZTJIDSGSA-N 1 1 451.662 3.171 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001303651638 1068180567 /nfs/dbraw/zinc/18/05/67/1068180567.db2.gz CCIMVBAKCOPVHR-OALUTQOASA-N 1 1 479.629 3.314 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@@H+](C)C1CCCCC1 ZINC001303652680 1068182749 /nfs/dbraw/zinc/18/27/49/1068182749.db2.gz JVSYZNWMFDFLCZ-IBGZPJMESA-N 1 1 451.619 3.246 20 0 JGADMO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC001305111418 1068182849 /nfs/dbraw/zinc/18/28/49/1068182849.db2.gz CGUNWHUXDTWYFU-DNVJHFABSA-N 1 1 489.753 3.068 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001303654336 1068185533 /nfs/dbraw/zinc/18/55/33/1068185533.db2.gz UBEYJCDUILYSKN-WIYYLYMNSA-N 1 1 472.609 3.493 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001303654441 1068186648 /nfs/dbraw/zinc/18/66/48/1068186648.db2.gz VINWVWXSLYEYQU-XUZZJYLKSA-N 1 1 475.641 3.266 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccccc2)C[C@H](C)O1 ZINC001305112571 1068187453 /nfs/dbraw/zinc/18/74/53/1068187453.db2.gz MRYDDEUVFAYHTM-QHAWAJNXSA-N 1 1 457.619 3.185 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305112748 1068187963 /nfs/dbraw/zinc/18/79/63/1068187963.db2.gz JJSBFLFGHQVZIS-OKZBNKHCSA-N 1 1 460.589 3.362 20 0 JGADMO C[C@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(Cl)ccn2)C[C@H](C)O1 ZINC001305112939 1068187970 /nfs/dbraw/zinc/18/79/70/1068187970.db2.gz KVSLDJJCHXFOOT-ROUUACIJSA-N 1 1 490.052 3.087 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3CCO[C@H](c4nccs4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112933 1068188593 /nfs/dbraw/zinc/18/85/93/1068188593.db2.gz QRZSAMDXNXZBLT-KSZLIROESA-N 1 1 462.664 3.498 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(CCO)Cc2ccccc2)C[C@H](C)O1 ZINC001305113663 1068190541 /nfs/dbraw/zinc/19/05/41/1068190541.db2.gz VJOXOKLWHMWDLB-SZPZYZBQSA-N 1 1 478.641 3.151 20 0 JGADMO C[C@H](Cc1cccs1)Cn1c(-c2cnccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001303658438 1068190990 /nfs/dbraw/zinc/19/09/90/1068190990.db2.gz UJLMKYLLHPCZIF-LJQANCHMSA-N 1 1 469.659 3.470 20 0 JGADMO CC(C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305115064 1068193410 /nfs/dbraw/zinc/19/34/10/1068193410.db2.gz WCNYWTJEMHHAFV-KDURUIRLSA-N 1 1 455.651 3.313 20 0 JGADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305116841 1068196055 /nfs/dbraw/zinc/19/60/55/1068196055.db2.gz ISHSHONDGIAPPL-APWZRJJASA-N 1 1 489.462 3.495 20 0 JGADMO C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC001303664541 1068197368 /nfs/dbraw/zinc/19/73/68/1068197368.db2.gz VXJQONGCCYJQIP-NRFANRHFSA-N 1 1 468.646 3.288 20 0 JGADMO C[C@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303666022 1068199350 /nfs/dbraw/zinc/19/93/50/1068199350.db2.gz WELSZPYATWIAIM-IRLDBZIGSA-N 1 1 497.669 3.049 20 0 JGADMO C[C@H](CCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303666737 1068200476 /nfs/dbraw/zinc/20/04/76/1068200476.db2.gz LPHAGLZFORNGNR-RTWAWAEBSA-N 1 1 468.646 3.315 20 0 JGADMO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC001303666661 1068200514 /nfs/dbraw/zinc/20/05/14/1068200514.db2.gz DWCOMSWFPKXGLZ-SJBKTWHCSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303668005 1068203020 /nfs/dbraw/zinc/20/30/20/1068203020.db2.gz WQSWRWSCDNVFOR-ACIOBRDBSA-N 1 1 489.686 3.444 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)Cc2ccccc2)CC(C)(C)O1 ZINC001305121200 1068203596 /nfs/dbraw/zinc/20/35/96/1068203596.db2.gz OFJRVDBFNUUWRH-HXUWFJFHSA-N 1 1 454.619 3.040 20 0 JGADMO COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001303669218 1068203851 /nfs/dbraw/zinc/20/38/51/1068203851.db2.gz FWZLUHFXWXHSDL-DENIHFKCSA-N 1 1 452.448 3.481 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C)C2)C1 ZINC001305121787 1068204562 /nfs/dbraw/zinc/20/45/62/1068204562.db2.gz JIVYCOAQVFTXGY-UYAOXDASSA-N 1 1 475.037 3.207 20 0 JGADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1N1CCOCC1 ZINC001305127268 1068213551 /nfs/dbraw/zinc/21/35/51/1068213551.db2.gz KWTVBIPDPHPOLT-FYYLOGMGSA-N 1 1 454.663 3.255 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)S1 ZINC001305131787 1068216693 /nfs/dbraw/zinc/21/66/93/1068216693.db2.gz DZFOGGAXXWACBX-HOTGVXAUSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)S1 ZINC001305131787 1068216703 /nfs/dbraw/zinc/21/67/03/1068216703.db2.gz DZFOGGAXXWACBX-HOTGVXAUSA-N 1 1 497.507 3.487 20 0 JGADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001303682751 1068219636 /nfs/dbraw/zinc/21/96/36/1068219636.db2.gz FYMAEOMJEKYKDC-AABGKKOBSA-N 1 1 462.664 3.225 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC001305135551 1068223627 /nfs/dbraw/zinc/22/36/27/1068223627.db2.gz HKWAANCJIQJEQM-QGZVFWFLSA-N 1 1 478.435 3.434 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@@H](C)C1 ZINC001305136712 1068226296 /nfs/dbraw/zinc/22/62/96/1068226296.db2.gz XIVZJGVXSFSMAQ-CVEARBPZSA-N 1 1 451.413 3.146 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@H](C)C1 ZINC001305136719 1068226372 /nfs/dbraw/zinc/22/63/72/1068226372.db2.gz XIVZJGVXSFSMAQ-HZPDHXFCSA-N 1 1 451.413 3.146 20 0 JGADMO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305137593 1068228231 /nfs/dbraw/zinc/22/82/31/1068228231.db2.gz VYSHASKCMCDIAO-WTGUMLROSA-N 1 1 494.731 3.129 20 0 JGADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303691162 1068230781 /nfs/dbraw/zinc/23/07/81/1068230781.db2.gz BLDPBAUWSUYEJX-HOTGVXAUSA-N 1 1 488.434 3.256 20 0 JGADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC001303691616 1068231528 /nfs/dbraw/zinc/23/15/28/1068231528.db2.gz GAOOBGFUKSILLI-HNNXBMFYSA-N 1 1 451.413 3.383 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001305138721 1068231894 /nfs/dbraw/zinc/23/18/94/1068231894.db2.gz QYJKUAQFXGXTDJ-ROUUACIJSA-N 1 1 478.588 3.186 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001305138721 1068231900 /nfs/dbraw/zinc/23/19/00/1068231900.db2.gz QYJKUAQFXGXTDJ-ROUUACIJSA-N 1 1 478.588 3.186 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001305138721 1068231907 /nfs/dbraw/zinc/23/19/07/1068231907.db2.gz QYJKUAQFXGXTDJ-ROUUACIJSA-N 1 1 478.588 3.186 20 0 JGADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001303691822 1068232346 /nfs/dbraw/zinc/23/23/46/1068232346.db2.gz JXMSZXFLUXLDFM-HNNXBMFYSA-N 1 1 451.413 3.383 20 0 JGADMO C[C@H](Cc1cccs1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305139198 1068232623 /nfs/dbraw/zinc/23/26/23/1068232623.db2.gz WEKOMKVKICQAMP-QYZOEREBSA-N 1 1 494.731 3.139 20 0 JGADMO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001305140211 1068233998 /nfs/dbraw/zinc/23/39/98/1068233998.db2.gz YZIJMSPVEUAISB-SLFFLAALSA-N 1 1 474.675 3.003 20 0 JGADMO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CCOCC1CC1)[NH+]1CCOCC1 ZINC001303692391 1068234088 /nfs/dbraw/zinc/23/40/88/1068234088.db2.gz WMCSUPUUVRBSHP-QGZVFWFLSA-N 1 1 478.435 3.291 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC001303693053 1068235214 /nfs/dbraw/zinc/23/52/14/1068235214.db2.gz BSKSTWRJWMZABQ-KRWDZBQOSA-N 1 1 462.042 3.023 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC001303693054 1068235313 /nfs/dbraw/zinc/23/53/13/1068235313.db2.gz BSKSTWRJWMZABQ-QGZVFWFLSA-N 1 1 462.042 3.023 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccccc1)[NH+]1CCOCC1 ZINC001303694462 1068237117 /nfs/dbraw/zinc/23/71/17/1068237117.db2.gz OKVSCKMCVKRQQJ-SFHVURJKSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccccc1)[NH+]1CCOCC1 ZINC001303694459 1068237356 /nfs/dbraw/zinc/23/73/56/1068237356.db2.gz OKVSCKMCVKRQQJ-GOSISDBHSA-N 1 1 456.978 3.229 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001305141928 1068238048 /nfs/dbraw/zinc/23/80/48/1068238048.db2.gz CAXOETXLMLMFHJ-OALUTQOASA-N 1 1 477.700 3.411 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303700065 1068243129 /nfs/dbraw/zinc/24/31/29/1068243129.db2.gz NIIWFYMVYJGOFU-MJGOQNOKSA-N 1 1 453.509 3.214 20 0 JGADMO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)N1CCOCC1 ZINC001303700905 1068244676 /nfs/dbraw/zinc/24/46/76/1068244676.db2.gz UNLHRWKEOIURNH-FQEVSTJZSA-N 1 1 491.080 3.114 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001305145230 1068245905 /nfs/dbraw/zinc/24/59/05/1068245905.db2.gz FLCHWAHJLLGUBO-STSQHVNTSA-N 1 1 463.026 3.497 20 0 JGADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)Oc1ccc(F)cc1 ZINC001303704091 1068248672 /nfs/dbraw/zinc/24/86/72/1068248672.db2.gz FBFYJJMOHKTJLY-IBGZPJMESA-N 1 1 485.608 3.080 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCOCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305147116 1068248894 /nfs/dbraw/zinc/24/88/94/1068248894.db2.gz GASFTZCAJRATRK-APWZRJJASA-N 1 1 469.964 3.427 20 0 JGADMO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC001303706212 1068250618 /nfs/dbraw/zinc/25/06/18/1068250618.db2.gz VYYXJNWJNDSKTO-INIZCTEOSA-N 1 1 459.392 3.393 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC(C)(C)O1 ZINC001305148594 1068252183 /nfs/dbraw/zinc/25/21/83/1068252183.db2.gz ZDDZHQTUCDOZFY-HOTGVXAUSA-N 1 1 451.974 3.462 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC(C)(C)O1 ZINC001305148594 1068252191 /nfs/dbraw/zinc/25/21/91/1068252191.db2.gz ZDDZHQTUCDOZFY-HOTGVXAUSA-N 1 1 451.974 3.462 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303708922 1068254579 /nfs/dbraw/zinc/25/45/79/1068254579.db2.gz SEGRBVWJQIWHEG-MOPGFXCFSA-N 1 1 490.578 3.272 20 0 JGADMO C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCOC(C)(C)C)[N@@H+](C)C1CC1 ZINC001303709267 1068255068 /nfs/dbraw/zinc/25/50/68/1068255068.db2.gz SLMUBDANZDIABB-MRXNPFEDSA-N 1 1 453.591 3.328 20 0 JGADMO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303714009 1068259403 /nfs/dbraw/zinc/25/94/03/1068259403.db2.gz SNMOOCKFNGOJCV-IRLDBZIGSA-N 1 1 488.702 3.174 20 0 JGADMO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[N@@H+](C)C1CC1 ZINC001303715592 1068261870 /nfs/dbraw/zinc/26/18/70/1068261870.db2.gz AESSBNGAGAOCFD-MSOLQXFVSA-N 1 1 464.680 3.429 20 0 JGADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303715168 1068261937 /nfs/dbraw/zinc/26/19/37/1068261937.db2.gz AWBGHHAOTQYUMS-NFBKMPQASA-N 1 1 468.646 3.175 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001303715718 1068262613 /nfs/dbraw/zinc/26/26/13/1068262613.db2.gz DRJFZPAUJWKPRZ-ZGXWSNOMSA-N 1 1 478.037 3.448 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001303715718 1068262631 /nfs/dbraw/zinc/26/26/31/1068262631.db2.gz DRJFZPAUJWKPRZ-ZGXWSNOMSA-N 1 1 478.037 3.448 20 0 JGADMO C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC001305154287 1068263043 /nfs/dbraw/zinc/26/30/43/1068263043.db2.gz MNYKPYLXFQOYOW-KRWDZBQOSA-N 1 1 478.435 3.434 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)N(C)c1ccccc1 ZINC001303718091 1068266355 /nfs/dbraw/zinc/26/63/55/1068266355.db2.gz OKQFAYRWCQPTRO-GOTSBHOMSA-N 1 1 484.689 3.492 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001305169932 1068280610 /nfs/dbraw/zinc/28/06/10/1068280610.db2.gz INUCSRNGIOJMJV-IEBWSBKVSA-N 1 1 498.619 3.253 20 0 JGADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001303727500 1068281216 /nfs/dbraw/zinc/28/12/16/1068281216.db2.gz FOJOUSOQMMINGP-MOPGFXCFSA-N 1 1 469.634 3.192 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170904 1068282668 /nfs/dbraw/zinc/28/26/68/1068282668.db2.gz PMHDOXRUSPLQEH-LJQANCHMSA-N 1 1 475.682 3.017 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170904 1068282678 /nfs/dbraw/zinc/28/26/78/1068282678.db2.gz PMHDOXRUSPLQEH-LJQANCHMSA-N 1 1 475.682 3.017 20 0 JGADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170904 1068282682 /nfs/dbraw/zinc/28/26/82/1068282682.db2.gz PMHDOXRUSPLQEH-LJQANCHMSA-N 1 1 475.682 3.017 20 0 JGADMO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC001303728910 1068284050 /nfs/dbraw/zinc/28/40/50/1068284050.db2.gz WOYCOQLHPRTFGF-HNNXBMFYSA-N 1 1 455.500 3.384 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001303732755 1068289106 /nfs/dbraw/zinc/28/91/06/1068289106.db2.gz WWRHPSARNBZBJY-TZIWHRDSSA-N 1 1 469.634 3.194 20 0 JGADMO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(Br)C1)[N@@H+](C)C1CC1 ZINC001303738577 1068298108 /nfs/dbraw/zinc/29/81/08/1068298108.db2.gz YXSSOJHHEKHKQN-CQSZACIVSA-N 1 1 479.448 3.241 20 0 JGADMO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC001303738836 1068298699 /nfs/dbraw/zinc/29/86/99/1068298699.db2.gz VXSHQOFXJWMGSH-CVEARBPZSA-N 1 1 463.051 3.408 20 0 JGADMO C[C@H](Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001303739208 1068299393 /nfs/dbraw/zinc/29/93/93/1068299393.db2.gz PAXLIPXXRQXIBK-IFMALSPDSA-N 1 1 488.702 3.100 20 0 JGADMO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1)[N@@H+](C)C1CC1 ZINC001303739274 1068299403 /nfs/dbraw/zinc/29/94/03/1068299403.db2.gz YBBXCQPCUXPQDG-KRWDZBQOSA-N 1 1 461.582 3.314 20 0 JGADMO C[C@@H](Cn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739727 1068300138 /nfs/dbraw/zinc/30/01/38/1068300138.db2.gz VRELXYKLVODNBP-GHTZIAJQSA-N 1 1 456.610 3.261 20 0 JGADMO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001305185113 1068302953 /nfs/dbraw/zinc/30/29/53/1068302953.db2.gz YMGIEHQURKYHJE-RBUKOAKNSA-N 1 1 462.639 3.102 20 0 JGADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001305185674 1068303865 /nfs/dbraw/zinc/30/38/65/1068303865.db2.gz NQFLIGNZOXQXFZ-FGTMMUONSA-N 1 1 461.573 3.380 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305186491 1068305134 /nfs/dbraw/zinc/30/51/34/1068305134.db2.gz DXLWUPNCDLHIDC-OALUTQOASA-N 1 1 477.600 3.388 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305186492 1068305293 /nfs/dbraw/zinc/30/52/93/1068305293.db2.gz DXLWUPNCDLHIDC-RBUKOAKNSA-N 1 1 477.600 3.388 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC(C)(C)O1 ZINC001305187187 1068306141 /nfs/dbraw/zinc/30/61/41/1068306141.db2.gz ICXPJBJEHKRGHB-KRWDZBQOSA-N 1 1 463.573 3.262 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOCC2(C)C)CC(C)(C)O1 ZINC001305187187 1068306160 /nfs/dbraw/zinc/30/61/60/1068306160.db2.gz ICXPJBJEHKRGHB-KRWDZBQOSA-N 1 1 463.573 3.262 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001305188061 1068307487 /nfs/dbraw/zinc/30/74/87/1068307487.db2.gz MKMYJDFKUDLMMG-MHECFPHRSA-N 1 1 463.573 3.262 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001305190341 1068311782 /nfs/dbraw/zinc/31/17/82/1068311782.db2.gz RDLRDPAUJRWBKN-PXNSSMCTSA-N 1 1 459.038 3.310 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CC=CCC2)C[C@@H](C(F)(F)F)O1 ZINC001305191748 1068313794 /nfs/dbraw/zinc/31/37/94/1068313794.db2.gz MBVZFRRERAVVCW-APWZRJJASA-N 1 1 453.484 3.426 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccon2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303754573 1068317573 /nfs/dbraw/zinc/31/75/73/1068317573.db2.gz IZIVUARSVSTLTG-ZWKOTPCHSA-N 1 1 458.538 3.150 20 0 JGADMO CC(C)[C@@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303755531 1068319005 /nfs/dbraw/zinc/31/90/05/1068319005.db2.gz OLFIQKPABYHKFW-KNQAVFIVSA-N 1 1 489.064 3.455 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303756236 1068319571 /nfs/dbraw/zinc/31/95/71/1068319571.db2.gz RMWODUKNEWQGPB-IBGZPJMESA-N 1 1 467.618 3.076 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC001303758630 1068321770 /nfs/dbraw/zinc/32/17/70/1068321770.db2.gz DXPCVACFXFHYRL-MJGOQNOKSA-N 1 1 478.435 3.149 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CCN1CC(F)(F)F ZINC001305197742 1068322441 /nfs/dbraw/zinc/32/24/41/1068322441.db2.gz OMFWYINKYMYQDJ-IBGZPJMESA-N 1 1 479.595 3.459 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC001303759229 1068323636 /nfs/dbraw/zinc/32/36/36/1068323636.db2.gz PWMSBYBQDKSYSO-IAGOWNOFSA-N 1 1 454.040 3.492 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001303759372 1068324232 /nfs/dbraw/zinc/32/42/32/1068324232.db2.gz ANJODPFGSCVVJY-GOSISDBHSA-N 1 1 474.654 3.150 20 0 JGADMO C[C@H]1CN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)CCS1 ZINC001305203029 1068326908 /nfs/dbraw/zinc/32/69/08/1068326908.db2.gz DLAIAIPBOOXEPW-QFIPXVFZSA-N 1 1 485.746 3.172 20 0 JGADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303764217 1068333530 /nfs/dbraw/zinc/33/35/30/1068333530.db2.gz RQCJBHDJQLBIJR-DENIHFKCSA-N 1 1 475.609 3.216 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)O)C[C@H]1[NH+]1CCOCC1 ZINC001305207486 1068334982 /nfs/dbraw/zinc/33/49/82/1068334982.db2.gz VKVKVOHFTPOCBG-SIKLNZKXSA-N 1 1 471.646 3.082 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)O)C[C@@H]1[NH+]1CCOCC1 ZINC001305207484 1068335232 /nfs/dbraw/zinc/33/52/32/1068335232.db2.gz VKVKVOHFTPOCBG-KNQAVFIVSA-N 1 1 471.646 3.082 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001303765234 1068336465 /nfs/dbraw/zinc/33/64/65/1068336465.db2.gz XPQOFOMCFFHCHS-DFBJGRDBSA-N 1 1 493.599 3.202 20 0 JGADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCCO1 ZINC001305208657 1068337917 /nfs/dbraw/zinc/33/79/17/1068337917.db2.gz JNVGPOLIIVXYAA-PKOBYXMFSA-N 1 1 460.648 3.005 20 0 JGADMO CC(C)NC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305209481 1068338665 /nfs/dbraw/zinc/33/86/65/1068338665.db2.gz RBEZULZULAQCPQ-NRFANRHFSA-N 1 1 452.647 3.289 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCCO1 ZINC001305210599 1068340279 /nfs/dbraw/zinc/34/02/79/1068340279.db2.gz CWFUHNUWIBNUOM-CTNGQTDRSA-N 1 1 478.037 3.363 20 0 JGADMO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2cccnc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303769408 1068342448 /nfs/dbraw/zinc/34/24/48/1068342448.db2.gz QJDIQFDSBPVQCJ-SFHLNBCPSA-N 1 1 469.634 3.098 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001305213266 1068345340 /nfs/dbraw/zinc/34/53/40/1068345340.db2.gz NKQLCCHSEVXCHX-OFNKIYASSA-N 1 1 491.080 3.398 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[N@@H+](C)C1CCCCC1 ZINC001303771530 1068347539 /nfs/dbraw/zinc/34/75/39/1068347539.db2.gz MNVISIZQORBUOC-SFHVURJKSA-N 1 1 491.658 3.198 20 0 JGADMO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCSC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001305215130 1068349414 /nfs/dbraw/zinc/34/94/14/1068349414.db2.gz MBHYTVLFFRBHTB-YJBOKZPZSA-N 1 1 489.539 3.406 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303772080 1068349764 /nfs/dbraw/zinc/34/97/64/1068349764.db2.gz UNKCQBWQTYJMHJ-ZIAGYGMSSA-N 1 1 458.003 3.090 20 0 JGADMO COC[C@@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001303773405 1068352529 /nfs/dbraw/zinc/35/25/29/1068352529.db2.gz GAUABRMIESOIJR-TVZXLZGTSA-N 1 1 457.615 3.241 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001305218139 1068355153 /nfs/dbraw/zinc/35/51/53/1068355153.db2.gz XEZLLVXIFYIYSO-YJBOKZPZSA-N 1 1 459.488 3.492 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCOC2)CCCO1 ZINC001305219333 1068356521 /nfs/dbraw/zinc/35/65/21/1068356521.db2.gz AWIJEOARBGQMIY-PMACEKPBSA-N 1 1 478.037 3.484 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303779707 1068357288 /nfs/dbraw/zinc/35/72/88/1068357288.db2.gz UOOUEORNPVECQF-KNQAVFIVSA-N 1 1 459.660 3.470 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001303779707 1068357301 /nfs/dbraw/zinc/35/73/01/1068357301.db2.gz UOOUEORNPVECQF-KNQAVFIVSA-N 1 1 459.660 3.470 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(N(C)C[C@@H]3COc4ccccc4O3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305221281 1068359346 /nfs/dbraw/zinc/35/93/46/1068359346.db2.gz IQDXRAWBHCVXIV-HSALFYBXSA-N 1 1 457.619 3.351 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2c(F)cccc2F)n1CCCCCS(C)(=O)=O ZINC001305221602 1068360517 /nfs/dbraw/zinc/36/05/17/1068360517.db2.gz IEFGGWJWTOTEDC-ROUUACIJSA-N 1 1 481.613 3.035 20 0 JGADMO CC(C)c1ccnc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001305221627 1068360662 /nfs/dbraw/zinc/36/06/62/1068360662.db2.gz KVXRBPLXYVMMIJ-OYRHEFFESA-N 1 1 484.693 3.315 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CC2CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305221577 1068360748 /nfs/dbraw/zinc/36/07/48/1068360748.db2.gz IDKOYPPIMNFCNH-RDJZCZTQSA-N 1 1 454.566 3.064 20 0 JGADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305221776 1068361284 /nfs/dbraw/zinc/36/12/84/1068361284.db2.gz MBKGRUFWFMSWRV-VNTMZGSJSA-N 1 1 478.682 3.424 20 0 JGADMO CCOC(=O)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001305221874 1068361359 /nfs/dbraw/zinc/36/13/59/1068361359.db2.gz YIPJRRYIHITBPM-LJQANCHMSA-N 1 1 459.587 3.403 20 0 JGADMO C[C@H]1C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N(C)C[C@@H]2CCCOC2)CCCO1 ZINC001305221709 1068361596 /nfs/dbraw/zinc/36/15/96/1068361596.db2.gz LDTRNTRYULKFRH-UPVQGACJSA-N 1 1 455.647 3.427 20 0 JGADMO CCOC(=O)C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001305221873 1068361614 /nfs/dbraw/zinc/36/16/14/1068361614.db2.gz YIPJRRYIHITBPM-IBGZPJMESA-N 1 1 459.587 3.403 20 0 JGADMO C[C@@H]1C[NH+](CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@@H](C)O1 ZINC001305222616 1068362648 /nfs/dbraw/zinc/36/26/48/1068362648.db2.gz PNFHDQCLMVTPQH-QZTJIDSGSA-N 1 1 498.118 3.292 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001305222718 1068363444 /nfs/dbraw/zinc/36/34/44/1068363444.db2.gz QFIQVCWYJKUTIP-VNXMGFANSA-N 1 1 463.667 3.311 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305224154 1068366267 /nfs/dbraw/zinc/36/62/67/1068366267.db2.gz QORGDQWTJPTATF-FGTMMUONSA-N 1 1 484.592 3.005 20 0 JGADMO C[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305229233 1068373800 /nfs/dbraw/zinc/37/38/00/1068373800.db2.gz QNBXLXGHYSFQSP-MOPGFXCFSA-N 1 1 474.675 3.253 20 0 JGADMO C[C@H](N1CCN(c2nnc(CC3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792777 1068377278 /nfs/dbraw/zinc/37/72/78/1068377278.db2.gz LRLIWBUZCHJWON-IBGZPJMESA-N 1 1 485.643 3.110 20 0 JGADMO C[C@H](N1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792777 1068377285 /nfs/dbraw/zinc/37/72/85/1068377285.db2.gz LRLIWBUZCHJWON-IBGZPJMESA-N 1 1 485.643 3.110 20 0 JGADMO C[C@H](N1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792777 1068377300 /nfs/dbraw/zinc/37/73/00/1068377300.db2.gz LRLIWBUZCHJWON-IBGZPJMESA-N 1 1 485.643 3.110 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001305233139 1068379698 /nfs/dbraw/zinc/37/96/98/1068379698.db2.gz ACONOXRKZDCWMG-INIZCTEOSA-N 1 1 463.508 3.055 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001305233139 1068379710 /nfs/dbraw/zinc/37/97/10/1068379710.db2.gz ACONOXRKZDCWMG-INIZCTEOSA-N 1 1 463.508 3.055 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001303794457 1068379784 /nfs/dbraw/zinc/37/97/84/1068379784.db2.gz BPJJMMILPUPDKR-PCCBWWKXSA-N 1 1 474.650 3.174 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC[C@@H]2C)CC1)C(F)(F)F ZINC001305233445 1068380206 /nfs/dbraw/zinc/38/02/06/1068380206.db2.gz BQCRJTLMCATITJ-IRXDYDNUSA-N 1 1 486.970 3.392 20 0 JGADMO C[C@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC[C@@H]2C)CC1)C(F)(F)F ZINC001305233445 1068380223 /nfs/dbraw/zinc/38/02/23/1068380223.db2.gz BQCRJTLMCATITJ-IRXDYDNUSA-N 1 1 486.970 3.392 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC[C@@H]2C)CC1)C(F)(F)F ZINC001305233441 1068380258 /nfs/dbraw/zinc/38/02/58/1068380258.db2.gz BQCRJTLMCATITJ-DLBZAZTESA-N 1 1 486.970 3.392 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC[C@@H]2C)CC1)C(F)(F)F ZINC001305233441 1068380275 /nfs/dbraw/zinc/38/02/75/1068380275.db2.gz BQCRJTLMCATITJ-DLBZAZTESA-N 1 1 486.970 3.392 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001305234194 1068381859 /nfs/dbraw/zinc/38/18/59/1068381859.db2.gz LZYQUIIXCRVMHL-UGAOPGRHSA-N 1 1 489.045 3.088 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001305234194 1068381877 /nfs/dbraw/zinc/38/18/77/1068381877.db2.gz LZYQUIIXCRVMHL-UGAOPGRHSA-N 1 1 489.045 3.088 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001305234192 1068382172 /nfs/dbraw/zinc/38/21/72/1068382172.db2.gz LZYQUIIXCRVMHL-JSRFKQPZSA-N 1 1 489.045 3.088 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001305234192 1068382192 /nfs/dbraw/zinc/38/21/92/1068382192.db2.gz LZYQUIIXCRVMHL-JSRFKQPZSA-N 1 1 489.045 3.088 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001305234787 1068384364 /nfs/dbraw/zinc/38/43/64/1068384364.db2.gz XFSDBKGTERLCPL-GOSISDBHSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001305234787 1068384383 /nfs/dbraw/zinc/38/43/83/1068384383.db2.gz XFSDBKGTERLCPL-GOSISDBHSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303803765 1068403264 /nfs/dbraw/zinc/40/32/64/1068403264.db2.gz OXYXJPVUKZAGAE-ABSDTBQOSA-N 1 1 480.654 3.345 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CC[N@@H+](C)C1CCCCC1 ZINC001303805492 1068408865 /nfs/dbraw/zinc/40/88/65/1068408865.db2.gz DMPVGPKHPZYCQO-XMSQKQJNSA-N 1 1 474.675 3.277 20 0 JGADMO C[C@@H]1[C@H](C)SCCN1c1nnc([C@H]2CCCCO2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305250417 1068409183 /nfs/dbraw/zinc/40/91/83/1068409183.db2.gz AMKVERIYSQXEDK-SVFBPWRDSA-N 1 1 450.697 3.124 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccs2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001303815694 1068428352 /nfs/dbraw/zinc/42/83/52/1068428352.db2.gz QQDIPNNUSFUONK-IEBWSBKVSA-N 1 1 480.704 3.383 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001305264029 1068440415 /nfs/dbraw/zinc/44/04/15/1068440415.db2.gz HQOWYTMUJNLEKO-YPAWHYETSA-N 1 1 460.667 3.035 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC001305264391 1068441727 /nfs/dbraw/zinc/44/17/27/1068441727.db2.gz FPIOUIPRVWFUFS-TUACAJSNSA-N 1 1 482.673 3.292 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305265721 1068446724 /nfs/dbraw/zinc/44/67/24/1068446724.db2.gz MPCIHMHDOIVUBG-WOJBJXKFSA-N 1 1 484.645 3.189 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCn2cc[nH+]c2C)C1 ZINC001305266074 1068448098 /nfs/dbraw/zinc/44/80/98/1068448098.db2.gz JECSAPGKKMUDCU-OAQYLSRUSA-N 1 1 465.602 3.174 20 0 JGADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303829260 1068452186 /nfs/dbraw/zinc/45/21/86/1068452186.db2.gz RDSKSBHJEVIOLO-RTBURBONSA-N 1 1 462.664 3.035 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303829258 1068452216 /nfs/dbraw/zinc/45/22/16/1068452216.db2.gz RDSKSBHJEVIOLO-RBUKOAKNSA-N 1 1 462.664 3.035 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303830950 1068456060 /nfs/dbraw/zinc/45/60/60/1068456060.db2.gz MRXJGYQHEMUZGM-UYAOXDASSA-N 1 1 492.665 3.143 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CCC1CC1 ZINC001303835131 1068463987 /nfs/dbraw/zinc/46/39/87/1068463987.db2.gz WGILODNGJOHFOS-MOPGFXCFSA-N 1 1 466.696 3.169 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001305270070 1068464274 /nfs/dbraw/zinc/46/42/74/1068464274.db2.gz VWYMVNKMARTLTQ-OFNKIYASSA-N 1 1 461.614 3.356 20 0 JGADMO Nc1c(Br)cc(Br)cc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001303836731 1068466458 /nfs/dbraw/zinc/46/64/58/1068466458.db2.gz PGWLCUZZUWDHMD-UHFFFAOYSA-N 1 1 451.122 3.305 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc[nH+]c2C)C1 ZINC001305271056 1068467962 /nfs/dbraw/zinc/46/79/62/1068467962.db2.gz YHPHHQSJICKNQI-GOSISDBHSA-N 1 1 456.982 3.084 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 ZINC001303843722 1068474448 /nfs/dbraw/zinc/47/44/48/1068474448.db2.gz ZRYHGGWTPLENCU-QGZVFWFLSA-N 1 1 488.649 3.024 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001305273484 1068475318 /nfs/dbraw/zinc/47/53/18/1068475318.db2.gz YLJLEGAUOCEZLP-UYAOXDASSA-N 1 1 475.037 3.347 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001303847271 1068481693 /nfs/dbraw/zinc/48/16/93/1068481693.db2.gz VAOQKCVWFDMWKB-RTWAWAEBSA-N 1 1 486.686 3.447 20 0 JGADMO CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305279362 1068482236 /nfs/dbraw/zinc/48/22/36/1068482236.db2.gz NIAJYURSQYNERA-TZIWHRDSSA-N 1 1 476.691 3.425 20 0 JGADMO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001305284159 1068485391 /nfs/dbraw/zinc/48/53/91/1068485391.db2.gz BNSPGCPLQPHLNX-UXHICEINSA-N 1 1 457.619 3.459 20 0 JGADMO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001305285354 1068487102 /nfs/dbraw/zinc/48/71/02/1068487102.db2.gz MMLYODLJTGPDDD-UHFFFAOYSA-N 1 1 498.672 3.436 20 0 JGADMO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001305285354 1068487108 /nfs/dbraw/zinc/48/71/08/1068487108.db2.gz MMLYODLJTGPDDD-UHFFFAOYSA-N 1 1 498.672 3.436 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCCC3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303850958 1068487338 /nfs/dbraw/zinc/48/73/38/1068487338.db2.gz ACNDDIPUORGLPA-LJQANCHMSA-N 1 1 466.696 3.313 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccccc2)n1CC[N@@H+](C)C1CCCC1 ZINC001303853151 1068493100 /nfs/dbraw/zinc/49/31/00/1068493100.db2.gz NZSMRGWOAPUASD-RXVVDRJESA-N 1 1 460.648 3.104 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303856367 1068496393 /nfs/dbraw/zinc/49/63/93/1068496393.db2.gz VHLYDLRMMXCIBK-UHOSZYNNSA-N 1 1 480.704 3.412 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1cccc(Cl)c1 ZINC001303857739 1068498135 /nfs/dbraw/zinc/49/81/35/1068498135.db2.gz KELYNAUGVCIKQT-QGZVFWFLSA-N 1 1 481.066 3.045 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305294337 1068500263 /nfs/dbraw/zinc/50/02/63/1068500263.db2.gz NRJIFHMRIGQSCI-RHGYRFJNSA-N 1 1 477.053 3.480 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303874886 1068509189 /nfs/dbraw/zinc/50/91/89/1068509189.db2.gz FKUAMYNCTBFOER-RBUKOAKNSA-N 1 1 498.763 3.265 20 0 JGADMO C[C@](O)(C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CC1)C(F)(F)F ZINC001303876228 1068510730 /nfs/dbraw/zinc/51/07/30/1068510730.db2.gz DNFPHIWHSWNKTP-MBSDFSHPSA-N 1 1 499.553 3.461 20 0 JGADMO CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305301924 1068510941 /nfs/dbraw/zinc/51/09/41/1068510941.db2.gz VVYNOSSTVGRHRB-YASKCIBGSA-N 1 1 476.666 3.227 20 0 JGADMO CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001305306194 1068513759 /nfs/dbraw/zinc/51/37/59/1068513759.db2.gz HSBXBOOHVXOIFR-UUOWRZLLSA-N 1 1 462.038 3.373 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 ZINC001303895783 1068533820 /nfs/dbraw/zinc/53/38/20/1068533820.db2.gz RPJDNSBSSIQQNB-GOSISDBHSA-N 1 1 460.598 3.202 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCSCCCO ZINC001303895839 1068534354 /nfs/dbraw/zinc/53/43/54/1068534354.db2.gz SRJHGPHIWPUCEC-HBFSDRIKSA-N 1 1 463.623 3.346 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001305321497 1068539627 /nfs/dbraw/zinc/53/96/27/1068539627.db2.gz GOUYAFNNDUFAAM-DYLHXGEVSA-N 1 1 466.630 3.447 20 0 JGADMO CC(C)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001303900019 1068543295 /nfs/dbraw/zinc/54/32/95/1068543295.db2.gz XNSSTOASQAQVOI-SIKLNZKXSA-N 1 1 461.582 3.141 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001305325406 1068546626 /nfs/dbraw/zinc/54/66/26/1068546626.db2.gz FBGBXHYDTDOUSL-VRUMLPLGSA-N 1 1 471.646 3.170 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305328185 1068551205 /nfs/dbraw/zinc/55/12/05/1068551205.db2.gz QBAOZXOFBAFJMM-UQBPGWFLSA-N 1 1 459.635 3.298 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305328185 1068551217 /nfs/dbraw/zinc/55/12/17/1068551217.db2.gz QBAOZXOFBAFJMM-UQBPGWFLSA-N 1 1 459.635 3.298 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305328180 1068551381 /nfs/dbraw/zinc/55/13/81/1068551381.db2.gz QBAOZXOFBAFJMM-CLOONOSVSA-N 1 1 459.635 3.298 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305328180 1068551395 /nfs/dbraw/zinc/55/13/95/1068551395.db2.gz QBAOZXOFBAFJMM-CLOONOSVSA-N 1 1 459.635 3.298 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305328184 1068551445 /nfs/dbraw/zinc/55/14/45/1068551445.db2.gz QBAOZXOFBAFJMM-KBMIEXCESA-N 1 1 459.635 3.298 20 0 JGADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305328184 1068551459 /nfs/dbraw/zinc/55/14/59/1068551459.db2.gz QBAOZXOFBAFJMM-KBMIEXCESA-N 1 1 459.635 3.298 20 0 JGADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1COCCO1 ZINC001303906200 1068551850 /nfs/dbraw/zinc/55/18/50/1068551850.db2.gz DSCSUWQMXSADDO-MOXWOTFGSA-N 1 1 494.036 3.032 20 0 JGADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1COCCO1 ZINC001303906200 1068551859 /nfs/dbraw/zinc/55/18/59/1068551859.db2.gz DSCSUWQMXSADDO-MOXWOTFGSA-N 1 1 494.036 3.032 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303907170 1068553834 /nfs/dbraw/zinc/55/38/34/1068553834.db2.gz RJIZOYJFRPCCTJ-YZZKKUAISA-N 1 1 464.010 3.001 20 0 JGADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303907573 1068555001 /nfs/dbraw/zinc/55/50/01/1068555001.db2.gz WNENZOZECMZLIQ-QVKFZJNVSA-N 1 1 463.007 3.231 20 0 JGADMO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCS(C)(=O)=O)CC1 ZINC001303912563 1068561042 /nfs/dbraw/zinc/56/10/42/1068561042.db2.gz PLLNXJVJJRCLHB-SFHVURJKSA-N 1 1 484.066 3.427 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCS(C)(=O)=O)CC1 ZINC001303912563 1068561051 /nfs/dbraw/zinc/56/10/51/1068561051.db2.gz PLLNXJVJJRCLHB-SFHVURJKSA-N 1 1 484.066 3.427 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001305332560 1068561245 /nfs/dbraw/zinc/56/12/45/1068561245.db2.gz YZBOHICMPYNJNS-UNVFRBQDSA-N 1 1 468.646 3.391 20 0 JGADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001305333266 1068563137 /nfs/dbraw/zinc/56/31/37/1068563137.db2.gz DKPIFEJSRZRRPC-OWAUWMPXSA-N 1 1 459.610 3.106 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303914092 1068564069 /nfs/dbraw/zinc/56/40/69/1068564069.db2.gz FAPSEKPULYYDDW-REIDKSKDSA-N 1 1 478.037 3.389 20 0 JGADMO CC[C@@H](C)[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305335972 1068567109 /nfs/dbraw/zinc/56/71/09/1068567109.db2.gz LJKBPBAXFVKNBA-IBVKSMDESA-N 1 1 471.646 3.367 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303916189 1068567740 /nfs/dbraw/zinc/56/77/40/1068567740.db2.gz DJZOJOQSLSSWLF-AZUAARDMSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCO1 ZINC001303922145 1068573243 /nfs/dbraw/zinc/57/32/43/1068573243.db2.gz IJWZQHXVLDDHSA-RTBURBONSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCO1 ZINC001303922145 1068573256 /nfs/dbraw/zinc/57/32/56/1068573256.db2.gz IJWZQHXVLDDHSA-RTBURBONSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCO1 ZINC001303922144 1068573436 /nfs/dbraw/zinc/57/34/36/1068573436.db2.gz IJWZQHXVLDDHSA-RBUKOAKNSA-N 1 1 461.582 3.283 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCO1 ZINC001303922144 1068573442 /nfs/dbraw/zinc/57/34/42/1068573442.db2.gz IJWZQHXVLDDHSA-RBUKOAKNSA-N 1 1 461.582 3.283 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305339717 1068574665 /nfs/dbraw/zinc/57/46/65/1068574665.db2.gz KIDYYRQKILZOBZ-WSAILGMDSA-N 1 1 477.694 3.426 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001303922975 1068575519 /nfs/dbraw/zinc/57/55/19/1068575519.db2.gz BXOYYNKAEICJBB-LJQANCHMSA-N 1 1 487.624 3.282 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303923895 1068578123 /nfs/dbraw/zinc/57/81/23/1068578123.db2.gz RNEWDAACDXJOLM-ZWKOTPCHSA-N 1 1 490.605 3.202 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001303925112 1068580609 /nfs/dbraw/zinc/58/06/09/1068580609.db2.gz QAHSZBUSXRTLNW-LJQANCHMSA-N 1 1 470.593 3.301 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303925965 1068582402 /nfs/dbraw/zinc/58/24/02/1068582402.db2.gz GIVDCULALLFZBF-ZJOUEHCJSA-N 1 1 472.609 3.489 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001303925781 1068582805 /nfs/dbraw/zinc/58/28/05/1068582805.db2.gz FGWKXLYYVPTAJO-OALUTQOASA-N 1 1 493.649 3.303 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305345707 1068584305 /nfs/dbraw/zinc/58/43/05/1068584305.db2.gz DFCUOIRBCKKJGH-CDXJDZJCSA-N 1 1 464.010 3.189 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305345707 1068584319 /nfs/dbraw/zinc/58/43/19/1068584319.db2.gz DFCUOIRBCKKJGH-CDXJDZJCSA-N 1 1 464.010 3.189 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)OC ZINC001305345901 1068585255 /nfs/dbraw/zinc/58/52/55/1068585255.db2.gz ZPCQJMKIECLRKH-XUZZJYLKSA-N 1 1 498.672 3.214 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)OC ZINC001305345727 1068585284 /nfs/dbraw/zinc/58/52/84/1068585284.db2.gz DKGDEZRSSUXTCW-RUOSDFBUSA-N 1 1 475.659 3.083 20 0 JGADMO CC[C@@H](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305347700 1068588423 /nfs/dbraw/zinc/58/84/23/1068588423.db2.gz BJLTUJMDHZXCCU-JPYJTQIMSA-N 1 1 466.634 3.074 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303936866 1068595653 /nfs/dbraw/zinc/59/56/53/1068595653.db2.gz MWXJDYPCOPHORU-UXHICEINSA-N 1 1 493.649 3.447 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303936867 1068595736 /nfs/dbraw/zinc/59/57/36/1068595736.db2.gz MWXJDYPCOPHORU-VQTJNVASSA-N 1 1 493.649 3.447 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)OC ZINC001305358739 1068610161 /nfs/dbraw/zinc/61/01/61/1068610161.db2.gz HXYQSWQRCTZNET-DVKRWUGUSA-N 1 1 471.646 3.384 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303949556 1068610570 /nfs/dbraw/zinc/61/05/70/1068610570.db2.gz CWNPNJSWIVHZIL-FQEVSTJZSA-N 1 1 472.609 3.222 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303950486 1068611969 /nfs/dbraw/zinc/61/19/69/1068611969.db2.gz MNPCFNORDGBKDY-KRWDZBQOSA-N 1 1 460.026 3.219 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)OC ZINC001305362643 1068617345 /nfs/dbraw/zinc/61/73/45/1068617345.db2.gz VMHZAIDXPWJVGB-IPMKNSEASA-N 1 1 460.648 3.005 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC(=O)N1CCOCC1 ZINC001305371715 1068626361 /nfs/dbraw/zinc/62/63/61/1068626361.db2.gz SNLXBLKREOJILF-QZNHQXDQSA-N 1 1 468.646 3.140 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001305379160 1068631776 /nfs/dbraw/zinc/63/17/76/1068631776.db2.gz WKUUQQAHYMJMTO-LJQANCHMSA-N 1 1 451.619 3.350 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H](C)N1CCOCC1 ZINC001305391763 1068636844 /nfs/dbraw/zinc/63/68/44/1068636844.db2.gz FHVPBWWAAMSRRZ-WPFOTENUSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@@H](C)N1CCOCC1 ZINC001305391764 1068636938 /nfs/dbraw/zinc/63/69/38/1068636938.db2.gz FHVPBWWAAMSRRZ-ZDXQCDESSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305403586 1068644231 /nfs/dbraw/zinc/64/42/31/1068644231.db2.gz MCNUIXKEJCIHCW-VVSUKSJXSA-N 1 1 456.683 3.386 20 0 JGADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305403586 1068644235 /nfs/dbraw/zinc/64/42/35/1068644235.db2.gz MCNUIXKEJCIHCW-VVSUKSJXSA-N 1 1 456.683 3.386 20 0 JGADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1cc(C)nn1C ZINC001305406225 1068645750 /nfs/dbraw/zinc/64/57/50/1068645750.db2.gz VKEAURIDRNUPPC-ZWCUEREDSA-N 1 1 453.639 3.135 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001305407976 1068646970 /nfs/dbraw/zinc/64/69/70/1068646970.db2.gz BHSMOKQTRHSPKL-GPQLQYNLSA-N 1 1 460.667 3.176 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(C)(C)c1ccccn1 ZINC001305411190 1068650064 /nfs/dbraw/zinc/65/00/64/1068650064.db2.gz JECNDLGYRZKWIP-JAXLGGSGSA-N 1 1 467.662 3.153 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)cc1OC ZINC001305411769 1068650519 /nfs/dbraw/zinc/65/05/19/1068650519.db2.gz MBHGXRGCXZIZQR-ROKPMTFOSA-N 1 1 498.672 3.236 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC1(COC)CCC1 ZINC001305411344 1068650651 /nfs/dbraw/zinc/65/06/51/1068650651.db2.gz KESWARJQFGWCNV-QZNHQXDQSA-N 1 1 474.694 3.377 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1Cl ZINC001305412692 1068651346 /nfs/dbraw/zinc/65/13/46/1068651346.db2.gz QVHCLLWRZFEIIK-SVMVAKDDSA-N 1 1 459.038 3.482 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305413043 1068651893 /nfs/dbraw/zinc/65/18/93/1068651893.db2.gz JMJRGYJJOQNTMT-AWRGLXIESA-N 1 1 454.663 3.449 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001305413126 1068652039 /nfs/dbraw/zinc/65/20/39/1068652039.db2.gz SWZWJWHNKPDWBG-NGYIFUPDSA-N 1 1 482.673 3.476 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001305417296 1068654476 /nfs/dbraw/zinc/65/44/76/1068654476.db2.gz DCYZJVOLSBTQBN-ZCNNSNEGSA-N 1 1 485.620 3.170 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305423952 1068658838 /nfs/dbraw/zinc/65/88/38/1068658838.db2.gz BIYCJBPDZMBTQM-HZPDHXFCSA-N 1 1 467.540 3.146 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305426119 1068662860 /nfs/dbraw/zinc/66/28/60/1068662860.db2.gz NXJXWQKZRVDFHV-YADHBBJMSA-N 1 1 496.704 3.376 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305427264 1068665317 /nfs/dbraw/zinc/66/53/17/1068665317.db2.gz UHCSSXKNFZIULO-NHCUHLMSSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001305429431 1068667846 /nfs/dbraw/zinc/66/78/46/1068667846.db2.gz MGOCDSPFMXTZEX-NQIIRXRSSA-N 1 1 460.589 3.367 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001305430008 1068668514 /nfs/dbraw/zinc/66/85/14/1068668514.db2.gz ORSZYSGBXRMPLO-XLNZFTOWSA-N 1 1 464.655 3.348 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001305433092 1068669904 /nfs/dbraw/zinc/66/99/04/1068669904.db2.gz ZVBJFAMPSQTPPN-KKSFZXQISA-N 1 1 482.555 3.014 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305434289 1068671137 /nfs/dbraw/zinc/67/11/37/1068671137.db2.gz OLQKJTNIIONHNA-HXUWFJFHSA-N 1 1 456.683 3.418 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305434289 1068671146 /nfs/dbraw/zinc/67/11/46/1068671146.db2.gz OLQKJTNIIONHNA-HXUWFJFHSA-N 1 1 456.683 3.418 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305434289 1068671154 /nfs/dbraw/zinc/67/11/54/1068671154.db2.gz OLQKJTNIIONHNA-HXUWFJFHSA-N 1 1 456.683 3.418 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305434031 1068671308 /nfs/dbraw/zinc/67/13/08/1068671308.db2.gz GJHPVCAEUHWWFW-UPCLLVRISA-N 1 1 453.566 3.436 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001305435988 1068672003 /nfs/dbraw/zinc/67/20/03/1068672003.db2.gz RTJGFUMPIXZHDN-WOJBJXKFSA-N 1 1 464.618 3.046 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305442663 1068677695 /nfs/dbraw/zinc/67/76/95/1068677695.db2.gz GWFGCAUNPXGYFQ-OALUTQOASA-N 1 1 464.655 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001305453508 1068690777 /nfs/dbraw/zinc/69/07/77/1068690777.db2.gz BEZPPAIYVPRRFQ-MRXNPFEDSA-N 1 1 459.561 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001305454862 1068693289 /nfs/dbraw/zinc/69/32/89/1068693289.db2.gz AMSSLSYOGPOMMZ-SWHJIRTISA-N 1 1 458.626 3.055 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001305459952 1068702734 /nfs/dbraw/zinc/70/27/34/1068702734.db2.gz PGDJFECLLSUPEN-UWUFEASWSA-N 1 1 459.610 3.266 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001305460984 1068703824 /nfs/dbraw/zinc/70/38/24/1068703824.db2.gz YRJSOFBGJAFBBL-PTLVVNQVSA-N 1 1 494.606 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001305460852 1068703967 /nfs/dbraw/zinc/70/39/67/1068703967.db2.gz UAYOFFYWZZVUDP-HFZDXXHNSA-N 1 1 472.653 3.446 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCC[NH+]1CCOCC1 ZINC001305461666 1068704987 /nfs/dbraw/zinc/70/49/87/1068704987.db2.gz XWDBPLFKIFOFJY-SFHVURJKSA-N 1 1 463.573 3.280 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001305462617 1068705803 /nfs/dbraw/zinc/70/58/03/1068705803.db2.gz DTPVSLKCRCVFHC-NJNPRVFISA-N 1 1 474.675 3.407 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001305462620 1068705852 /nfs/dbraw/zinc/70/58/52/1068705852.db2.gz DTPVSLKCRCVFHC-SVMVAKDDSA-N 1 1 474.675 3.407 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001305464599 1068708266 /nfs/dbraw/zinc/70/82/66/1068708266.db2.gz CDEMGBUALMNRMQ-ZVDOUQERSA-N 1 1 475.659 3.261 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001305474962 1068715594 /nfs/dbraw/zinc/71/55/94/1068715594.db2.gz PDJTWFJDWMPORU-BJLQDIEVSA-N 1 1 451.681 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001305474963 1068715689 /nfs/dbraw/zinc/71/56/89/1068715689.db2.gz PDJTWFJDWMPORU-CMKODMSKSA-N 1 1 451.681 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001305474964 1068715782 /nfs/dbraw/zinc/71/57/82/1068715782.db2.gz PDJTWFJDWMPORU-NLWGTHIKSA-N 1 1 451.681 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305492780 1068730675 /nfs/dbraw/zinc/73/06/75/1068730675.db2.gz UUAIARNVSAVOSB-FDFHNCONSA-N 1 1 462.683 3.137 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[C@H](OCCOC)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001305493435 1068731817 /nfs/dbraw/zinc/73/18/17/1068731817.db2.gz ZSICUGBTLVTVFA-NQIIRXRSSA-N 1 1 453.591 3.361 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305504824 1068740324 /nfs/dbraw/zinc/74/03/24/1068740324.db2.gz LNEGOYADGDGAEQ-FQEVSTJZSA-N 1 1 497.644 3.153 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305504824 1068740326 /nfs/dbraw/zinc/74/03/26/1068740326.db2.gz LNEGOYADGDGAEQ-FQEVSTJZSA-N 1 1 497.644 3.153 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001305506239 1068742589 /nfs/dbraw/zinc/74/25/89/1068742589.db2.gz SCBBVMMABRUXSN-YUMYIRISSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001305506239 1068742595 /nfs/dbraw/zinc/74/25/95/1068742595.db2.gz SCBBVMMABRUXSN-YUMYIRISSA-N 1 1 460.667 3.130 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc2c1OCCCO2 ZINC001305507199 1068744076 /nfs/dbraw/zinc/74/40/76/1068744076.db2.gz YKBZSEFZCANUGV-OAQYLSRUSA-N 1 1 498.672 3.382 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc2c1OCCCO2 ZINC001305507199 1068744082 /nfs/dbraw/zinc/74/40/82/1068744082.db2.gz YKBZSEFZCANUGV-OAQYLSRUSA-N 1 1 498.672 3.382 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccccc1C ZINC001305508012 1068745336 /nfs/dbraw/zinc/74/53/36/1068745336.db2.gz CQQBWYHNDZBUOS-NRFANRHFSA-N 1 1 468.646 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccccc1C ZINC001305508012 1068745351 /nfs/dbraw/zinc/74/53/51/1068745351.db2.gz CQQBWYHNDZBUOS-NRFANRHFSA-N 1 1 468.646 3.314 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305508432 1068746420 /nfs/dbraw/zinc/74/64/20/1068746420.db2.gz DFNPFYSOSKXYTC-LADGPHEKSA-N 1 1 482.673 3.419 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305508625 1068747070 /nfs/dbraw/zinc/74/70/70/1068747070.db2.gz AOIPYHZAIXYYOA-OAQYLSRUSA-N 1 1 499.679 3.167 20 0 JGADMO CC[C@H](C)c1nnc(N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305510738 1068750879 /nfs/dbraw/zinc/75/08/79/1068750879.db2.gz QYGNOBVDPQZBLE-ZCNNSNEGSA-N 1 1 474.654 3.079 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1ccc(OC)cc1OC ZINC001305511798 1068753401 /nfs/dbraw/zinc/75/34/01/1068753401.db2.gz VIPKNWCPSHETPJ-OAQYLSRUSA-N 1 1 498.672 3.186 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1ccc(OC)cc1OC ZINC001305511798 1068753409 /nfs/dbraw/zinc/75/34/09/1068753409.db2.gz VIPKNWCPSHETPJ-OAQYLSRUSA-N 1 1 498.672 3.186 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)CSCc2ccccc2)CC1 ZINC001305518093 1068767187 /nfs/dbraw/zinc/76/71/87/1068767187.db2.gz XJCSAXREWDJTSV-QPPBQGQZSA-N 1 1 453.652 3.448 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305519692 1068770027 /nfs/dbraw/zinc/77/00/27/1068770027.db2.gz SCBYINWLDBNAQJ-VQTJNVASSA-N 1 1 477.698 3.263 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305519692 1068770038 /nfs/dbraw/zinc/77/00/38/1068770038.db2.gz SCBYINWLDBNAQJ-VQTJNVASSA-N 1 1 477.698 3.263 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305519692 1068770054 /nfs/dbraw/zinc/77/00/54/1068770054.db2.gz SCBYINWLDBNAQJ-VQTJNVASSA-N 1 1 477.698 3.263 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305523064 1068775522 /nfs/dbraw/zinc/77/55/22/1068775522.db2.gz LWXRGPNHFXSIHJ-NJYVYQBISA-N 1 1 497.688 3.105 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc3ccccc3cc2Cl)CC1 ZINC001305522921 1068775608 /nfs/dbraw/zinc/77/56/08/1068775608.db2.gz ASXSSTLMUDFXGI-QFIPXVFZSA-N 1 1 450.970 3.393 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305525762 1068779058 /nfs/dbraw/zinc/77/90/58/1068779058.db2.gz FUFHQGJLTZCKHA-OAQYLSRUSA-N 1 1 469.678 3.153 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305525762 1068779061 /nfs/dbraw/zinc/77/90/61/1068779061.db2.gz FUFHQGJLTZCKHA-OAQYLSRUSA-N 1 1 469.678 3.153 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305525762 1068779074 /nfs/dbraw/zinc/77/90/74/1068779074.db2.gz FUFHQGJLTZCKHA-OAQYLSRUSA-N 1 1 469.678 3.153 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2csc(C3CCCC3)n2)CC1 ZINC001305525790 1068779140 /nfs/dbraw/zinc/77/91/40/1068779140.db2.gz OLJLTHNUAOCOCR-QFIPXVFZSA-N 1 1 454.640 3.235 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2csc(C3CCCC3)n2)CC1 ZINC001305525787 1068779233 /nfs/dbraw/zinc/77/92/33/1068779233.db2.gz OLJLTHNUAOCOCR-JOCHJYFZSA-N 1 1 454.640 3.235 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305527765 1068781177 /nfs/dbraw/zinc/78/11/77/1068781177.db2.gz RRYKALZCMGTFGV-JOCHJYFZSA-N 1 1 453.679 3.454 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305528133 1068781865 /nfs/dbraw/zinc/78/18/65/1068781865.db2.gz JBFRGXRIHQLOBE-XLIONFOSSA-N 1 1 461.680 3.038 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305529016 1068783544 /nfs/dbraw/zinc/78/35/44/1068783544.db2.gz OMFYTHLADHPIQY-YUXAGFNASA-N 1 1 470.666 3.024 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001305531081 1068786879 /nfs/dbraw/zinc/78/68/79/1068786879.db2.gz RXTSLQJIJPVIPJ-WOJBJXKFSA-N 1 1 474.675 3.081 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001305531079 1068786999 /nfs/dbraw/zinc/78/69/99/1068786999.db2.gz RXTSLQJIJPVIPJ-VQTJNVASSA-N 1 1 474.675 3.081 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC1(OCCOC)CCOCC1 ZINC001305531317 1068787502 /nfs/dbraw/zinc/78/75/02/1068787502.db2.gz UDWLBAMWICZIOU-LEWJYISDSA-N 1 1 463.667 3.314 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001305532125 1068789013 /nfs/dbraw/zinc/78/90/13/1068789013.db2.gz ZERQYDHLBFNJCR-ILBGXUMGSA-N 1 1 489.753 3.143 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001305535610 1068796092 /nfs/dbraw/zinc/79/60/92/1068796092.db2.gz LUXPDTMCDAESLS-QFIPXVFZSA-N 1 1 487.737 3.485 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001305535831 1068796648 /nfs/dbraw/zinc/79/66/48/1068796648.db2.gz BQAHMGXHCAVASM-SFHVURJKSA-N 1 1 488.681 3.331 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cnc(C)s3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305538597 1068804461 /nfs/dbraw/zinc/80/44/61/1068804461.db2.gz AEXVVISTYLCMHQ-KNQAVFIVSA-N 1 1 475.707 3.236 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1cccn(CC)c1=O ZINC001305538661 1068804796 /nfs/dbraw/zinc/80/47/96/1068804796.db2.gz BLBASTBLDXAHOM-LJQANCHMSA-N 1 1 452.578 3.483 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001305539051 1068805966 /nfs/dbraw/zinc/80/59/66/1068805966.db2.gz OGVCWSRVZQYJDT-MLCQCVOFSA-N 1 1 471.646 3.026 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305539396 1068807787 /nfs/dbraw/zinc/80/77/87/1068807787.db2.gz RHSPEFYAPSLDAY-OTWHNJEPSA-N 1 1 460.589 3.221 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540040 1068808820 /nfs/dbraw/zinc/80/88/20/1068808820.db2.gz HXGMUNVBRPBAEJ-VDKIKQQVSA-N 1 1 495.716 3.445 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540040 1068808831 /nfs/dbraw/zinc/80/88/31/1068808831.db2.gz HXGMUNVBRPBAEJ-VDKIKQQVSA-N 1 1 495.716 3.445 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305540822 1068810031 /nfs/dbraw/zinc/81/00/31/1068810031.db2.gz FLQXMQPFSUNJHC-SLFFLAALSA-N 1 1 475.707 3.458 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001305540680 1068810292 /nfs/dbraw/zinc/81/02/92/1068810292.db2.gz DLOIDEDTYLVJGO-UFYCRDLUSA-N 1 1 464.655 3.348 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305540793 1068810638 /nfs/dbraw/zinc/81/06/38/1068810638.db2.gz LMXAPVCBSNWGLM-AKFKNWHVSA-N 1 1 454.663 3.349 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305540793 1068810648 /nfs/dbraw/zinc/81/06/48/1068810648.db2.gz LMXAPVCBSNWGLM-AKFKNWHVSA-N 1 1 454.663 3.349 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](OC)c1ccccc1 ZINC001305542535 1068815021 /nfs/dbraw/zinc/81/50/21/1068815021.db2.gz CZQWCFBQCAJDIB-CAOCKLPOSA-N 1 1 484.689 3.411 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1nccn1C(F)F ZINC001305542590 1068815471 /nfs/dbraw/zinc/81/54/71/1068815471.db2.gz DWZCBXWJIFUOHJ-QRVBRYPASA-N 1 1 464.609 3.426 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544260 1068820063 /nfs/dbraw/zinc/82/00/63/1068820063.db2.gz GMQUANTYWLMGES-YADHBBJMSA-N 1 1 476.710 3.372 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305546617 1068825759 /nfs/dbraw/zinc/82/57/59/1068825759.db2.gz LZNMGGWNWJTKNI-ACRUOGEOSA-N 1 1 459.683 3.494 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1cccc(C2OCCO2)c1 ZINC001305547026 1068826480 /nfs/dbraw/zinc/82/64/80/1068826480.db2.gz XIWHDOLHWRLFDG-UGKGYDQZSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001305549101 1068828564 /nfs/dbraw/zinc/82/85/64/1068828564.db2.gz WJGLYFQZLJOPPN-QKLQHJQFSA-N 1 1 460.026 3.304 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305551726 1068830093 /nfs/dbraw/zinc/83/00/93/1068830093.db2.gz ACKIYIDCCHPKKP-QPPBQGQZSA-N 1 1 470.662 3.406 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305554846 1068833050 /nfs/dbraw/zinc/83/30/50/1068833050.db2.gz MADKYWVKTQIFDZ-OFNKIYASSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305554846 1068833069 /nfs/dbraw/zinc/83/30/69/1068833069.db2.gz MADKYWVKTQIFDZ-OFNKIYASSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305554846 1068833083 /nfs/dbraw/zinc/83/30/83/1068833083.db2.gz MADKYWVKTQIFDZ-OFNKIYASSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305555293 1068833116 /nfs/dbraw/zinc/83/31/16/1068833116.db2.gz XWKDKYIHLCOBNV-SJORKVTESA-N 1 1 468.572 3.053 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001305580344 1068851948 /nfs/dbraw/zinc/85/19/48/1068851948.db2.gz JMPJUISFBIRYPR-UXHICEINSA-N 1 1 456.635 3.430 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305587645 1068857614 /nfs/dbraw/zinc/85/76/14/1068857614.db2.gz ULZOPWXQZFBGMG-NNWRFLSQSA-N 1 1 459.660 3.327 20 0 JGADMO CC[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305587645 1068857626 /nfs/dbraw/zinc/85/76/26/1068857626.db2.gz ULZOPWXQZFBGMG-NNWRFLSQSA-N 1 1 459.660 3.327 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC001305602101 1068865036 /nfs/dbraw/zinc/86/50/36/1068865036.db2.gz AARAOPOEHSXLTO-HXUWFJFHSA-N 1 1 492.628 3.407 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001305603032 1068866113 /nfs/dbraw/zinc/86/61/13/1068866113.db2.gz ICRWILNKWFZKRY-MSOLQXFVSA-N 1 1 460.627 3.037 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc2ccccc2s1 ZINC001305603013 1068866461 /nfs/dbraw/zinc/86/64/61/1068866461.db2.gz HUIRANCGVZXSFJ-QGZVFWFLSA-N 1 1 455.632 3.491 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001305603253 1068867017 /nfs/dbraw/zinc/86/70/17/1068867017.db2.gz AHAAPWBDVHOKFI-UYAOXDASSA-N 1 1 462.042 3.025 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001305603253 1068867022 /nfs/dbraw/zinc/86/70/22/1068867022.db2.gz AHAAPWBDVHOKFI-UYAOXDASSA-N 1 1 462.042 3.025 20 0 JGADMO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001305603250 1068867078 /nfs/dbraw/zinc/86/70/78/1068867078.db2.gz AHAAPWBDVHOKFI-AZUAARDMSA-N 1 1 462.042 3.025 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001305603250 1068867090 /nfs/dbraw/zinc/86/70/90/1068867090.db2.gz AHAAPWBDVHOKFI-AZUAARDMSA-N 1 1 462.042 3.025 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC001305603385 1068867799 /nfs/dbraw/zinc/86/77/99/1068867799.db2.gz KFLSMZBEJNAKTG-AZUAARDMSA-N 1 1 470.618 3.259 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001305603358 1068867812 /nfs/dbraw/zinc/86/78/12/1068867812.db2.gz BNVMGNSLVHDUTF-SFHVURJKSA-N 1 1 467.622 3.045 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 ZINC001305604628 1068870061 /nfs/dbraw/zinc/87/00/61/1068870061.db2.gz GJALWSMSYOZSOW-GOSISDBHSA-N 1 1 451.575 3.112 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 ZINC001305604633 1068870847 /nfs/dbraw/zinc/87/08/47/1068870847.db2.gz GJALWSMSYOZSOW-SFHVURJKSA-N 1 1 451.575 3.112 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001305605286 1068871304 /nfs/dbraw/zinc/87/13/04/1068871304.db2.gz DNPJWTQRISYSEE-TZIWHRDSSA-N 1 1 489.686 3.210 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001305605289 1068871478 /nfs/dbraw/zinc/87/14/78/1068871478.db2.gz HVVAWDNHVJTZLW-FQEVSTJZSA-N 1 1 453.635 3.368 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001305605494 1068872339 /nfs/dbraw/zinc/87/23/39/1068872339.db2.gz FJHCNHWHACLMOW-CEYNDMKZSA-N 1 1 473.618 3.077 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ncc(Cl)n1C ZINC001305605927 1068873185 /nfs/dbraw/zinc/87/31/85/1068873185.db2.gz KARSVXLJBVSIKN-MRXNPFEDSA-N 1 1 474.009 3.470 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001305606259 1068873585 /nfs/dbraw/zinc/87/35/85/1068873585.db2.gz SKXOXBGTWCUJAL-LJQANCHMSA-N 1 1 454.619 3.246 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCc2ccccc2)C1 ZINC001305606251 1068873786 /nfs/dbraw/zinc/87/37/86/1068873786.db2.gz SKGHQTXFQZDSJS-IRLDBZIGSA-N 1 1 454.619 3.040 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001305606819 1068874339 /nfs/dbraw/zinc/87/43/39/1068874339.db2.gz WCCKXTGWDNRPDC-RTBURBONSA-N 1 1 476.069 3.122 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001305606819 1068874348 /nfs/dbraw/zinc/87/43/48/1068874348.db2.gz WCCKXTGWDNRPDC-RTBURBONSA-N 1 1 476.069 3.122 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 ZINC001305606920 1068874702 /nfs/dbraw/zinc/87/47/02/1068874702.db2.gz JOBUDWBGJSMDDL-DZJNRPSUSA-N 1 1 465.440 3.485 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC=C(C)C1 ZINC001305607390 1068876048 /nfs/dbraw/zinc/87/60/48/1068876048.db2.gz LGSFXSHCRADGNC-IBGZPJMESA-N 1 1 460.648 3.082 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001305607579 1068876566 /nfs/dbraw/zinc/87/65/66/1068876566.db2.gz QPSGVJQMUVXSOJ-ZWKOTPCHSA-N 1 1 466.552 3.489 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001305607799 1068876678 /nfs/dbraw/zinc/87/66/78/1068876678.db2.gz ZGYCZJAKDJNLQL-CJFMBICVSA-N 1 1 454.619 3.494 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001305607635 1068876824 /nfs/dbraw/zinc/87/68/24/1068876824.db2.gz NAXIEVVRYCDJNS-OYHNWAKOSA-N 1 1 464.973 3.499 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001305607928 1068877510 /nfs/dbraw/zinc/87/75/10/1068877510.db2.gz NDMGUEKBMKOHFE-OKZBNKHCSA-N 1 1 463.026 3.469 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305608131 1068878165 /nfs/dbraw/zinc/87/81/65/1068878165.db2.gz ORNLJBJXQYRIJJ-ZIAGYGMSSA-N 1 1 469.453 3.214 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)C)CC1 ZINC001305608328 1068878628 /nfs/dbraw/zinc/87/86/28/1068878628.db2.gz OVPJYBGCHIRJGD-IBGZPJMESA-N 1 1 477.675 3.473 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001305608311 1068878705 /nfs/dbraw/zinc/87/87/05/1068878705.db2.gz OLNFQMKMZXQSKH-QZTJIDSGSA-N 1 1 463.026 3.470 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001305608304 1068879041 /nfs/dbraw/zinc/87/90/41/1068879041.db2.gz OHWICKLTCZZYGK-HRAATJIYSA-N 1 1 465.440 3.393 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001305608732 1068879305 /nfs/dbraw/zinc/87/93/05/1068879305.db2.gz ADXDSKJRQYVGBD-NQIIRXRSSA-N 1 1 453.639 3.139 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001305608750 1068879364 /nfs/dbraw/zinc/87/93/64/1068879364.db2.gz QOQRTCASSFKCGG-GCKMJXCFSA-N 1 1 481.439 3.150 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305608706 1068879386 /nfs/dbraw/zinc/87/93/86/1068879386.db2.gz QFCIMWKHGYVMEE-TYPHKJRUSA-N 1 1 456.635 3.480 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305608703 1068879729 /nfs/dbraw/zinc/87/97/29/1068879729.db2.gz QFCIMWKHGYVMEE-JBACZVJFSA-N 1 1 456.635 3.480 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305608945 1068880295 /nfs/dbraw/zinc/88/02/95/1068880295.db2.gz STWHXMUQARXVIX-CRAIPNDOSA-N 1 1 463.424 3.153 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305608947 1068880444 /nfs/dbraw/zinc/88/04/44/1068880444.db2.gz STWHXMUQARXVIX-QAPCUYQASA-N 1 1 463.424 3.153 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001305609582 1068880830 /nfs/dbraw/zinc/88/08/30/1068880830.db2.gz UHZPTLUXDPWHDP-INIZCTEOSA-N 1 1 494.065 3.102 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001305609585 1068880946 /nfs/dbraw/zinc/88/09/46/1068880946.db2.gz UHZPTLUXDPWHDP-MRXNPFEDSA-N 1 1 494.065 3.102 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)[C@H]1CC ZINC001305609624 1068882605 /nfs/dbraw/zinc/88/26/05/1068882605.db2.gz WQGQUQJUDKZGRI-CRAIPNDOSA-N 1 1 493.450 3.161 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCn2nc(C)nc2C1 ZINC001305609854 1068883255 /nfs/dbraw/zinc/88/32/55/1068883255.db2.gz XIZIWKIMRHPFME-GOSISDBHSA-N 1 1 482.633 3.391 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001305609826 1068883352 /nfs/dbraw/zinc/88/33/52/1068883352.db2.gz UZYNFZBBBIFVOL-CABCVRRESA-N 1 1 482.427 3.043 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001305610065 1068884073 /nfs/dbraw/zinc/88/40/73/1068884073.db2.gz YETMDXNMNZPKTO-UYAOXDASSA-N 1 1 459.591 3.034 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 ZINC001305610306 1068884185 /nfs/dbraw/zinc/88/41/85/1068884185.db2.gz YTIBZJUKESROAP-IBGZPJMESA-N 1 1 482.633 3.088 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001305610842 1068885587 /nfs/dbraw/zinc/88/55/87/1068885587.db2.gz IJSQFZCZTFXFAA-FQEVSTJZSA-N 1 1 459.639 3.319 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305611343 1068886202 /nfs/dbraw/zinc/88/62/02/1068886202.db2.gz ZHQBYQGUSVGWSV-GOSISDBHSA-N 1 1 463.648 3.088 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001305611375 1068886347 /nfs/dbraw/zinc/88/63/47/1068886347.db2.gz ZOLRSWSTSGQHLC-YLJYHZDGSA-N 1 1 497.669 3.059 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001305611949 1068887099 /nfs/dbraw/zinc/88/70/99/1068887099.db2.gz AOJSFDWXMOLURK-QGZVFWFLSA-N 1 1 473.572 3.175 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001305612397 1068887431 /nfs/dbraw/zinc/88/74/31/1068887431.db2.gz CYQDGDTZYXPUCP-FQEVSTJZSA-N 1 1 470.666 3.028 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001305613088 1068888311 /nfs/dbraw/zinc/88/83/11/1068888311.db2.gz DLLSXTALUFYGCM-DBVUQKKJSA-N 1 1 461.010 3.191 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC001305613838 1068889816 /nfs/dbraw/zinc/88/98/16/1068889816.db2.gz KKLXCNGZEKEPIC-TZIWHRDSSA-N 1 1 466.634 3.133 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001305614171 1068890751 /nfs/dbraw/zinc/89/07/51/1068890751.db2.gz ZWYIPKYYROEXKW-IBGZPJMESA-N 1 1 465.577 3.172 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001305614976 1068891985 /nfs/dbraw/zinc/89/19/85/1068891985.db2.gz NZHFFTGYOAFVLK-IRLDBZIGSA-N 1 1 468.646 3.301 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001305615706 1068893751 /nfs/dbraw/zinc/89/37/51/1068893751.db2.gz WYBYLRNRRDEQBP-MSOLQXFVSA-N 1 1 471.631 3.066 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001305616751 1068896864 /nfs/dbraw/zinc/89/68/64/1068896864.db2.gz DKFJFHIAXSPOAZ-NRFANRHFSA-N 1 1 465.621 3.456 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001305616913 1068897372 /nfs/dbraw/zinc/89/73/72/1068897372.db2.gz YDLHVTTZOOWDIR-NHCUHLMSSA-N 1 1 486.636 3.394 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001305617700 1068898689 /nfs/dbraw/zinc/89/86/89/1068898689.db2.gz CEGZRNZAXYOMKC-CTNGQTDRSA-N 1 1 484.624 3.452 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001305617643 1068898941 /nfs/dbraw/zinc/89/89/41/1068898941.db2.gz CBRKBOKDQXNASK-ACIOBRDBSA-N 1 1 452.647 3.241 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001305618092 1068900298 /nfs/dbraw/zinc/90/02/98/1068900298.db2.gz JRLMJBFBSYYWQA-KRWDZBQOSA-N 1 1 469.663 3.235 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001305617878 1068900314 /nfs/dbraw/zinc/90/03/14/1068900314.db2.gz AUXPBRNBUUHJJV-RTBURBONSA-N 1 1 455.582 3.454 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)c2ccccc2C1 ZINC001305619305 1068902700 /nfs/dbraw/zinc/90/27/00/1068902700.db2.gz IMKSDXDQUIYMAC-IBGZPJMESA-N 1 1 481.670 3.456 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC001305620006 1068904020 /nfs/dbraw/zinc/90/40/20/1068904020.db2.gz UUAQYBWCSDDJJT-PWRODBHTSA-N 1 1 494.681 3.180 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001305619979 1068904222 /nfs/dbraw/zinc/90/42/22/1068904222.db2.gz KIRQBBGBNCJZGC-SFTDATJTSA-N 1 1 454.619 3.015 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC001305620004 1068904282 /nfs/dbraw/zinc/90/42/82/1068904282.db2.gz UUAQYBWCSDDJJT-HBMCJLEFSA-N 1 1 494.681 3.180 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305620147 1068904790 /nfs/dbraw/zinc/90/47/90/1068904790.db2.gz QHUUZSDUUHKZJN-UXHICEINSA-N 1 1 496.660 3.350 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001305620495 1068904810 /nfs/dbraw/zinc/90/48/10/1068904810.db2.gz LKVHDWKIRWIQPE-WATLYSKOSA-N 1 1 457.619 3.280 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001305620902 1068906013 /nfs/dbraw/zinc/90/60/13/1068906013.db2.gz XQDNZADAKVJLRC-GOSISDBHSA-N 1 1 474.600 3.326 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001305620521 1068906351 /nfs/dbraw/zinc/90/63/51/1068906351.db2.gz LVRMXWSKBGARSW-NRFANRHFSA-N 1 1 456.635 3.200 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CC[C@](O)(c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305621046 1068906786 /nfs/dbraw/zinc/90/67/86/1068906786.db2.gz LLUGFFPLVBRUNN-GKBBYZSKSA-N 1 1 489.636 3.286 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CC[C@@](O)(c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305621058 1068907038 /nfs/dbraw/zinc/90/70/38/1068907038.db2.gz LLUGFFPLVBRUNN-XZZVZQAVSA-N 1 1 489.636 3.286 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(OC)cc2C1 ZINC001305621113 1068907653 /nfs/dbraw/zinc/90/76/53/1068907653.db2.gz AVZPWOWGXYWSCO-LEDOBFOHSA-N 1 1 457.619 3.304 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(OC)cc2C1 ZINC001305621120 1068907678 /nfs/dbraw/zinc/90/76/78/1068907678.db2.gz AVZPWOWGXYWSCO-RFWXGWTQSA-N 1 1 457.619 3.304 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305621690 1068908009 /nfs/dbraw/zinc/90/80/09/1068908009.db2.gz NHZLJWZEEDROQE-RLSLOFABSA-N 1 1 494.681 3.152 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001305621861 1068909176 /nfs/dbraw/zinc/90/91/76/1068909176.db2.gz XLSJMKSFCNJAHV-SFHVURJKSA-N 1 1 452.607 3.244 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001305622100 1068909488 /nfs/dbraw/zinc/90/94/88/1068909488.db2.gz OEJFDGYODJIOSD-SBUREZEXSA-N 1 1 463.026 3.203 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC001305622243 1068910356 /nfs/dbraw/zinc/91/03/56/1068910356.db2.gz ZBKMNMANPXFZGD-UWJYYQICSA-N 1 1 472.663 3.158 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001305622141 1068910499 /nfs/dbraw/zinc/91/04/99/1068910499.db2.gz YQIZAYQTYCZZJE-QUCCMNQESA-N 1 1 468.606 3.079 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001305622817 1068911766 /nfs/dbraw/zinc/91/17/66/1068911766.db2.gz UBBZPXNHJWXYLH-SJORKVTESA-N 1 1 494.434 3.349 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001305622818 1068911900 /nfs/dbraw/zinc/91/19/00/1068911900.db2.gz UBGWBRSXWYVUEV-NNMXDRDESA-N 1 1 472.609 3.236 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001305622813 1068911942 /nfs/dbraw/zinc/91/19/42/1068911942.db2.gz UBBZPXNHJWXYLH-DLBZAZTESA-N 1 1 494.434 3.349 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)NC)CC1 ZINC001305623435 1068914462 /nfs/dbraw/zinc/91/44/62/1068914462.db2.gz YCOKAKFYNLVRJP-NRFANRHFSA-N 1 1 485.677 3.481 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 ZINC001305624000 1068916306 /nfs/dbraw/zinc/91/63/06/1068916306.db2.gz YQWLXXAHYOZVGD-OALUTQOASA-N 1 1 499.651 3.468 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCC2)CC1 ZINC001305623910 1068916371 /nfs/dbraw/zinc/91/63/71/1068916371.db2.gz XCAMAJRPLUOOLI-NJYVYQBISA-N 1 1 489.709 3.454 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCC2)CC1 ZINC001305623910 1068916377 /nfs/dbraw/zinc/91/63/77/1068916377.db2.gz XCAMAJRPLUOOLI-NJYVYQBISA-N 1 1 489.709 3.454 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305627582 1068926807 /nfs/dbraw/zinc/92/68/07/1068926807.db2.gz IJDMCVVOWCGDGX-GOSISDBHSA-N 1 1 477.053 3.450 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305627582 1068926817 /nfs/dbraw/zinc/92/68/17/1068926817.db2.gz IJDMCVVOWCGDGX-GOSISDBHSA-N 1 1 477.053 3.450 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001305629256 1068931357 /nfs/dbraw/zinc/93/13/57/1068931357.db2.gz MOXKAMWHXFAOBV-FUHWJXTLSA-N 1 1 492.466 3.025 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001305635834 1068946277 /nfs/dbraw/zinc/94/62/77/1068946277.db2.gz TYQDGVSHCHYXOA-UNMCSNQZSA-N 1 1 476.629 3.141 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305641138 1068958601 /nfs/dbraw/zinc/95/86/01/1068958601.db2.gz RSQHWIKHVPSJDS-QFIPXVFZSA-N 1 1 475.641 3.281 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001305642177 1068962039 /nfs/dbraw/zinc/96/20/39/1068962039.db2.gz OXYAJFAJUCVIBF-AJTFRIOCSA-N 1 1 498.672 3.080 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305659493 1068999902 /nfs/dbraw/zinc/99/99/02/1068999902.db2.gz IXAGUCHFDHFGMF-JSRBNTPPSA-N 1 1 482.673 3.376 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305662263 1069002343 /nfs/dbraw/zinc/00/23/43/1069002343.db2.gz UAZYDOHRBHGLMS-JRFVFWCSSA-N 1 1 482.673 3.282 20 0 JGADMO CC[C@H](c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC001305662338 1069003027 /nfs/dbraw/zinc/00/30/27/1069003027.db2.gz HMWOGMSMRMZVFP-PKTZIBPZSA-N 1 1 488.702 3.070 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCOCC(F)F)c1ccccc1 ZINC001305667496 1069010766 /nfs/dbraw/zinc/01/07/66/1069010766.db2.gz YLHLMYTUHMLBFO-GBXCKJPGSA-N 1 1 463.573 3.403 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001305675681 1069028290 /nfs/dbraw/zinc/02/82/90/1069028290.db2.gz OEZADGAJNIZLEW-OFNKIYASSA-N 1 1 478.645 3.137 20 0 JGADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1cnn(C)c1C)c1ccccc1 ZINC001305675993 1069029507 /nfs/dbraw/zinc/02/95/07/1069029507.db2.gz FSBADMPTDKLCJG-XXBNENTESA-N 1 1 451.619 3.067 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC1(C(N)=O)CCCC1)c1ccccc1 ZINC001305679392 1069037636 /nfs/dbraw/zinc/03/76/36/1069037636.db2.gz YAJRAJARQANIIS-RBBKRZOGSA-N 1 1 468.646 3.023 20 0 JGADMO CC[C@@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001305682039 1069040649 /nfs/dbraw/zinc/04/06/49/1069040649.db2.gz MJKITBOZQXDARC-RBBKRZOGSA-N 1 1 459.660 3.319 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305686358 1069047749 /nfs/dbraw/zinc/04/77/49/1069047749.db2.gz FNIQLLFITRGHIJ-LJQANCHMSA-N 1 1 478.435 3.434 20 0 JGADMO CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305686358 1069047762 /nfs/dbraw/zinc/04/77/62/1069047762.db2.gz FNIQLLFITRGHIJ-LJQANCHMSA-N 1 1 478.435 3.434 20 0 JGADMO CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305688292 1069051124 /nfs/dbraw/zinc/05/11/24/1069051124.db2.gz SIIDTVLARBCDDV-HXUWFJFHSA-N 1 1 457.619 3.317 20 0 JGADMO CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001305701173 1069081331 /nfs/dbraw/zinc/08/13/31/1069081331.db2.gz YXFPOMMQICXNQO-OAQYLSRUSA-N 1 1 457.619 3.200 20 0 JGADMO CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001305701173 1069081336 /nfs/dbraw/zinc/08/13/36/1069081336.db2.gz YXFPOMMQICXNQO-OAQYLSRUSA-N 1 1 457.619 3.200 20 0 JGADMO CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001305701639 1069083320 /nfs/dbraw/zinc/08/33/20/1069083320.db2.gz HWFLRFXSLLPKTC-FGZHOGPDSA-N 1 1 460.667 3.130 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001305705881 1069094666 /nfs/dbraw/zinc/09/46/66/1069094666.db2.gz LQLLLVWNKUATNM-WOJBJXKFSA-N 1 1 487.674 3.004 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001305705880 1069094732 /nfs/dbraw/zinc/09/47/32/1069094732.db2.gz LQLLLVWNKUATNM-VQTJNVASSA-N 1 1 487.674 3.004 20 0 JGADMO CCC(CC)c1cc(Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001305715339 1069120232 /nfs/dbraw/zinc/12/02/32/1069120232.db2.gz JXEUPXJXQXJWGH-HDICACEKSA-N 1 1 470.622 3.164 20 0 JGADMO CCC(CC)c1cc(Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001305715339 1069120239 /nfs/dbraw/zinc/12/02/39/1069120239.db2.gz JXEUPXJXQXJWGH-HDICACEKSA-N 1 1 470.622 3.164 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCOC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001305720584 1069129017 /nfs/dbraw/zinc/12/90/17/1069129017.db2.gz BPQZNKYPOFCPFW-VQTJNVASSA-N 1 1 458.607 3.242 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305720778 1069129756 /nfs/dbraw/zinc/12/97/56/1069129756.db2.gz RWSYHCPEVOHQNZ-TZIWHRDSSA-N 1 1 461.699 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)cc2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001305724089 1069138103 /nfs/dbraw/zinc/13/81/03/1069138103.db2.gz QFEJYCMCPZMYLU-IBGZPJMESA-N 1 1 465.602 3.301 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001305725107 1069140522 /nfs/dbraw/zinc/14/05/22/1069140522.db2.gz VYJFUONHDMNIBV-DLBZAZTESA-N 1 1 470.647 3.352 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CC[N@H+]1CCC[C@H]1C ZINC001305726628 1069143871 /nfs/dbraw/zinc/14/38/71/1069143871.db2.gz QQYWRJRCGKIBSS-QGZVFWFLSA-N 1 1 456.591 3.046 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccco2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001305727078 1069145440 /nfs/dbraw/zinc/14/54/40/1069145440.db2.gz ZAOSDCZSZULPDF-UHFFFAOYSA-N 1 1 450.587 3.484 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)on2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305727652 1069146340 /nfs/dbraw/zinc/14/63/40/1069146340.db2.gz QODVSVNEOVITJB-HDICACEKSA-N 1 1 475.638 3.017 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)on2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305727652 1069146345 /nfs/dbraw/zinc/14/63/45/1069146345.db2.gz QODVSVNEOVITJB-HDICACEKSA-N 1 1 475.638 3.017 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305728217 1069147745 /nfs/dbraw/zinc/14/77/45/1069147745.db2.gz JDKSTGHEJOWJBY-PMACEKPBSA-N 1 1 468.646 3.116 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc2ncccc2c1 ZINC001305730161 1069150567 /nfs/dbraw/zinc/15/05/67/1069150567.db2.gz FFHOCKKGAMCYKB-BGYRXZFFSA-N 1 1 493.656 3.338 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc2ncccc2c1 ZINC001305730161 1069150572 /nfs/dbraw/zinc/15/05/72/1069150572.db2.gz FFHOCKKGAMCYKB-BGYRXZFFSA-N 1 1 493.656 3.338 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001305729690 1069150661 /nfs/dbraw/zinc/15/06/61/1069150661.db2.gz AMYBUJYJEYKPAB-KRWDZBQOSA-N 1 1 455.632 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1C[C@@H]1C ZINC001305730130 1069150669 /nfs/dbraw/zinc/15/06/69/1069150669.db2.gz DQVKUIUXJHIUQX-PSHVLCQKSA-N 1 1 470.666 3.105 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCc2ccccc21 ZINC001305731195 1069151080 /nfs/dbraw/zinc/15/10/80/1069151080.db2.gz NCCRRAVAQAXTIW-VWPQPMDRSA-N 1 1 482.673 3.472 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCc2ccccc21 ZINC001305731195 1069151087 /nfs/dbraw/zinc/15/10/87/1069151087.db2.gz NCCRRAVAQAXTIW-VWPQPMDRSA-N 1 1 482.673 3.472 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1csc(C)c1 ZINC001305731926 1069151893 /nfs/dbraw/zinc/15/18/93/1069151893.db2.gz RLUYMGFKRORVBJ-CALCHBBNSA-N 1 1 462.664 3.160 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1csc(C)c1 ZINC001305731926 1069151900 /nfs/dbraw/zinc/15/19/00/1069151900.db2.gz RLUYMGFKRORVBJ-CALCHBBNSA-N 1 1 462.664 3.160 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)C(F)(F)F ZINC001305733078 1069152484 /nfs/dbraw/zinc/15/24/84/1069152484.db2.gz XEALJWQRCMYKBZ-IYBDPMFKSA-N 1 1 476.588 3.330 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)C(F)(F)F ZINC001305733078 1069152492 /nfs/dbraw/zinc/15/24/92/1069152492.db2.gz XEALJWQRCMYKBZ-IYBDPMFKSA-N 1 1 476.588 3.330 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001305735164 1069155171 /nfs/dbraw/zinc/15/51/71/1069155171.db2.gz KUMPKTJJQZJMFW-NNWRFLSQSA-N 1 1 487.693 3.099 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCCc1ccccc1F ZINC001305735725 1069156506 /nfs/dbraw/zinc/15/65/06/1069156506.db2.gz KJZJZEZHXNNRJG-CVDCTZTESA-N 1 1 486.636 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737255 1069160347 /nfs/dbraw/zinc/16/03/47/1069160347.db2.gz GZWKUEAXVYDYPM-MOPGFXCFSA-N 1 1 467.662 3.438 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001305737720 1069161555 /nfs/dbraw/zinc/16/15/55/1069161555.db2.gz AIJQUZFZSRGKQK-XSWHYFMGSA-N 1 1 490.693 3.091 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738098 1069162872 /nfs/dbraw/zinc/16/28/72/1069162872.db2.gz LCUCGOKOTLYKNV-MSOLQXFVSA-N 1 1 466.634 3.234 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@](C)(O)C1CCCCC1 ZINC001305740640 1069171119 /nfs/dbraw/zinc/17/11/19/1069171119.db2.gz QKHIAMPWVGMJIP-MHPIHPPYSA-N 1 1 462.683 3.447 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@@](C)(O)C1CCCCC1 ZINC001305740646 1069171778 /nfs/dbraw/zinc/17/17/78/1069171778.db2.gz QKHIAMPWVGMJIP-XHNVNVPESA-N 1 1 462.683 3.447 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCc1sc(C)nc1C ZINC001305742585 1069177342 /nfs/dbraw/zinc/17/73/42/1069177342.db2.gz WABBHYSNYQQGMN-HZPDHXFCSA-N 1 1 461.680 3.431 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1Cc1ccc(F)cc1F ZINC001305744639 1069183240 /nfs/dbraw/zinc/18/32/40/1069183240.db2.gz XBYVEEBUQJAKFV-JTSKRJEESA-N 1 1 490.599 3.070 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@H]32)n1CCCC[NH+]1CCOCC1 ZINC001305746138 1069188086 /nfs/dbraw/zinc/18/80/86/1069188086.db2.gz ZCLTUJFCDDQYLW-IFMALSPDSA-N 1 1 460.667 3.468 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C[C@H]1CCCOC1 ZINC001305754978 1069206155 /nfs/dbraw/zinc/20/61/55/1069206155.db2.gz IMRQQKSXWONDBA-FYYLOGMGSA-N 1 1 468.646 3.334 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H]1CCC2(C1)OCCO2 ZINC001305755383 1069207546 /nfs/dbraw/zinc/20/75/46/1069207546.db2.gz ZSCLREHVWJSEBZ-NRFANRHFSA-N 1 1 490.693 3.296 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(F)(F)c1ccccc1 ZINC001305755653 1069208069 /nfs/dbraw/zinc/20/80/69/1069208069.db2.gz OGQLFTZRDOKSFR-IBGZPJMESA-N 1 1 490.599 3.147 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001305756837 1069211692 /nfs/dbraw/zinc/21/16/92/1069211692.db2.gz KJLTZSINIMHSOJ-UHFFFAOYSA-N 1 1 475.041 3.150 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305758983 1069219264 /nfs/dbraw/zinc/21/92/64/1069219264.db2.gz NHRVWRAFZUVZMW-SIBVEZHUSA-N 1 1 486.636 3.165 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001305760144 1069223464 /nfs/dbraw/zinc/22/34/64/1069223464.db2.gz UIFBTIVRIQEKBJ-FQEVSTJZSA-N 1 1 496.704 3.341 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CCC[NH+]1CCOCC1 ZINC001305760524 1069225222 /nfs/dbraw/zinc/22/52/22/1069225222.db2.gz AJEQKMKBNQIMAF-KRWDZBQOSA-N 1 1 490.599 3.321 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305760646 1069225598 /nfs/dbraw/zinc/22/55/98/1069225598.db2.gz CETAPIAVBHAEKA-GOSISDBHSA-N 1 1 454.619 3.197 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305761505 1069228209 /nfs/dbraw/zinc/22/82/09/1069228209.db2.gz KVSPIKCCOUPXSO-RBUKOAKNSA-N 1 1 486.636 3.428 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc32)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305765773 1069236812 /nfs/dbraw/zinc/23/68/12/1069236812.db2.gz YTHXXAMTZVXWMA-LJQANCHMSA-N 1 1 454.619 3.392 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001305772135 1069249969 /nfs/dbraw/zinc/24/99/69/1069249969.db2.gz OVMOEKPYAKITRC-GOTSBHOMSA-N 1 1 468.646 3.476 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001305773662 1069253197 /nfs/dbraw/zinc/25/31/97/1069253197.db2.gz PAHXALQNKLXTRY-RUZDIDTESA-N 1 1 462.683 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001305777412 1069263127 /nfs/dbraw/zinc/26/31/27/1069263127.db2.gz ZCEDMSAQCJTQKB-RUZDIDTESA-N 1 1 472.634 3.152 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001305777413 1069263161 /nfs/dbraw/zinc/26/31/61/1069263161.db2.gz ZCEDMSAQCJTQKB-VWLOTQADSA-N 1 1 472.634 3.152 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1c(C)coc1C ZINC001305779881 1069269460 /nfs/dbraw/zinc/26/94/60/1069269460.db2.gz HXBRJTYOZCLROV-HXUWFJFHSA-N 1 1 472.634 3.003 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001305780325 1069270480 /nfs/dbraw/zinc/27/04/80/1069270480.db2.gz BOQAGZFZNGETNP-OAQYLSRUSA-N 1 1 489.615 3.286 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305780361 1069270513 /nfs/dbraw/zinc/27/05/13/1069270513.db2.gz CHNNHKZQHPCVIW-FQEVSTJZSA-N 1 1 489.615 3.286 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305784520 1069280940 /nfs/dbraw/zinc/28/09/40/1069280940.db2.gz WITBABRUWSQRIF-QFIPXVFZSA-N 1 1 479.629 3.419 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccs3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305784708 1069281832 /nfs/dbraw/zinc/28/18/32/1069281832.db2.gz SOMWUVAUBRQMBR-KRWDZBQOSA-N 1 1 459.664 3.067 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305784701 1069282022 /nfs/dbraw/zinc/28/20/22/1069282022.db2.gz SGUXKCMUUZIARP-QFIPXVFZSA-N 1 1 482.677 3.183 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1cc(OC)nc2ccccc12 ZINC001305785522 1069286236 /nfs/dbraw/zinc/28/62/36/1069286236.db2.gz GTLYXSQKNFNWMM-GOSISDBHSA-N 1 1 479.629 3.332 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001305785745 1069287480 /nfs/dbraw/zinc/28/74/80/1069287480.db2.gz KJGKBHNVCVOBJY-SFHVURJKSA-N 1 1 496.635 3.408 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1cccc(Cn2ccnc2)c1 ZINC001305785880 1069288165 /nfs/dbraw/zinc/28/81/65/1069288165.db2.gz NUHLLDOUABCDDZ-HXUWFJFHSA-N 1 1 478.645 3.020 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1cccc(Cn2ccnc2)c1 ZINC001305785879 1069288229 /nfs/dbraw/zinc/28/82/29/1069288229.db2.gz NUHLLDOUABCDDZ-FQEVSTJZSA-N 1 1 478.645 3.020 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305785868 1069288446 /nfs/dbraw/zinc/28/84/46/1069288446.db2.gz QTXJPDMNBKBGDL-FQEVSTJZSA-N 1 1 473.710 3.382 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305785868 1069288455 /nfs/dbraw/zinc/28/84/55/1069288455.db2.gz QTXJPDMNBKBGDL-FQEVSTJZSA-N 1 1 473.710 3.382 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCc1ccc(-n2cccn2)cc1 ZINC001305785835 1069288471 /nfs/dbraw/zinc/28/84/71/1069288471.db2.gz MRRNJDNFQUIBLX-HXUWFJFHSA-N 1 1 478.645 3.155 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC)[C@@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305786932 1069292505 /nfs/dbraw/zinc/29/25/05/1069292505.db2.gz ZJSRTTPPIGYLMY-UGKGYDQZSA-N 1 1 461.699 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCOc1cccc(C)c1 ZINC001305788416 1069296932 /nfs/dbraw/zinc/29/69/32/1069296932.db2.gz LAFIYVAUJWKBOW-OAQYLSRUSA-N 1 1 454.619 3.258 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001305788598 1069297672 /nfs/dbraw/zinc/29/76/72/1069297672.db2.gz YGRVCZGPVXLQNV-IRLDBZIGSA-N 1 1 490.693 3.235 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001305791158 1069303420 /nfs/dbraw/zinc/30/34/20/1069303420.db2.gz LUJCZTVMYDTZFQ-MJGOQNOKSA-N 1 1 488.599 3.332 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001305792090 1069305230 /nfs/dbraw/zinc/30/52/30/1069305230.db2.gz QMKURJYPENQNNZ-FCHUYYIVSA-N 1 1 472.609 3.398 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305792173 1069305697 /nfs/dbraw/zinc/30/56/97/1069305697.db2.gz RUVPWLSVFNSWCP-FNZWTVRRSA-N 1 1 468.646 3.290 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(CC4)COCC(=O)N5)c23)C1 ZINC001164423031 718935620 /nfs/dbraw/zinc/93/56/20/718935620.db2.gz CQXNMUGIMSCJNE-QGZVFWFLSA-N 1 1 469.655 3.287 20 0 JGADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(CC4)COCC(=O)N5)c23)C1 ZINC001164423030 718935981 /nfs/dbraw/zinc/93/59/81/718935981.db2.gz CQXNMUGIMSCJNE-KRWDZBQOSA-N 1 1 469.655 3.287 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4scc(-c5ccc(C)cc5)c43)CC2)C1=O ZINC001164636776 719272126 /nfs/dbraw/zinc/27/21/26/719272126.db2.gz WTUKLGHKLLSFJZ-UHFFFAOYSA-N 1 1 465.623 3.426 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4scc(-c5ccc(C)cc5)c43)CC2)C1=O ZINC001164636776 719272131 /nfs/dbraw/zinc/27/21/31/719272131.db2.gz WTUKLGHKLLSFJZ-UHFFFAOYSA-N 1 1 465.623 3.426 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)CC2)C1=O ZINC001164644687 719280261 /nfs/dbraw/zinc/28/02/61/719280261.db2.gz QKZGLYQHEMODMC-UHFFFAOYSA-N 1 1 480.638 3.130 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)CC2)C1=O ZINC001164644687 719280266 /nfs/dbraw/zinc/28/02/66/719280266.db2.gz QKZGLYQHEMODMC-UHFFFAOYSA-N 1 1 480.638 3.130 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccsc4)nc4ccccc43)CC2)C1=O ZINC001164644314 719280407 /nfs/dbraw/zinc/28/04/07/719280407.db2.gz HZMPRVZQMRIUKO-UHFFFAOYSA-N 1 1 451.596 3.118 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccsc4)nc4ccccc43)CC2)C1=O ZINC001164644314 719280415 /nfs/dbraw/zinc/28/04/15/719280415.db2.gz HZMPRVZQMRIUKO-UHFFFAOYSA-N 1 1 451.596 3.118 20 0 JGADMO Cc1oncc1C(=O)N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@H]12 ZINC001164655847 719319742 /nfs/dbraw/zinc/31/97/42/719319742.db2.gz ZOKXXDAVWGEIKA-SCWSEQNSSA-N 1 1 459.978 3.041 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164665021 719356560 /nfs/dbraw/zinc/35/65/60/719356560.db2.gz UKPNXLVNHDGFTC-LJQANCHMSA-N 1 1 488.370 3.308 20 0 JGADMO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164678230 719554006 /nfs/dbraw/zinc/55/40/06/719554006.db2.gz WBYJREUHOUDMMF-SFHVURJKSA-N 1 1 499.681 3.056 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164681693 719663950 /nfs/dbraw/zinc/66/39/50/719663950.db2.gz PYPNVSIHVGRSDL-KRWDZBQOSA-N 1 1 482.032 3.408 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164689352 719739329 /nfs/dbraw/zinc/73/93/29/719739329.db2.gz CEQUGBYOYFNCDI-UHFFFAOYSA-N 1 1 456.660 3.085 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164689370 719743289 /nfs/dbraw/zinc/74/32/89/719743289.db2.gz DAHFXHRBRZAOGJ-UHFFFAOYSA-N 1 1 482.698 3.347 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)CC2 ZINC001164689825 719744918 /nfs/dbraw/zinc/74/49/18/719744918.db2.gz KPADNEGHCYUYLQ-UHFFFAOYSA-N 1 1 453.921 3.018 20 0 JGADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)CC2 ZINC001164690149 719754947 /nfs/dbraw/zinc/75/49/47/719754947.db2.gz UOGNGUWFDKIZFQ-UHFFFAOYSA-N 1 1 478.000 3.435 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@H]3C2)nc1 ZINC001164702587 719820134 /nfs/dbraw/zinc/82/01/34/719820134.db2.gz SDKKNEWXRMPVDK-HVHOJJEHSA-N 1 1 463.626 3.366 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CCC4(CCn5c(-c6ccc(C(N)=O)cc6)cnc54)CC3)c2)CC1 ZINC001164697573 719830487 /nfs/dbraw/zinc/83/04/87/719830487.db2.gz PAKCDDZZVFDOBY-UHFFFAOYSA-N 1 1 486.620 3.459 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@H]4C3)c2c1C ZINC001164704952 719884289 /nfs/dbraw/zinc/88/42/89/719884289.db2.gz XXIBRLMIDHDBDC-QYZOEREBSA-N 1 1 493.637 3.031 20 0 JGADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694683 719891094 /nfs/dbraw/zinc/89/10/94/719891094.db2.gz CDELBMQYAGHZQV-UHFFFAOYSA-N 1 1 450.992 3.169 20 0 JGADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164697737 719893377 /nfs/dbraw/zinc/89/33/77/719893377.db2.gz OWPBAUMMBLBRCW-UHFFFAOYSA-N 1 1 450.992 3.301 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696279 719896778 /nfs/dbraw/zinc/89/67/78/719896778.db2.gz FNFXJQAJMADXNB-UHFFFAOYSA-N 1 1 455.584 3.078 20 0 JGADMO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164707698 719898407 /nfs/dbraw/zinc/89/84/07/719898407.db2.gz VHPWKHQDBRZDCD-UHFFFAOYSA-N 1 1 478.684 3.339 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H]3CC(=O)N4c3cnn(C)c3)c2c1C ZINC001164709852 720074335 /nfs/dbraw/zinc/07/43/35/720074335.db2.gz GOSGTVJRCRKTBH-QZTJIDSGSA-N 1 1 451.600 3.022 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@@H]3CC(=O)N4c3cnn(C)c3)c2c1C ZINC001164710508 720074810 /nfs/dbraw/zinc/07/48/10/720074810.db2.gz IZJQNLXJMIRUJM-OALUTQOASA-N 1 1 465.627 3.412 20 0 JGADMO O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164709408 720081922 /nfs/dbraw/zinc/08/19/22/720081922.db2.gz DRQIUCYQPLCTOP-SKVJQKLOSA-N 1 1 476.621 3.015 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nc2N1C1CCCC1 ZINC001164815924 720115055 /nfs/dbraw/zinc/11/50/55/720115055.db2.gz XLUSKBQDMNHWOL-ZVUIFXONSA-N 1 1 482.673 3.165 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)CC2 ZINC001164714910 720120434 /nfs/dbraw/zinc/12/04/34/720120434.db2.gz FCQNLLJQLOMWFH-HXUWFJFHSA-N 1 1 474.005 3.271 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164716359 720126724 /nfs/dbraw/zinc/12/67/24/720126724.db2.gz KLRKDWWPZUHQQJ-KRWDZBQOSA-N 1 1 484.988 3.300 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1nc(C)n3C)CC2 ZINC001164714845 720139548 /nfs/dbraw/zinc/13/95/48/720139548.db2.gz ZVFRVHMYGMQMEQ-GOSISDBHSA-N 1 1 455.994 3.228 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CC2 ZINC001164712237 720140634 /nfs/dbraw/zinc/14/06/34/720140634.db2.gz LNJRZUNPBJTHIU-QHCPKHFHSA-N 1 1 499.681 3.159 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(C(=O)NCC(C)C)ccc31)C2 ZINC001164811080 720147488 /nfs/dbraw/zinc/14/74/88/720147488.db2.gz LFUWZKSVLUYJHS-RLWLMLJZSA-N 1 1 451.615 3.200 20 0 JGADMO CCOC(=O)c1cnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)cc1C(=O)OCC ZINC001164712971 720157780 /nfs/dbraw/zinc/15/77/80/720157780.db2.gz IVRXVFIPAIACFZ-OAQYLSRUSA-N 1 1 496.608 3.338 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001164817736 720188204 /nfs/dbraw/zinc/18/82/04/720188204.db2.gz QCQMEOOQVWJBQA-KCWPFWIISA-N 1 1 463.626 3.165 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CCC2 ZINC001164812966 720229570 /nfs/dbraw/zinc/22/95/70/720229570.db2.gz LETZGJMLKFEVOA-UHFFFAOYSA-N 1 1 473.940 3.264 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CCC2 ZINC001164813265 720238585 /nfs/dbraw/zinc/23/85/85/720238585.db2.gz MEXUOOZWRYBVAG-UHFFFAOYSA-N 1 1 473.021 3.168 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccc(C)cc5)c43)C2)C1 ZINC001164719001 720239379 /nfs/dbraw/zinc/23/93/79/720239379.db2.gz KAFJCXLZSWEQAN-VWLOTQADSA-N 1 1 465.623 3.332 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4scc(-c5ccc(C)cc5)c43)C2)C1 ZINC001164719001 720239385 /nfs/dbraw/zinc/23/93/85/720239385.db2.gz KAFJCXLZSWEQAN-VWLOTQADSA-N 1 1 465.623 3.332 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(COC)nc4scc(-c5ccccc5)c43)C2)C1 ZINC001164722737 720296702 /nfs/dbraw/zinc/29/67/02/720296702.db2.gz RBFSZYGTSGMERS-AREMUKBSSA-N 1 1 495.649 3.170 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(COC)nc4scc(-c5ccccc5)c43)C2)C1 ZINC001164722737 720296709 /nfs/dbraw/zinc/29/67/09/720296709.db2.gz RBFSZYGTSGMERS-AREMUKBSSA-N 1 1 495.649 3.170 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)C2)C1 ZINC001164723993 720299172 /nfs/dbraw/zinc/29/91/72/720299172.db2.gz ZBIKXRNIGGZICK-QHCPKHFHSA-N 1 1 476.046 3.012 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)C2)C1 ZINC001164723993 720299179 /nfs/dbraw/zinc/29/91/79/720299179.db2.gz ZBIKXRNIGGZICK-QHCPKHFHSA-N 1 1 476.046 3.012 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)C2)C1 ZINC001164724016 720302769 /nfs/dbraw/zinc/30/27/69/720302769.db2.gz PZFQHSMIKSEKOY-QFIPXVFZSA-N 1 1 482.387 3.254 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)C2)C1 ZINC001164724016 720302774 /nfs/dbraw/zinc/30/27/74/720302774.db2.gz PZFQHSMIKSEKOY-QFIPXVFZSA-N 1 1 482.387 3.254 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](COCC(=O)N(C)C)CC[C@H]32)n1 ZINC001164725565 720323043 /nfs/dbraw/zinc/32/30/43/720323043.db2.gz NRGOQNUZSGQJPP-ZCNNSNEGSA-N 1 1 489.686 3.381 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1CN1CC[C@H](CO)C1 ZINC001164729288 720415996 /nfs/dbraw/zinc/41/59/96/720415996.db2.gz GQPCXUIEVLGNNV-FTBPSBKWSA-N 1 1 492.668 3.129 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1CN1CC[C@H](CO)C1 ZINC001164729288 720416002 /nfs/dbraw/zinc/41/60/02/720416002.db2.gz GQPCXUIEVLGNNV-FTBPSBKWSA-N 1 1 492.668 3.129 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ccc-3c2=O)cc1 ZINC001164735338 720429902 /nfs/dbraw/zinc/42/99/02/720429902.db2.gz WHUSAKIUUWHECK-JWQCQUIFSA-N 1 1 455.562 3.494 20 0 JGADMO Fc1ccccc1N1CCN(c2cc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ncn2)CC1 ZINC001164732829 720449838 /nfs/dbraw/zinc/44/98/38/720449838.db2.gz OMCQHHCSCAPRSP-RPWUZVMVSA-N 1 1 459.573 3.191 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@H](O)[C@@H]2Cc2ccccc2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164835517 720490766 /nfs/dbraw/zinc/49/07/66/720490766.db2.gz YXXPHGWDCBQCQN-OYDLWJJNSA-N 1 1 466.626 3.063 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CCOC[C@@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)c2)CC1 ZINC001164724821 720496061 /nfs/dbraw/zinc/49/60/61/720496061.db2.gz IDHFPHOFROFFPH-RXFWQSSRSA-N 1 1 470.589 3.418 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164839387 720511456 /nfs/dbraw/zinc/51/14/56/720511456.db2.gz TVMQKIQRUDHAMF-LZLYRXPVSA-N 1 1 482.963 3.426 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)CC[C@@H]21 ZINC001164837137 720519502 /nfs/dbraw/zinc/51/95/02/720519502.db2.gz NVPNOIAREYEYIB-FHWLQOOXSA-N 1 1 496.006 3.086 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccccc4nc3N3CCOCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834223 720541080 /nfs/dbraw/zinc/54/10/80/720541080.db2.gz CVOGTLIXVXYUOX-ZFGGDYGUSA-N 1 1 461.614 3.041 20 0 JGADMO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC(C)=O ZINC001164835411 720575985 /nfs/dbraw/zinc/57/59/85/720575985.db2.gz HDFFAMBGFNMBQS-MIZPHKNDSA-N 1 1 492.580 3.055 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835249 720607692 /nfs/dbraw/zinc/60/76/92/720607692.db2.gz ATZXMTYFLSNHTA-DMTNHVFBSA-N 1 1 486.668 3.378 20 0 JGADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746249 720643900 /nfs/dbraw/zinc/64/39/00/720643900.db2.gz WJUNUQIXJQJCGM-SFTDATJTSA-N 1 1 484.560 3.349 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)nnc(Cl)c3N3CCOCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837077 720651257 /nfs/dbraw/zinc/65/12/57/720651257.db2.gz BGHNKZAVSLEZBC-FGTMMUONSA-N 1 1 480.444 3.194 20 0 JGADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839340 720706627 /nfs/dbraw/zinc/70/66/27/720706627.db2.gz LDLQJNSDQLTHQI-HXUWFJFHSA-N 1 1 463.582 3.405 20 0 JGADMO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ccc1S(C)(=O)=O)CC2 ZINC001164841756 720707950 /nfs/dbraw/zinc/70/79/50/720707950.db2.gz WPZIDEOOZVNGLI-GOSISDBHSA-N 1 1 450.004 3.398 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ccc1S(C)(=O)=O)CC2 ZINC001164841756 720707956 /nfs/dbraw/zinc/70/79/56/720707956.db2.gz WPZIDEOOZVNGLI-GOSISDBHSA-N 1 1 450.004 3.398 20 0 JGADMO CC(C)NS(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164836474 720711322 /nfs/dbraw/zinc/71/13/22/720711322.db2.gz BCYIVEOQQPWRNA-OAQYLSRUSA-N 1 1 458.628 3.028 20 0 JGADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164737859 720762541 /nfs/dbraw/zinc/76/25/41/720762541.db2.gz DCRYEZOVVLGDNB-RBUKOAKNSA-N 1 1 465.627 3.036 20 0 JGADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739894 720768673 /nfs/dbraw/zinc/76/86/73/720768673.db2.gz JLSOVBXTIFHRQC-MSOLQXFVSA-N 1 1 458.900 3.474 20 0 JGADMO COc1cccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164740455 720783013 /nfs/dbraw/zinc/78/30/13/720783013.db2.gz LFZPXYJUZHMDCD-CTNGQTDRSA-N 1 1 454.534 3.437 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745438 720790676 /nfs/dbraw/zinc/79/06/76/720790676.db2.gz KJVBXBFWEOXTCI-QZTJIDSGSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745438 720790692 /nfs/dbraw/zinc/79/06/92/720790692.db2.gz KJVBXBFWEOXTCI-QZTJIDSGSA-N 1 1 458.900 3.474 20 0 JGADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164751957 720801551 /nfs/dbraw/zinc/80/15/51/720801551.db2.gz YHUMNXWYHVSPEH-IRLDBZIGSA-N 1 1 454.534 3.341 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@@H]2COC[C@@H]12)C1CCC1 ZINC001164851827 720803304 /nfs/dbraw/zinc/80/33/04/720803304.db2.gz ZWNQNILIGCAEAA-XUVXKRRUSA-N 1 1 481.666 3.286 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@H]43)c2c1C ZINC001164846973 720803398 /nfs/dbraw/zinc/80/33/98/720803398.db2.gz LMFSIEKTZSRXGL-HSALFYBXSA-N 1 1 469.655 3.414 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@H]32)n1 ZINC001164844060 720803423 /nfs/dbraw/zinc/80/34/23/720803423.db2.gz ALHKIYUOBNYJHH-GBESFXJTSA-N 1 1 457.644 3.270 20 0 JGADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748696 720803817 /nfs/dbraw/zinc/80/38/17/720803817.db2.gz RATNGUCPXJFXFG-HOTGVXAUSA-N 1 1 454.918 3.063 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164746211 720819204 /nfs/dbraw/zinc/81/92/04/720819204.db2.gz YLQBSWRVPGHVSH-JFIYKMOQSA-N 1 1 480.947 3.037 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164738399 720822652 /nfs/dbraw/zinc/82/26/52/720822652.db2.gz FOBDFWRAALVMKE-FUHIMQAGSA-N 1 1 484.004 3.271 20 0 JGADMO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746145 720827812 /nfs/dbraw/zinc/82/78/12/720827812.db2.gz XZHKNXDBWOHIET-WTGUMLROSA-N 1 1 498.035 3.150 20 0 JGADMO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744097 720830216 /nfs/dbraw/zinc/83/02/16/720830216.db2.gz UEEQQRCKFDDTTB-XGHQBKJUSA-N 1 1 453.978 3.263 20 0 JGADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741944 720833277 /nfs/dbraw/zinc/83/32/77/720833277.db2.gz GDPILANXXMUWAU-QWFCFKBJSA-N 1 1 472.037 3.234 20 0 JGADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739984 720833312 /nfs/dbraw/zinc/83/33/12/720833312.db2.gz BHOPMMYODYDFCH-VAMGGRTRSA-N 1 1 472.037 3.234 20 0 JGADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164745175 720834055 /nfs/dbraw/zinc/83/40/55/720834055.db2.gz MHXHUQKXOUJFMS-GVDBMIGSSA-N 1 1 452.937 3.259 20 0 JGADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164744553 720837522 /nfs/dbraw/zinc/83/75/22/720837522.db2.gz KNZYVXYTJIPUJY-YVWKXTFCSA-N 1 1 484.967 3.427 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OCc5ccccc5)c(OC)cc43)CC[C@@H]2C1 ZINC001164857837 720840975 /nfs/dbraw/zinc/84/09/75/720840975.db2.gz YSMSZFOPHJYQCE-QFQXNSOFSA-N 1 1 478.593 3.391 20 0 JGADMO CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164746683 720841970 /nfs/dbraw/zinc/84/19/70/720841970.db2.gz PXXZJIFWSNOGCT-UMXIMWEHSA-N 1 1 458.614 3.181 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164750315 720843249 /nfs/dbraw/zinc/84/32/49/720843249.db2.gz XGBAIBQGMSEMMC-JENIJYKNSA-N 1 1 480.947 3.037 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164741750 720843783 /nfs/dbraw/zinc/84/37/83/720843783.db2.gz FOMNOWIHZMUCOZ-FUHIMQAGSA-N 1 1 494.974 3.428 20 0 JGADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164741329 720844375 /nfs/dbraw/zinc/84/43/75/720844375.db2.gz FAUSPHZIMXHICC-SESVDKBCSA-N 1 1 453.591 3.400 20 0 JGADMO c1ncn(C[C@H]2C[C@@H]3CN(c4nc5ccccc5nc4N4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741335 720845300 /nfs/dbraw/zinc/84/53/00/720845300.db2.gz FEBDJIFOFDYZHO-PQNGQFLHSA-N 1 1 458.614 3.201 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164742491 720846558 /nfs/dbraw/zinc/84/65/58/720846558.db2.gz HAFMPPVHGYYMGE-SLFFLAALSA-N 1 1 495.653 3.456 20 0 JGADMO O=C(c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1)N1CCCCC1 ZINC001164751830 720849236 /nfs/dbraw/zinc/84/92/36/720849236.db2.gz ZAWXDSKORXFZIR-FUPPJEDESA-N 1 1 484.048 3.332 20 0 JGADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748677 720851355 /nfs/dbraw/zinc/85/13/55/720851355.db2.gz LPPOSNLJHQSHIA-AOHZBQACSA-N 1 1 487.608 3.276 20 0 JGADMO Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164747605 720852441 /nfs/dbraw/zinc/85/24/41/720852441.db2.gz IFGIFCUDSBJUQB-NPPFBWRTSA-N 1 1 451.525 3.393 20 0 JGADMO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)s1 ZINC001164748112 720854526 /nfs/dbraw/zinc/85/45/26/720854526.db2.gz KCZAAENVNWLTMW-IRFCIJBXSA-N 1 1 450.616 3.188 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)CC[C@@H]2C1 ZINC001164858232 720855123 /nfs/dbraw/zinc/85/51/23/720855123.db2.gz RSARXYNGWHRZEY-DYESRHJHSA-N 1 1 462.953 3.300 20 0 JGADMO Clc1nc2nc[nH]c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753959 720870154 /nfs/dbraw/zinc/87/01/54/720870154.db2.gz QOETXMIRSWBRBC-JPYJTQIMSA-N 1 1 453.978 3.156 20 0 JGADMO COC(=O)c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750109 720871933 /nfs/dbraw/zinc/87/19/33/720871933.db2.gz ITQUIVLQGIIJPI-CYFREDJKSA-N 1 1 471.989 3.067 20 0 JGADMO COC(=O)c1cc(F)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751562 720872531 /nfs/dbraw/zinc/87/25/31/720872531.db2.gz LAIHRIYNWWJCIF-NLFFAJNJSA-N 1 1 454.546 3.157 20 0 JGADMO CCOC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752350 720872922 /nfs/dbraw/zinc/87/29/22/720872922.db2.gz MNEKHGFUHODJSO-NVQXNPDNSA-N 1 1 450.583 3.408 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(OC)ccc4n3)CC[C@@H]2C1 ZINC001164861176 720878989 /nfs/dbraw/zinc/87/89/89/720878989.db2.gz PFZDFOJTHBSMKN-KDOFPFPSSA-N 1 1 456.921 3.010 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752923 720880066 /nfs/dbraw/zinc/88/00/66/720880066.db2.gz NMBIQPQYXCWRSR-NBGIEHNGSA-N 1 1 486.016 3.457 20 0 JGADMO CCOC(=O)c1cnc(C)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748502 720882030 /nfs/dbraw/zinc/88/20/30/720882030.db2.gz FPHBCAXHYUQIAV-GJZUVCINSA-N 1 1 465.598 3.112 20 0 JGADMO CCOC(=O)c1cnc(C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748498 720882048 /nfs/dbraw/zinc/88/20/48/720882048.db2.gz FPHBCAXHYUQIAV-ATIYNZHBSA-N 1 1 465.598 3.112 20 0 JGADMO COC(=O)c1cc(OC)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753943 720882072 /nfs/dbraw/zinc/88/20/72/720882072.db2.gz HVWMXOGLBYBMOH-HFZDXXHNSA-N 1 1 466.582 3.027 20 0 JGADMO COC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1F ZINC001164758846 720882154 /nfs/dbraw/zinc/88/21/54/720882154.db2.gz ZVWUKAJNBCQTDD-CPJSRVTESA-N 1 1 454.546 3.157 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]2C1 ZINC001164857515 720882151 /nfs/dbraw/zinc/88/21/51/720882151.db2.gz JUKRFQMDVSXTCS-WEYGHZABSA-N 1 1 450.942 3.098 20 0 JGADMO Cc1nc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2[nH]1 ZINC001164753836 720882198 /nfs/dbraw/zinc/88/21/98/720882198.db2.gz HHTNKUNAHXESSX-DVECYGJZSA-N 1 1 468.005 3.465 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164753836 720882203 /nfs/dbraw/zinc/88/22/03/720882203.db2.gz HHTNKUNAHXESSX-DVECYGJZSA-N 1 1 468.005 3.465 20 0 JGADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164753836 720882206 /nfs/dbraw/zinc/88/22/06/720882206.db2.gz HHTNKUNAHXESSX-DVECYGJZSA-N 1 1 468.005 3.465 20 0 JGADMO COC(=O)c1cc(OC)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753948 720882348 /nfs/dbraw/zinc/88/23/48/720882348.db2.gz HVWMXOGLBYBMOH-RLWLMLJZSA-N 1 1 466.582 3.027 20 0 JGADMO Cn1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757890 720883925 /nfs/dbraw/zinc/88/39/25/720883925.db2.gz WCFRNKRUKLFJNL-YADARESESA-N 1 1 468.005 3.167 20 0 JGADMO CCOC(=O)c1nnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756914 720886468 /nfs/dbraw/zinc/88/64/68/720886468.db2.gz SCYSHRLDUHZLKB-CJFMBICVSA-N 1 1 486.016 3.457 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164758513 720886955 /nfs/dbraw/zinc/88/69/55/720886955.db2.gz ZACDYUJIXVLETD-GJZUVCINSA-N 1 1 465.598 3.112 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)CC[C@@H]2C1 ZINC001164852868 720890130 /nfs/dbraw/zinc/89/01/30/720890130.db2.gz ADFOWAYWMUNCHL-WIYYLYMNSA-N 1 1 481.000 3.428 20 0 JGADMO CCOC(=O)c1c(C)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755375 720891771 /nfs/dbraw/zinc/89/17/71/720891771.db2.gz LNQLUORYKYCMKL-ATIYNZHBSA-N 1 1 465.598 3.112 20 0 JGADMO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164758423 720891823 /nfs/dbraw/zinc/89/18/23/720891823.db2.gz XYDFSSHFGYEPNP-JDITYXQVSA-N 1 1 462.598 3.072 20 0 JGADMO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164758426 720891967 /nfs/dbraw/zinc/89/19/67/720891967.db2.gz XYDFSSHFGYEPNP-OFUUFJSKSA-N 1 1 462.598 3.072 20 0 JGADMO O=c1cc2[nH]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)cc-2[nH]1 ZINC001164756556 720892405 /nfs/dbraw/zinc/89/24/05/720892405.db2.gz QGTSVSBWKOLIPG-DFBJGRDBSA-N 1 1 468.001 3.380 20 0 JGADMO CCOc1ccc(C(=O)OC)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757170 720894437 /nfs/dbraw/zinc/89/44/37/720894437.db2.gz UBFUYYIXVRAIAB-WXVAWEFUSA-N 1 1 480.609 3.417 20 0 JGADMO CNC(=O)c1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164756222 720895747 /nfs/dbraw/zinc/89/57/47/720895747.db2.gz OKFWAOVSQWVCBU-NLFFAJNJSA-N 1 1 470.017 3.245 20 0 JGADMO CC(C)c1nc(N(C)C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755038 720895754 /nfs/dbraw/zinc/89/57/54/720895754.db2.gz KJZVQVCQVGJKHZ-NVQXNPDNSA-N 1 1 465.646 3.211 20 0 JGADMO O=C1NCc2c1cc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758505 720896819 /nfs/dbraw/zinc/89/68/19/720896819.db2.gz YTALFHNOYVJVRD-KBMIEXCESA-N 1 1 468.001 3.129 20 0 JGADMO Cc1cn(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cn1 ZINC001164752712 720898498 /nfs/dbraw/zinc/89/84/98/720898498.db2.gz FUILBKFZWBNKOS-JYFHCDHNSA-N 1 1 459.598 3.121 20 0 JGADMO CCN(CC)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753929 720898779 /nfs/dbraw/zinc/89/87/79/720898779.db2.gz HVMLNEQLQVPYJL-OZXSUGGESA-N 1 1 450.631 3.473 20 0 JGADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757798 720899788 /nfs/dbraw/zinc/89/97/88/720899788.db2.gz VPVAJQKPCQWYMA-WNCULLNHSA-N 1 1 479.625 3.174 20 0 JGADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C3)C[C@@H](NC(=O)c3ccccc3)CCO4)c2)CC1 ZINC001164863691 720901783 /nfs/dbraw/zinc/90/17/83/720901783.db2.gz YRVJCAGULGTQIX-LVXARBLLSA-N 1 1 450.583 3.113 20 0 JGADMO COC(=O)c1cc2c[nH]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc-2n1 ZINC001164754555 720902258 /nfs/dbraw/zinc/90/22/58/720902258.db2.gz JIWOFJBJFCWZMA-WXVAWEFUSA-N 1 1 475.593 3.500 20 0 JGADMO CCCNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750822 720910937 /nfs/dbraw/zinc/91/09/37/720910937.db2.gz KNFYURGPIJHOBJ-WNCULLNHSA-N 1 1 463.626 3.372 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4CO[C@@H](CNC(=O)c5ccno5)[C@@H]4C3)c2c1C ZINC001164855031 720911438 /nfs/dbraw/zinc/91/14/38/720911438.db2.gz HJXKQXZCAABQMI-GGPKGHCWSA-N 1 1 496.637 3.163 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856615 720924935 /nfs/dbraw/zinc/92/49/35/720924935.db2.gz KMAXTYNFSOZRBT-CYBMUJFWSA-N 1 1 456.925 3.470 20 0 JGADMO F[C@H](Oc1cncc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750748 720930987 /nfs/dbraw/zinc/93/09/87/720930987.db2.gz KEOHKEYMZIFNBU-AJSBUHFISA-N 1 1 461.969 3.408 20 0 JGADMO COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2c1ccn2C ZINC001164746554 720935147 /nfs/dbraw/zinc/93/51/47/720935147.db2.gz BRUMGIHZYMGLBN-HFZDXXHNSA-N 1 1 462.598 3.127 20 0 JGADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)[C@@H]2C ZINC001164864137 720996885 /nfs/dbraw/zinc/99/68/85/720996885.db2.gz XSVWCHSBOQFCIO-GOSISDBHSA-N 1 1 479.610 3.286 20 0 JGADMO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164756382 720997250 /nfs/dbraw/zinc/99/72/50/720997250.db2.gz HOCZZDKSJXOQKK-IHPCNDPISA-N 1 1 498.697 3.278 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3CO[C@H](CNC(=O)N(C)C)[C@@H]3C2)n1 ZINC001164756094 720997840 /nfs/dbraw/zinc/99/78/40/720997840.db2.gz DYMRPNGHXTUJQU-GUDVDZBRSA-N 1 1 474.675 3.262 20 0 JGADMO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861322 721033748 /nfs/dbraw/zinc/03/37/48/721033748.db2.gz GKUZCIXTFLQAKY-JOCHJYFZSA-N 1 1 453.909 3.429 20 0 JGADMO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164774613 721052106 /nfs/dbraw/zinc/05/21/06/721052106.db2.gz XHHUQBJAWDHBJD-RPBOFIJWSA-N 1 1 454.578 3.118 20 0 JGADMO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC001164774613 721052111 /nfs/dbraw/zinc/05/21/11/721052111.db2.gz XHHUQBJAWDHBJD-RPBOFIJWSA-N 1 1 454.578 3.118 20 0 JGADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866532 721068971 /nfs/dbraw/zinc/06/89/71/721068971.db2.gz FCMLZWKKADJRIH-RTWAWAEBSA-N 1 1 475.984 3.403 20 0 JGADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164864915 721099703 /nfs/dbraw/zinc/09/97/03/721099703.db2.gz HJDKBMLFWOQGTB-GOTSBHOMSA-N 1 1 458.541 3.493 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164766391 721122271 /nfs/dbraw/zinc/12/22/71/721122271.db2.gz KXUQKBZFSGAYCM-SJORKVTESA-N 1 1 454.962 3.152 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)n1 ZINC001164880927 721133510 /nfs/dbraw/zinc/13/35/10/721133510.db2.gz XWEAZKIZXXCYGA-DLBZAZTESA-N 1 1 466.916 3.331 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164876502 721134552 /nfs/dbraw/zinc/13/45/52/721134552.db2.gz MVPRBLJXLBXEKF-MOPGFXCFSA-N 1 1 467.957 3.335 20 0 JGADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767538 721173154 /nfs/dbraw/zinc/17/31/54/721173154.db2.gz JZEWALRJPITIFY-RBUKOAKNSA-N 1 1 470.618 3.049 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164774472 721185108 /nfs/dbraw/zinc/18/51/08/721185108.db2.gz ZPUFIYIWQWRSJX-JKSUJKDBSA-N 1 1 453.921 3.148 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164773385 721186948 /nfs/dbraw/zinc/18/69/48/721186948.db2.gz WWIYBDLOCQXSBD-ZWKOTPCHSA-N 1 1 454.962 3.152 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C[C@@H]3C2)cn1 ZINC001164763254 721191021 /nfs/dbraw/zinc/19/10/21/721191021.db2.gz DZCJJHSPWJVBEA-MSOLQXFVSA-N 1 1 459.932 3.429 20 0 JGADMO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164871139 721225243 /nfs/dbraw/zinc/22/52/43/721225243.db2.gz IGFBEYSPBVXCOU-QFIPXVFZSA-N 1 1 451.615 3.162 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)COC(=O)Nc4cccnc4Cl)C[C@H]3C2)cn1 ZINC001164766175 721237558 /nfs/dbraw/zinc/23/75/58/721237558.db2.gz SJLOAFDDZZLQLU-JKSUJKDBSA-N 1 1 454.909 3.064 20 0 JGADMO Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3C2)cn1 ZINC001164765503 721248040 /nfs/dbraw/zinc/24/80/40/721248040.db2.gz RPUNKQYSTRRVQJ-RTBURBONSA-N 1 1 462.976 3.348 20 0 JGADMO c1cnc(N2CCO[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]32)cn1 ZINC001164766740 721264594 /nfs/dbraw/zinc/26/45/94/721264594.db2.gz OMRIHTKENCEGRK-MOPGFXCFSA-N 1 1 477.638 3.050 20 0 JGADMO c1cnc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)cn1 ZINC001164769370 721264769 /nfs/dbraw/zinc/26/47/69/721264769.db2.gz YAQWUGIFLNOEDV-RTBURBONSA-N 1 1 477.638 3.050 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4scc(-c5cccs5)c43)CC2)C1 ZINC001164868980 721266913 /nfs/dbraw/zinc/26/69/13/721266913.db2.gz ICGKYVNHKHHOPT-UHFFFAOYSA-N 1 1 471.652 3.427 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4ccccc4c(-c4ccccc4)n3)CC2)C1 ZINC001164868577 721272226 /nfs/dbraw/zinc/27/22/26/721272226.db2.gz CUMMUJFOXBYNPL-UHFFFAOYSA-N 1 1 459.594 3.304 20 0 JGADMO COc1ccc(-c2csc3ncnc(N4CCC5(CC4)COCC[N@@H+](CC(=O)N(C)C)C5)c23)cc1 ZINC001164875660 721283680 /nfs/dbraw/zinc/28/36/80/721283680.db2.gz YTFRLIZOOQCXMZ-UHFFFAOYSA-N 1 1 495.649 3.374 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)cc(C4CCCCC4)n3)CC2)C1 ZINC001164878683 721291852 /nfs/dbraw/zinc/29/18/52/721291852.db2.gz STMGHGDXTZVVMQ-UHFFFAOYSA-N 1 1 450.027 3.185 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC2)C1 ZINC001164874893 721292052 /nfs/dbraw/zinc/29/20/52/721292052.db2.gz DURFVVUREHUYPS-UHFFFAOYSA-N 1 1 484.897 3.306 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC2)C1 ZINC001164876623 721294226 /nfs/dbraw/zinc/29/42/26/721294226.db2.gz KGAVQMPOBOLHGA-UHFFFAOYSA-N 1 1 456.965 3.164 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164771296 721295554 /nfs/dbraw/zinc/29/55/54/721295554.db2.gz ZGJRUWUGGCOZRT-QZTJIDSGSA-N 1 1 460.573 3.148 20 0 JGADMO O=C(NCc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@H]2OCC[C@H]21 ZINC001164881973 721301824 /nfs/dbraw/zinc/30/18/24/721301824.db2.gz YVSLJAPWJSICDE-ZWEKWIFMSA-N 1 1 483.616 3.193 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)C2)cc1 ZINC001164881381 721312231 /nfs/dbraw/zinc/31/22/31/721312231.db2.gz VTSRMSSMNNEHOG-NQHRYMMQSA-N 1 1 457.578 3.493 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)C2)cc1 ZINC001164881381 721312234 /nfs/dbraw/zinc/31/22/34/721312234.db2.gz VTSRMSSMNNEHOG-NQHRYMMQSA-N 1 1 457.578 3.493 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3[C@H](C2)OCCN3c2ccc(C)nn2)n1 ZINC001164777703 721312569 /nfs/dbraw/zinc/31/25/69/721312569.db2.gz UPPUUMXEVFOULU-MOPGFXCFSA-N 1 1 467.643 3.342 20 0 JGADMO Cc1ccc(N2CCO[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)nn1 ZINC001164776199 721312663 /nfs/dbraw/zinc/31/26/63/721312663.db2.gz MEQFMAFCVPXHEG-WOJBJXKFSA-N 1 1 491.665 3.358 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)nc1 ZINC001164877083 721324310 /nfs/dbraw/zinc/32/43/10/721324310.db2.gz JBFPYNYKDUGHKD-LVVCFHABSA-N 1 1 464.614 3.222 20 0 JGADMO CN(C)C1=[NH+]OC2(C1)CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164877099 721327053 /nfs/dbraw/zinc/32/70/53/721327053.db2.gz SJUSZRNNGFZCGT-UHFFFAOYSA-N 1 1 470.643 3.037 20 0 JGADMO COC(=O)c1ccc2nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ncc2c1 ZINC001164776598 721337586 /nfs/dbraw/zinc/33/75/86/721337586.db2.gz GSWSLERLHOHEKK-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO COC(=O)c1ccc2nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ncc2c1 ZINC001164776598 721337594 /nfs/dbraw/zinc/33/75/94/721337594.db2.gz GSWSLERLHOHEKK-RUZDIDTESA-N 1 1 465.554 3.140 20 0 JGADMO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164883839 721349549 /nfs/dbraw/zinc/34/95/49/721349549.db2.gz MLPLHXUDUHJVPC-BVAGGSTKSA-N 1 1 469.589 3.012 20 0 JGADMO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164883839 721349552 /nfs/dbraw/zinc/34/95/52/721349552.db2.gz MLPLHXUDUHJVPC-BVAGGSTKSA-N 1 1 469.589 3.012 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC(=O)N3c2ccsc2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164881502 721357231 /nfs/dbraw/zinc/35/72/31/721357231.db2.gz CYSNUTFYMDOSCR-ZPMCFJSWSA-N 1 1 497.665 3.326 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)NC(C)(C)C)ccn3)C2)C1 ZINC001164780246 721360661 /nfs/dbraw/zinc/36/06/61/721360661.db2.gz DREIXRPCVQAJHI-VWLOTQADSA-N 1 1 455.603 3.334 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)NC(C)(C)C)ccn3)C2)C1 ZINC001164780246 721360663 /nfs/dbraw/zinc/36/06/63/721360663.db2.gz DREIXRPCVQAJHI-VWLOTQADSA-N 1 1 455.603 3.334 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCC[C@H](C)C4)ncn3)C2)C1 ZINC001164787017 721370367 /nfs/dbraw/zinc/37/03/67/721370367.db2.gz XHQDWPKNQHUGJI-DFBJGRDBSA-N 1 1 454.619 3.437 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCC[C@H](C)C4)ncn3)C2)C1 ZINC001164787017 721370373 /nfs/dbraw/zinc/37/03/73/721370373.db2.gz XHQDWPKNQHUGJI-DFBJGRDBSA-N 1 1 454.619 3.437 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(CC(=O)N(c5cnn(C)c5)C4)C3)c2c1C ZINC001164888085 721372611 /nfs/dbraw/zinc/37/26/11/721372611.db2.gz TZWZKUITZZKOGM-XMMPIXPASA-N 1 1 465.627 3.271 20 0 JGADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164787856 721376008 /nfs/dbraw/zinc/37/60/08/721376008.db2.gz XUBQRPLIAGXNFM-NPMXOYFQSA-N 1 1 477.993 3.130 20 0 JGADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164787856 721376012 /nfs/dbraw/zinc/37/60/12/721376012.db2.gz XUBQRPLIAGXNFM-NPMXOYFQSA-N 1 1 477.993 3.130 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5cc(F)c(F)cc5nc4Cl)C3)O2)CC1 ZINC001164893092 721403868 /nfs/dbraw/zinc/40/38/68/721403868.db2.gz ZYDZATFRXSXHIR-OYHNWAKOSA-N 1 1 451.949 3.327 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)[nH]c(C)c(C)c-2n1 ZINC001164888324 721420467 /nfs/dbraw/zinc/42/04/67/721420467.db2.gz OESQVLBDHCYARH-IBVKSMDESA-N 1 1 469.630 3.122 20 0 JGADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164887177 721422592 /nfs/dbraw/zinc/42/25/92/721422592.db2.gz LHKVIFGRJISAGH-LVXARBLLSA-N 1 1 452.599 3.177 20 0 JGADMO COc1cccc(Oc2cncc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n2)c1 ZINC001164893117 721424620 /nfs/dbraw/zinc/42/46/20/721424620.db2.gz JALKFZWVUNUHNJ-WIOPSUGQSA-N 1 1 453.587 3.043 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164896229 721426316 /nfs/dbraw/zinc/42/63/16/721426316.db2.gz RGNUJAAVEBIGSI-GCJKJVERSA-N 1 1 481.975 3.473 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5ccn(C(=O)c6ccccc6)c5n4)C3)O2)CC1 ZINC001164893782 721429259 /nfs/dbraw/zinc/42/92/59/721429259.db2.gz KKGPOLJFAZANKD-YWEHKCAJSA-N 1 1 473.621 3.490 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5nc(C(C)(C)C)no5)ccn4)C3)O2)CC1 ZINC001164899970 721429398 /nfs/dbraw/zinc/42/93/98/721429398.db2.gz ZQGNJDSLQNZYLT-NLFFAJNJSA-N 1 1 454.619 3.195 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C3)O2)CC1 ZINC001164898229 721430675 /nfs/dbraw/zinc/43/06/75/721430675.db2.gz VMQJTRFXAOLKEB-IQGLISFBSA-N 1 1 485.633 3.070 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164786602 721451321 /nfs/dbraw/zinc/45/13/21/721451321.db2.gz NFOHTSJZCUVHRH-KRWDZBQOSA-N 1 1 486.991 3.113 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164892744 721451900 /nfs/dbraw/zinc/45/19/00/721451900.db2.gz XVJUXHGFFWYUHO-NQIIRXRSSA-N 1 1 487.979 3.137 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(C(=O)OC)ccc31)CC2 ZINC001164790227 721452639 /nfs/dbraw/zinc/45/26/39/721452639.db2.gz XMCMGBINECLTRT-NRFANRHFSA-N 1 1 468.598 3.150 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ccc(C(=O)OC)cc31)CC2 ZINC001164786498 721453484 /nfs/dbraw/zinc/45/34/84/721453484.db2.gz MRWGVDISZMJGCS-OAQYLSRUSA-N 1 1 468.598 3.150 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(COC)nc(SC)n1)CC2 ZINC001164790022 721458841 /nfs/dbraw/zinc/45/88/41/721458841.db2.gz ZACBIVZUVAHHRG-HXUWFJFHSA-N 1 1 450.649 3.079 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@@H]32)n1 ZINC001164886671 721459143 /nfs/dbraw/zinc/45/91/43/721459143.db2.gz IFNUUSXCXKGHHF-FHWLQOOXSA-N 1 1 457.644 3.412 20 0 JGADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788662 721459517 /nfs/dbraw/zinc/45/95/17/721459517.db2.gz VKNOIXDYCPXBAQ-OAQYLSRUSA-N 1 1 472.630 3.265 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164785811 721463696 /nfs/dbraw/zinc/46/36/96/721463696.db2.gz NPYGEXXOXHMWLK-QFIPXVFZSA-N 1 1 488.673 3.292 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164790660 721465070 /nfs/dbraw/zinc/46/50/70/721465070.db2.gz TYPUWIXNCINMNJ-KRWDZBQOSA-N 1 1 492.020 3.132 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164787466 721469895 /nfs/dbraw/zinc/46/98/95/721469895.db2.gz FZVJGKFQEQPTLJ-INIZCTEOSA-N 1 1 481.428 3.461 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164787226 721473128 /nfs/dbraw/zinc/47/31/28/721473128.db2.gz DMRJNRFLYMSINB-UXHICEINSA-N 1 1 481.037 3.032 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nnc1OC)CC2 ZINC001164789871 721473136 /nfs/dbraw/zinc/47/31/36/721473136.db2.gz ORFMRNYFMHVDOV-KRWDZBQOSA-N 1 1 474.980 3.417 20 0 JGADMO O=C([C@@H]1CCO[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCO1 ZINC001164792700 721480357 /nfs/dbraw/zinc/48/03/57/721480357.db2.gz OSPNOYBQJUNBIG-GIFXNVAJSA-N 1 1 462.594 3.035 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)c2c1C ZINC001164892639 721483688 /nfs/dbraw/zinc/48/36/88/721483688.db2.gz AXHDYZMYFGKDFD-KBMIEXCESA-N 1 1 469.655 3.273 20 0 JGADMO c1ccc(CN2CCc3nc(N(C[C@@H]4OC[C@H]5CC[NH2+]C[C@@H]45)c4ncccn4)ccc3C2)cc1 ZINC001164793276 721483954 /nfs/dbraw/zinc/48/39/54/721483954.db2.gz UBTWRSPIHGKRFD-OYRHQHFDSA-N 1 1 456.594 3.193 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791314 721497438 /nfs/dbraw/zinc/49/74/38/721497438.db2.gz AFUFEHGJTYDZQK-UHFFFAOYSA-N 1 1 484.004 3.319 20 0 JGADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)CC2 ZINC001164795436 721498711 /nfs/dbraw/zinc/49/87/11/721498711.db2.gz GVRDQZBLGVUSKK-UHFFFAOYSA-N 1 1 485.988 3.203 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900104 721512664 /nfs/dbraw/zinc/51/26/64/721512664.db2.gz OAZCZBCMJMQPSH-ZBFHGGJFSA-N 1 1 470.879 3.333 20 0 JGADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164898583 721518505 /nfs/dbraw/zinc/51/85/05/721518505.db2.gz JERNZMWVHGXFFK-HKUYNNGSSA-N 1 1 455.559 3.009 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164794818 721526090 /nfs/dbraw/zinc/52/60/90/721526090.db2.gz IEDGRXXFBGLUSR-WSTZPKSXSA-N 1 1 467.595 3.440 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164794818 721526093 /nfs/dbraw/zinc/52/60/93/721526093.db2.gz IEDGRXXFBGLUSR-WSTZPKSXSA-N 1 1 467.595 3.440 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164794866 721528234 /nfs/dbraw/zinc/52/82/34/721528234.db2.gz IQPTZMSAOVIZPU-OKZBNKHCSA-N 1 1 481.931 3.115 20 0 JGADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164794866 721528237 /nfs/dbraw/zinc/52/82/37/721528237.db2.gz IQPTZMSAOVIZPU-OKZBNKHCSA-N 1 1 481.931 3.115 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)NCc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164799902 721533334 /nfs/dbraw/zinc/53/33/34/721533334.db2.gz BRUIFAXOZLSSHN-SDHSZQHLSA-N 1 1 457.578 3.275 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)NCc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164799902 721533336 /nfs/dbraw/zinc/53/33/36/721533336.db2.gz BRUIFAXOZLSSHN-SDHSZQHLSA-N 1 1 457.578 3.275 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808365 721547306 /nfs/dbraw/zinc/54/73/06/721547306.db2.gz RRICFYAUBFKQSX-BJLQDIEVSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808365 721547312 /nfs/dbraw/zinc/54/73/12/721547312.db2.gz RRICFYAUBFKQSX-BJLQDIEVSA-N 1 1 466.916 3.330 20 0 JGADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905793 721548879 /nfs/dbraw/zinc/54/88/79/721548879.db2.gz IHRWJENKHQSSNX-GHTZIAJQSA-N 1 1 484.553 3.153 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)[C@H]2CCCO[C@H]12 ZINC001164799182 721552279 /nfs/dbraw/zinc/55/22/79/721552279.db2.gz BAUSTAAEPQGREE-JTJHWIPRSA-N 1 1 484.004 3.442 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)[C@H]2CCCO[C@H]12 ZINC001164799182 721552281 /nfs/dbraw/zinc/55/22/81/721552281.db2.gz BAUSTAAEPQGREE-JTJHWIPRSA-N 1 1 484.004 3.442 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164801448 721555929 /nfs/dbraw/zinc/55/59/29/721555929.db2.gz GPSZIEKKRFVSSM-QHAWAJNXSA-N 1 1 467.957 3.333 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164801448 721555933 /nfs/dbraw/zinc/55/59/33/721555933.db2.gz GPSZIEKKRFVSSM-QHAWAJNXSA-N 1 1 467.957 3.333 20 0 JGADMO O=C(Nc1nncs1)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164911452 721557926 /nfs/dbraw/zinc/55/79/26/721557926.db2.gz ZETZLMZTAZVHSI-NVXWUHKLSA-N 1 1 474.949 3.320 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164908783 721562030 /nfs/dbraw/zinc/56/20/30/721562030.db2.gz SCWSFAZWFJDXMM-ILBGXUMGSA-N 1 1 475.568 3.461 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)[C@H]2CCCO[C@H]12 ZINC001164808239 721563462 /nfs/dbraw/zinc/56/34/62/721563462.db2.gz UUBNVFUHQHZMNJ-QKLQHJQFSA-N 1 1 460.916 3.486 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)[C@H]2CCCO[C@H]12 ZINC001164808239 721563465 /nfs/dbraw/zinc/56/34/65/721563465.db2.gz UUBNVFUHQHZMNJ-QKLQHJQFSA-N 1 1 460.916 3.486 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164808236 721563645 /nfs/dbraw/zinc/56/36/45/721563645.db2.gz UUBNVFUHQHZMNJ-MBOZVWFJSA-N 1 1 460.916 3.486 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164808236 721563650 /nfs/dbraw/zinc/56/36/50/721563650.db2.gz UUBNVFUHQHZMNJ-MBOZVWFJSA-N 1 1 460.916 3.486 20 0 JGADMO Cc1cc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc(N3CCOCC3)c2s1 ZINC001164804015 721563709 /nfs/dbraw/zinc/56/37/09/721563709.db2.gz KRCKQAGJKVKYJL-FSSWDIPSSA-N 1 1 480.638 3.100 20 0 JGADMO Cc1cc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc(N3CCOCC3)c2s1 ZINC001164804015 721563715 /nfs/dbraw/zinc/56/37/15/721563715.db2.gz KRCKQAGJKVKYJL-FSSWDIPSSA-N 1 1 480.638 3.100 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799291 721582402 /nfs/dbraw/zinc/58/24/02/721582402.db2.gz AQDXCLZCDGXAMT-QRVBRYPASA-N 1 1 486.001 3.102 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)Nc3nncs3)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799291 721582404 /nfs/dbraw/zinc/58/24/04/721582404.db2.gz AQDXCLZCDGXAMT-QRVBRYPASA-N 1 1 486.001 3.102 20 0 JGADMO CN(C)c1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(Cl)n1 ZINC001164801857 721588728 /nfs/dbraw/zinc/58/87/28/721588728.db2.gz FZCVSEAPTNPUGV-GJYPPUQNSA-N 1 1 452.937 3.004 20 0 JGADMO CN(C)c1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(Cl)n1 ZINC001164801857 721588730 /nfs/dbraw/zinc/58/87/30/721588730.db2.gz FZCVSEAPTNPUGV-GJYPPUQNSA-N 1 1 452.937 3.004 20 0 JGADMO CC(C)NC(=O)C[C@H]1CC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)Oc2ccccc21 ZINC001164801656 721593579 /nfs/dbraw/zinc/59/35/79/721593579.db2.gz RWCFNVAIQYKBEY-NRFANRHFSA-N 1 1 478.641 3.048 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)nc1 ZINC001164797352 721594554 /nfs/dbraw/zinc/59/45/54/721594554.db2.gz GIXJCICRKAVXIE-ZJSXRUAMSA-N 1 1 456.612 3.329 20 0 JGADMO CCOC(=O)c1cc(Cl)nnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908007 721694920 /nfs/dbraw/zinc/69/49/20/721694920.db2.gz XZCLNKVSWONIHW-FQEVSTJZSA-N 1 1 451.905 3.439 20 0 JGADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907918 721700784 /nfs/dbraw/zinc/70/07/84/721700784.db2.gz WLADUUBPGPLYII-OAQYLSRUSA-N 1 1 465.932 3.368 20 0 JGADMO CN1CCOc2c(Cl)nnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164904116 721719980 /nfs/dbraw/zinc/71/99/80/721719980.db2.gz ABPVHSBNSNXCSJ-FQEVSTJZSA-N 1 1 450.921 3.091 20 0 JGADMO FC1(F)CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906455 721723279 /nfs/dbraw/zinc/72/32/79/721723279.db2.gz MANIZDMWGBGCFV-XMMPIXPASA-N 1 1 484.599 3.205 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3scnc3c(N3CCOCC3)n1)C2 ZINC001164907835 721749328 /nfs/dbraw/zinc/74/93/28/721749328.db2.gz BNHXUFYRNJVHRJ-UHFFFAOYSA-N 1 1 477.594 3.106 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3scnc3c(N3CCOCC3)n1)C2 ZINC001164907835 721749335 /nfs/dbraw/zinc/74/93/35/721749335.db2.gz BNHXUFYRNJVHRJ-UHFFFAOYSA-N 1 1 477.594 3.106 20 0 JGADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)C2 ZINC001164911489 721763395 /nfs/dbraw/zinc/76/33/95/721763395.db2.gz PDQVGTSJPMVOPZ-UHFFFAOYSA-N 1 1 467.595 3.049 20 0 JGADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)C2 ZINC001164911489 721763402 /nfs/dbraw/zinc/76/34/02/721763402.db2.gz PDQVGTSJPMVOPZ-UHFFFAOYSA-N 1 1 467.595 3.049 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)c2c1C ZINC001165023760 721777273 /nfs/dbraw/zinc/77/72/73/721777273.db2.gz UUPMYYNGQGDTKM-IBVKSMDESA-N 1 1 499.681 3.138 20 0 JGADMO C[C@H]1CCc2c(sc3ncnc(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c23)C1 ZINC001164916987 721781646 /nfs/dbraw/zinc/78/16/46/721781646.db2.gz UTGDDELGDORNDZ-BVZFJXPGSA-N 1 1 465.623 3.319 20 0 JGADMO C[C@H]1CCc2c(sc3ncnc(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c23)C1 ZINC001164916987 721781648 /nfs/dbraw/zinc/78/16/48/721781648.db2.gz UTGDDELGDORNDZ-BVZFJXPGSA-N 1 1 465.623 3.319 20 0 JGADMO Clc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1Cl ZINC001164916591 721790681 /nfs/dbraw/zinc/79/06/81/721790681.db2.gz QZBBKMUALXQZCX-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1Cl ZINC001164916591 721790682 /nfs/dbraw/zinc/79/06/82/721790682.db2.gz QZBBKMUALXQZCX-QFIPXVFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2c(Cl)ncnc2c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913710 721801014 /nfs/dbraw/zinc/80/10/14/721801014.db2.gz GHHZVGBYRGTRJK-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2c(Cl)ncnc2c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913710 721801016 /nfs/dbraw/zinc/80/10/16/721801016.db2.gz GHHZVGBYRGTRJK-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)C[C@H]21 ZINC001165020352 721806794 /nfs/dbraw/zinc/80/67/94/721806794.db2.gz FGOVSPYODYERDD-DFQSSKMNSA-N 1 1 465.627 3.055 20 0 JGADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018766 721816819 /nfs/dbraw/zinc/81/68/19/721816819.db2.gz AAFHBZRDXVJIKE-QXAKKESOSA-N 1 1 484.004 3.175 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc2C1 ZINC001165027696 721824239 /nfs/dbraw/zinc/82/42/39/721824239.db2.gz TUCFGORMIOGACD-QTGUNEKASA-N 1 1 450.587 3.123 20 0 JGADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)C1 ZINC001165025161 721824321 /nfs/dbraw/zinc/82/43/21/721824321.db2.gz MCAWUFDSIKXTCT-SGKWCMOWSA-N 1 1 478.641 3.388 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)N4CCOCC4)cc3Cl)C[C@H]21 ZINC001165024615 721825190 /nfs/dbraw/zinc/82/51/90/721825190.db2.gz KTZQKDQDLMZYAU-JMUQELJHSA-N 1 1 470.017 3.339 20 0 JGADMO Cc1nc(CN2CCOC[C@]3(CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CCO3)C2)cs1 ZINC001164922233 721829089 /nfs/dbraw/zinc/82/90/89/721829089.db2.gz NLFDHQBSHVAXOF-HSZRJFAPSA-N 1 1 478.062 3.204 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)C2)cc1 ZINC001164925712 721838840 /nfs/dbraw/zinc/83/88/40/721838840.db2.gz POHBXEKFVXOZKD-AMGIVPHBSA-N 1 1 457.578 3.100 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)C2)cc1 ZINC001164925712 721838841 /nfs/dbraw/zinc/83/88/41/721838841.db2.gz POHBXEKFVXOZKD-AMGIVPHBSA-N 1 1 457.578 3.100 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN(Cc3nc(OC)cc(OC)n3)CC2)n1 ZINC001165030491 721850153 /nfs/dbraw/zinc/85/01/53/721850153.db2.gz QZQSCEXTFPHNJS-UHFFFAOYSA-N 1 1 485.658 3.279 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164934627 721879143 /nfs/dbraw/zinc/87/91/43/721879143.db2.gz STIOTMNRXAKANL-VQTJNVASSA-N 1 1 454.688 3.381 20 0 JGADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164934627 721879144 /nfs/dbraw/zinc/87/91/44/721879144.db2.gz STIOTMNRXAKANL-VQTJNVASSA-N 1 1 454.688 3.381 20 0 JGADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933921 721880189 /nfs/dbraw/zinc/88/01/89/721880189.db2.gz OSTFUGBGNZBYRB-WOJBJXKFSA-N 1 1 454.688 3.381 20 0 JGADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933921 721880191 /nfs/dbraw/zinc/88/01/91/721880191.db2.gz OSTFUGBGNZBYRB-WOJBJXKFSA-N 1 1 454.688 3.381 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)c2c1C ZINC001164937653 721918777 /nfs/dbraw/zinc/91/87/77/721918777.db2.gz FWHJGWRLORLCFN-IBVKSMDESA-N 1 1 499.681 3.281 20 0 JGADMO COC(=O)C1CCN(c2nccnc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC1 ZINC001164940630 721928631 /nfs/dbraw/zinc/92/86/31/721928631.db2.gz VANJEODFHJPBBZ-UHFFFAOYSA-N 1 1 479.625 3.046 20 0 JGADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1 ZINC001165045135 721939757 /nfs/dbraw/zinc/93/97/57/721939757.db2.gz VIQFZMNPTHLFDS-UHFFFAOYSA-N 1 1 488.347 3.456 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@@H]5CN(S(C)(=O)=O)C[C@H]54)c23)C1 ZINC001164953909 721985043 /nfs/dbraw/zinc/98/50/43/721985043.db2.gz SMTUCNMFXWZICR-ZHALLVOQSA-N 1 1 489.711 3.272 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@H]32)n1 ZINC001164948143 721985076 /nfs/dbraw/zinc/98/50/76/721985076.db2.gz DVMAOKNAZRTFLP-IAGOWNOFSA-N 1 1 451.662 3.010 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@@H]32)n1 ZINC001164952373 721985833 /nfs/dbraw/zinc/98/58/33/721985833.db2.gz OZIUIWNJCQDKSF-HKUYNNGSSA-N 1 1 471.652 3.280 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@H]32)n1 ZINC001164952374 721985929 /nfs/dbraw/zinc/98/59/29/721985929.db2.gz OZIUIWNJCQDKSF-IEBWSBKVSA-N 1 1 471.652 3.280 20 0 JGADMO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164960606 722028684 /nfs/dbraw/zinc/02/86/84/722028684.db2.gz LIRBWXWZGHTHJB-RBZQAINGSA-N 1 1 461.541 3.384 20 0 JGADMO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164960606 722028686 /nfs/dbraw/zinc/02/86/86/722028686.db2.gz LIRBWXWZGHTHJB-RBZQAINGSA-N 1 1 461.541 3.384 20 0 JGADMO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164960607 722028789 /nfs/dbraw/zinc/02/87/89/722028789.db2.gz LIRBWXWZGHTHJB-SMIHKQSGSA-N 1 1 461.541 3.384 20 0 JGADMO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164960607 722028793 /nfs/dbraw/zinc/02/87/93/722028793.db2.gz LIRBWXWZGHTHJB-SMIHKQSGSA-N 1 1 461.541 3.384 20 0 JGADMO c1nc2c(ncnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1-c1ccccc1 ZINC001164960757 722061530 /nfs/dbraw/zinc/06/15/30/722061530.db2.gz KLGOADZAJAOYQF-UHFFFAOYSA-N 1 1 455.566 3.330 20 0 JGADMO CC(=O)N1CCC[C@]2(C1)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CCO2 ZINC001164969272 722083770 /nfs/dbraw/zinc/08/37/70/722083770.db2.gz LXNKLEVZOYUOCR-VWLOTQADSA-N 1 1 469.655 3.384 20 0 JGADMO O=C(NCc1ccccc1)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980062 722103531 /nfs/dbraw/zinc/10/35/31/722103531.db2.gz JEBUEKLLJJGRKV-UKILVPOCSA-N 1 1 457.578 3.134 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981399 722107384 /nfs/dbraw/zinc/10/73/84/722107384.db2.gz LHMDIOMIODMGPP-SJLPKXTDSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981397 722107428 /nfs/dbraw/zinc/10/74/28/722107428.db2.gz LHMDIOMIODMGPP-FUHWJXTLSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983149 722113799 /nfs/dbraw/zinc/11/37/99/722113799.db2.gz YKAQGVYVQJBOAW-AEFFLSMTSA-N 1 1 466.916 3.189 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979022 722117251 /nfs/dbraw/zinc/11/72/51/722117251.db2.gz OSDDOXSLONZKCI-IAGOWNOFSA-N 1 1 478.018 3.151 20 0 JGADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979020 722117719 /nfs/dbraw/zinc/11/77/19/722117719.db2.gz OSDDOXSLONZKCI-DLBZAZTESA-N 1 1 478.018 3.151 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983801 722136512 /nfs/dbraw/zinc/13/65/12/722136512.db2.gz UZOJCZKXMWFJDM-QFBILLFUSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983802 722136588 /nfs/dbraw/zinc/13/65/88/722136588.db2.gz UZOJCZKXMWFJDM-VQIMIIECSA-N 1 1 466.916 3.189 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164980316 722142527 /nfs/dbraw/zinc/14/25/27/722142527.db2.gz MTBJYWWUORWHFM-BWKNWUBXSA-N 1 1 459.550 3.037 20 0 JGADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975177 722151195 /nfs/dbraw/zinc/15/11/95/722151195.db2.gz FHRDLSJOWVMAHQ-QZTJIDSGSA-N 1 1 476.915 3.452 20 0 JGADMO COc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c(OC)c1OC ZINC001164977979 722151259 /nfs/dbraw/zinc/15/12/59/722151259.db2.gz JAHYPWFHBUCGSE-YKSBVNFPSA-N 1 1 491.592 3.292 20 0 JGADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971291 722158816 /nfs/dbraw/zinc/15/88/16/722158816.db2.gz BOXVVNDBWRHWCU-HZPDHXFCSA-N 1 1 480.972 3.493 20 0 JGADMO Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2ccnc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164992052 722189343 /nfs/dbraw/zinc/18/93/43/722189343.db2.gz VAPXCEBBQMDSGP-UHFFFAOYSA-N 1 1 472.593 3.328 20 0 JGADMO CCOC(=O)c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1C(=O)OCC ZINC001164994687 722196439 /nfs/dbraw/zinc/19/64/39/722196439.db2.gz PBYSSFRJJZPLMU-DEOSSOPVSA-N 1 1 456.518 3.214 20 0 JGADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993725 722205685 /nfs/dbraw/zinc/20/56/85/722205685.db2.gz AFSVYKKYIOMWDU-LJQANCHMSA-N 1 1 474.936 3.311 20 0 JGADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993725 722205688 /nfs/dbraw/zinc/20/56/88/722205688.db2.gz AFSVYKKYIOMWDU-LJQANCHMSA-N 1 1 474.936 3.311 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4C[C@@H](C(=O)NC(C)C)C[C@H]43)c2c1C ZINC001164995108 722216215 /nfs/dbraw/zinc/21/62/15/722216215.db2.gz GPQTWFNHBCCMMB-IPMKNSEASA-N 1 1 457.644 3.412 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccccc4)nc(-c4ccccc4)n2)CC3)CC1 ZINC001164996666 722232771 /nfs/dbraw/zinc/23/27/71/722232771.db2.gz HXUDIOGPJKBNIK-UHFFFAOYSA-N 1 1 478.604 3.353 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccc(C5OCCCO5)cc4)cn2)CC3)CC1 ZINC001164996705 722236023 /nfs/dbraw/zinc/23/60/23/722236023.db2.gz HZUZWRJKGYGPTC-UHFFFAOYSA-N 1 1 486.620 3.331 20 0 JGADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4cccnc4)nc4sc5c(c42)CCC5)CC3)CC1 ZINC001165001114 722237673 /nfs/dbraw/zinc/23/76/73/722237673.db2.gz CREHYXXVLQNIBA-UHFFFAOYSA-N 1 1 498.660 3.389 20 0 JGADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)Oc1ccccc1F ZINC001305802338 1069325526 /nfs/dbraw/zinc/32/55/26/1069325526.db2.gz CYZLIIWIZMVFPL-GUDVDZBRSA-N 1 1 458.582 3.086 20 0 JGADMO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001305804774 1069330258 /nfs/dbraw/zinc/33/02/58/1069330258.db2.gz VJGUZFUWIFLLSI-GMAHTHKFSA-N 1 1 484.645 3.121 20 0 JGADMO CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001305810019 1069340204 /nfs/dbraw/zinc/34/02/04/1069340204.db2.gz OAIKDRMZCJWVOV-SVFBPWRDSA-N 1 1 461.582 3.141 20 0 JGADMO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)OC ZINC001305813993 1069345392 /nfs/dbraw/zinc/34/53/92/1069345392.db2.gz LIOCBMNZCXNYJA-APWZRJJASA-N 1 1 466.424 3.290 20 0 JGADMO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305816737 1069350883 /nfs/dbraw/zinc/35/08/83/1069350883.db2.gz VGSQNPCQMLKBNU-IEBWSBKVSA-N 1 1 464.010 3.191 20 0 JGADMO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC(N)=O)[N@H+]1CCc2ccccc2C1 ZINC001305826748 1069366238 /nfs/dbraw/zinc/36/62/38/1069366238.db2.gz KKBNSKBAABFAEW-DENIHFKCSA-N 1 1 461.614 3.186 20 0 JGADMO CC[C@@H](Cn1c(C2CCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305830393 1069371034 /nfs/dbraw/zinc/37/10/34/1069371034.db2.gz RJTIZGRGJJCIKP-NSHGMRRFSA-N 1 1 464.655 3.394 20 0 JGADMO CC[C@@H](Cn1c(C2CCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305830393 1069371045 /nfs/dbraw/zinc/37/10/45/1069371045.db2.gz RJTIZGRGJJCIKP-NSHGMRRFSA-N 1 1 464.655 3.394 20 0 JGADMO CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1)OC ZINC001305839670 1069386039 /nfs/dbraw/zinc/38/60/39/1069386039.db2.gz ZOMHEBGIPGTYNJ-YADHBBJMSA-N 1 1 461.054 3.164 20 0 JGADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305841077 1069389039 /nfs/dbraw/zinc/38/90/39/1069389039.db2.gz HILGFIPLFWUGJO-NRSPTQNISA-N 1 1 469.634 3.240 20 0 JGADMO CC[C@@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001305846009 1069395681 /nfs/dbraw/zinc/39/56/81/1069395681.db2.gz PPWATMIJGZIRDW-SFTDATJTSA-N 1 1 478.037 3.197 20 0 JGADMO CC[C@@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001305846009 1069395689 /nfs/dbraw/zinc/39/56/89/1069395689.db2.gz PPWATMIJGZIRDW-SFTDATJTSA-N 1 1 478.037 3.197 20 0 JGADMO CCC(O)(CC)Cn1c(-c2ccccc2C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001305851044 1069404130 /nfs/dbraw/zinc/40/41/30/1069404130.db2.gz ADPYJFRKTYTWAE-HSZRJFAPSA-N 1 1 484.689 3.036 20 0 JGADMO CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001305857855 1069412817 /nfs/dbraw/zinc/41/28/17/1069412817.db2.gz OMRFZIQKWYMBCB-NHCUHLMSSA-N 1 1 465.683 3.295 20 0 JGADMO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001305881189 1069434239 /nfs/dbraw/zinc/43/42/39/1069434239.db2.gz JRSNUBCJEKWQOD-YIXXDRMTSA-N 1 1 498.672 3.389 20 0 JGADMO CC[C@]1(C)CN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001305890394 1069447362 /nfs/dbraw/zinc/44/73/62/1069447362.db2.gz NLVLIGNUKZLCTE-BKMJKUGQSA-N 1 1 471.646 3.240 20 0 JGADMO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001305890396 1069447381 /nfs/dbraw/zinc/44/73/81/1069447381.db2.gz NLVLIGNUKZLCTE-NVQXNPDNSA-N 1 1 471.646 3.240 20 0 JGADMO CC[C@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC001305890040 1069446733 /nfs/dbraw/zinc/44/67/33/1069446733.db2.gz CNDRTHFXKDMJCN-RCZVLFRGSA-N 1 1 489.686 3.074 20 0 JGADMO CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001305892301 1069449262 /nfs/dbraw/zinc/44/92/62/1069449262.db2.gz ADMNLVRKTWTOLN-VWLOTQADSA-N 1 1 473.618 3.054 20 0 JGADMO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001305894285 1069452357 /nfs/dbraw/zinc/45/23/57/1069452357.db2.gz WWERBEDYRJXJDI-HXUWFJFHSA-N 1 1 488.702 3.353 20 0 JGADMO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOCC2(C)C)CCS1 ZINC001305899129 1069456925 /nfs/dbraw/zinc/45/69/25/1069456925.db2.gz XPCGULOHFYOKIL-UHFFFAOYSA-N 1 1 475.707 3.363 20 0 JGADMO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOCC2(C)C)CCS1 ZINC001305899129 1069456935 /nfs/dbraw/zinc/45/69/35/1069456935.db2.gz XPCGULOHFYOKIL-UHFFFAOYSA-N 1 1 475.707 3.363 20 0 JGADMO CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+]2CCCO)CCS1 ZINC001305898578 1069456548 /nfs/dbraw/zinc/45/65/48/1069456548.db2.gz PZSSFLDDPFPZFS-OAQYLSRUSA-N 1 1 475.707 3.099 20 0 JGADMO C[N@H+]1C[C@@]23CN(C(=O)CCOc4cccc(I)c4)C[C@]2(C1)CCCC3 ZINC001305905888 1069462261 /nfs/dbraw/zinc/46/22/61/1069462261.db2.gz KVDWNCCNKYGMAN-BGYRXZFFSA-N 1 1 454.352 3.395 20 0 JGADMO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[N@@H+](C)C1CCCCC1 ZINC001298208576 1064126193 /nfs/dbraw/zinc/12/61/93/1064126193.db2.gz MCPCLDKXJWJOSH-UHFFFAOYSA-N 1 1 470.618 3.289 20 0 JGADMO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298219908 1064133682 /nfs/dbraw/zinc/13/36/82/1064133682.db2.gz GNSCGAJBSSTMON-UHFFFAOYSA-N 1 1 484.004 3.179 20 0 JGADMO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298221347 1064135134 /nfs/dbraw/zinc/13/51/34/1064135134.db2.gz HCGGCUGTTICLTN-UHFFFAOYSA-N 1 1 498.031 3.103 20 0 JGADMO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298221347 1064135142 /nfs/dbraw/zinc/13/51/42/1064135142.db2.gz HCGGCUGTTICLTN-UHFFFAOYSA-N 1 1 498.031 3.103 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1CC1CCC(F)(F)CC1 ZINC001298235451 1064140756 /nfs/dbraw/zinc/14/07/56/1064140756.db2.gz DYKOIWMZSDMFAT-UHFFFAOYSA-N 1 1 463.577 3.355 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1Cc1cccc(C(C)(C)O)c1 ZINC001298235754 1064141489 /nfs/dbraw/zinc/14/14/89/1064141489.db2.gz KABFFMDDWWEZKI-UHFFFAOYSA-N 1 1 478.641 3.410 20 0 JGADMO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccn2C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298236379 1064142239 /nfs/dbraw/zinc/14/22/39/1064142239.db2.gz TZRLIDZRLMDLDX-UHFFFAOYSA-N 1 1 471.694 3.200 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1Cc1cccc(C(C)(C)O)c1 ZINC001298238821 1064142743 /nfs/dbraw/zinc/14/27/43/1064142743.db2.gz AJJYPEMEVAYZSY-JOCHJYFZSA-N 1 1 471.646 3.200 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CC1 ZINC001298236598 1064142793 /nfs/dbraw/zinc/14/27/93/1064142793.db2.gz XZWGCVODGVNKDQ-UHFFFAOYSA-N 1 1 478.435 3.027 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1ccsc1 ZINC001298238953 1064143573 /nfs/dbraw/zinc/14/35/73/1064143573.db2.gz CGEBLGNTARAXGI-YKSBVNFPSA-N 1 1 477.675 3.284 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO1 ZINC001298240282 1064145416 /nfs/dbraw/zinc/14/54/16/1064145416.db2.gz PRUQISGTJSLRAO-NJDAHSKKSA-N 1 1 463.667 3.170 20 0 JGADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001298240786 1064146547 /nfs/dbraw/zinc/14/65/47/1064146547.db2.gz WXHCVTBIZNFTNA-CLOONOSVSA-N 1 1 492.064 3.138 20 0 JGADMO CN(CC(F)(F)F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001298240884 1064146663 /nfs/dbraw/zinc/14/66/63/1064146663.db2.gz RIPNBEBBMQAILV-IBGZPJMESA-N 1 1 487.530 3.489 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001298250505 1064150208 /nfs/dbraw/zinc/15/02/08/1064150208.db2.gz YCCKVECNRKPBQJ-JKIFEVAISA-N 1 1 456.538 3.372 20 0 JGADMO CN(CC(F)(F)F)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298257778 1064154457 /nfs/dbraw/zinc/15/44/57/1064154457.db2.gz YCFBAZMEEKQOLQ-RBUKOAKNSA-N 1 1 453.509 3.419 20 0 JGADMO CN(Cc1cc(Br)cs1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298260147 1064155024 /nfs/dbraw/zinc/15/50/24/1064155024.db2.gz QNRKQVPCEDPWAP-OAHLLOKOSA-N 1 1 484.464 3.353 20 0 JGADMO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(Cc2ccccn2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298269091 1064161278 /nfs/dbraw/zinc/16/12/78/1064161278.db2.gz MLWMSRHJLRMXEA-UHFFFAOYSA-N 1 1 474.531 3.428 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001298270541 1064162560 /nfs/dbraw/zinc/16/25/60/1064162560.db2.gz HUBJMEXYTYVTTB-LJQANCHMSA-N 1 1 462.589 3.113 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298270541 1064162565 /nfs/dbraw/zinc/16/25/65/1064162565.db2.gz HUBJMEXYTYVTTB-LJQANCHMSA-N 1 1 462.589 3.113 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298270541 1064162572 /nfs/dbraw/zinc/16/25/72/1064162572.db2.gz HUBJMEXYTYVTTB-LJQANCHMSA-N 1 1 462.589 3.113 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298271564 1064163143 /nfs/dbraw/zinc/16/31/43/1064163143.db2.gz QZGQNCCLORMSRP-SFHVURJKSA-N 1 1 481.613 3.217 20 0 JGADMO CN(Cc1cc(F)cc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298271564 1064163146 /nfs/dbraw/zinc/16/31/46/1064163146.db2.gz QZGQNCCLORMSRP-SFHVURJKSA-N 1 1 481.613 3.217 20 0 JGADMO CN(Cc1ccc(Br)s1)c1nnc(C2CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001298282299 1064168780 /nfs/dbraw/zinc/16/87/80/1064168780.db2.gz CLGXMNPMRVMMRZ-OAHLLOKOSA-N 1 1 454.438 3.463 20 0 JGADMO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCOC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298281977 1064168836 /nfs/dbraw/zinc/16/88/36/1064168836.db2.gz PXYKOYZMAVIFGE-SJORKVTESA-N 1 1 482.423 3.011 20 0 JGADMO CN(Cc1ccc(C(=O)NC2CC2)cc1)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001298285088 1064172666 /nfs/dbraw/zinc/17/26/66/1064172666.db2.gz COKOXRUELVEBPR-UHFFFAOYSA-N 1 1 468.646 3.118 20 0 JGADMO CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001298309924 1064186936 /nfs/dbraw/zinc/18/69/36/1064186936.db2.gz OCTAZCYRUKBNCE-AZUAARDMSA-N 1 1 463.623 3.076 20 0 JGADMO CN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298309924 1064186946 /nfs/dbraw/zinc/18/69/46/1064186946.db2.gz OCTAZCYRUKBNCE-AZUAARDMSA-N 1 1 463.623 3.076 20 0 JGADMO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298317349 1064192512 /nfs/dbraw/zinc/19/25/12/1064192512.db2.gz RIJZPVAHKYPMJK-IRLDBZIGSA-N 1 1 489.686 3.332 20 0 JGADMO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298321599 1064197540 /nfs/dbraw/zinc/19/75/40/1064197540.db2.gz VXEFEJDDMMXBTQ-QTYPKTMWSA-N 1 1 459.660 3.278 20 0 JGADMO COc1ccc(Br)cc1-c1ncc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)s1 ZINC001298328119 1064203550 /nfs/dbraw/zinc/20/35/50/1064203550.db2.gz NFQMFANBVSHMBD-AWEZNQCLSA-N 1 1 454.390 3.158 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)C1 ZINC001298349226 1064213447 /nfs/dbraw/zinc/21/34/47/1064213447.db2.gz BITHMWUUTZVYRS-FCHUYYIVSA-N 1 1 468.646 3.045 20 0 JGADMO CN(Cc1ccccn1)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298376136 1064224583 /nfs/dbraw/zinc/22/45/83/1064224583.db2.gz YSDHPWLFODWYAL-UHFFFAOYSA-N 1 1 454.550 3.138 20 0 JGADMO CN(Cc1ccccn1)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001298376136 1064224591 /nfs/dbraw/zinc/22/45/91/1064224591.db2.gz YSDHPWLFODWYAL-UHFFFAOYSA-N 1 1 454.550 3.138 20 0 JGADMO CN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298391657 1064230399 /nfs/dbraw/zinc/23/03/99/1064230399.db2.gz XENCWGZDBXHHRA-UHFFFAOYSA-N 1 1 474.656 3.078 20 0 JGADMO CN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOCC1(C)C ZINC001298391657 1064230406 /nfs/dbraw/zinc/23/04/06/1064230406.db2.gz XENCWGZDBXHHRA-UHFFFAOYSA-N 1 1 474.656 3.078 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(C2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298398907 1064233902 /nfs/dbraw/zinc/23/39/02/1064233902.db2.gz AILTYKFTGBYYEK-UHFFFAOYSA-N 1 1 469.556 3.435 20 0 JGADMO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(C2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298398907 1064233907 /nfs/dbraw/zinc/23/39/07/1064233907.db2.gz AILTYKFTGBYYEK-UHFFFAOYSA-N 1 1 469.556 3.435 20 0 JGADMO CN(Cc1cscn1)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[NH+]1CCOCC1 ZINC001298432821 1064249653 /nfs/dbraw/zinc/24/96/53/1064249653.db2.gz QHLRREOFRPMDCU-UHFFFAOYSA-N 1 1 464.542 3.362 20 0 JGADMO CN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298439648 1064252318 /nfs/dbraw/zinc/25/23/18/1064252318.db2.gz HOKLCFIJUWIBMS-UHFFFAOYSA-N 1 1 459.620 3.033 20 0 JGADMO CN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298439648 1064252324 /nfs/dbraw/zinc/25/23/24/1064252324.db2.gz HOKLCFIJUWIBMS-UHFFFAOYSA-N 1 1 459.620 3.033 20 0 JGADMO CN(C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298564470 1064332256 /nfs/dbraw/zinc/33/22/56/1064332256.db2.gz JOJVYKSKPDTCIX-NRFANRHFSA-N 1 1 484.645 3.361 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCCCO2)n1CC(=O)NCC(F)(F)F ZINC001298565271 1064334574 /nfs/dbraw/zinc/33/45/74/1064334574.db2.gz BINDLXMCQQTOET-VQTJNVASSA-N 1 1 494.562 3.157 20 0 JGADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC(=O)NCC(F)(F)F ZINC001298567647 1064339734 /nfs/dbraw/zinc/33/97/34/1064339734.db2.gz MJLQEWRVZVSKNJ-SFHVURJKSA-N 1 1 466.552 3.212 20 0 JGADMO CN(C[C@H]1CCOC1)c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001298572227 1064346935 /nfs/dbraw/zinc/34/69/35/1064346935.db2.gz XEENWUDNUIGQOV-MJGOQNOKSA-N 1 1 466.001 3.447 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001298591605 1064364868 /nfs/dbraw/zinc/36/48/68/1064364868.db2.gz HUVFTGVREUZYOL-HXUWFJFHSA-N 1 1 494.562 3.194 20 0 JGADMO CN(CCC(F)(F)F)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[NH+]1CCOCC1 ZINC001298600336 1064374367 /nfs/dbraw/zinc/37/43/67/1064374367.db2.gz AOYRZNZQNRYTAR-UHFFFAOYSA-N 1 1 450.509 3.461 20 0 JGADMO CN(CCc1nccs1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CC=CCC1 ZINC001298631529 1064406108 /nfs/dbraw/zinc/40/61/08/1064406108.db2.gz UHRMFIKQTFTWCG-UHFFFAOYSA-N 1 1 476.448 3.443 20 0 JGADMO CN(CCc1nccs1)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001298640249 1064414548 /nfs/dbraw/zinc/41/45/48/1064414548.db2.gz WLYQVIHATAUFGJ-IBGZPJMESA-N 1 1 488.061 3.492 20 0 JGADMO CN(CCc1nccs1)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001298640251 1064414585 /nfs/dbraw/zinc/41/45/85/1064414585.db2.gz WLYQVIHATAUFGJ-LJQANCHMSA-N 1 1 488.061 3.492 20 0 JGADMO CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC001298642085 1064415413 /nfs/dbraw/zinc/41/54/13/1064415413.db2.gz WAFUWXYCMQSBGN-GOSISDBHSA-N 1 1 458.580 3.409 20 0 JGADMO C[N@@H+](CCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC001298661400 1064437679 /nfs/dbraw/zinc/43/76/79/1064437679.db2.gz CDTQLDZCMWMBLY-UHFFFAOYSA-N 1 1 495.093 3.335 20 0 JGADMO Cn1cc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC[N@@H+](C)C2CCCCC2)cn1 ZINC001298669772 1064451771 /nfs/dbraw/zinc/45/17/71/1064451771.db2.gz MJHPPUJNTWGLQZ-OAQYLSRUSA-N 1 1 484.693 3.464 20 0 JGADMO CN(CCCn1c(C2CCCC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001298672257 1064456121 /nfs/dbraw/zinc/45/61/21/1064456121.db2.gz RUPDBMRPJVWNQM-HXUWFJFHSA-N 1 1 476.666 3.351 20 0 JGADMO C[N@@H+](CCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Cc1ccccc1 ZINC001298672534 1064457312 /nfs/dbraw/zinc/45/73/12/1064457312.db2.gz UUROIISVTILROE-XZOQPEGZSA-N 1 1 482.673 3.435 20 0 JGADMO C[N@@H+](CCCn1c(Cc2cccnc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298673972 1064458960 /nfs/dbraw/zinc/45/89/60/1064458960.db2.gz FWQXHQYZWHWWHQ-QHCPKHFHSA-N 1 1 488.702 3.322 20 0 JGADMO CN(CCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)CC(F)(F)F ZINC001298674163 1064459113 /nfs/dbraw/zinc/45/91/13/1064459113.db2.gz KDOMJCCFQOTRPK-HSZRJFAPSA-N 1 1 498.569 3.193 20 0 JGADMO C[N@@H+](CCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1C(C)(C)C)C1CCCCC1 ZINC001298680349 1064471143 /nfs/dbraw/zinc/47/11/43/1064471143.db2.gz VFOJHHKQAGRLKP-UHFFFAOYSA-N 1 1 487.737 3.365 20 0 JGADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(F)(F)C1 ZINC001298684193 1064479270 /nfs/dbraw/zinc/47/92/70/1064479270.db2.gz TUUNZPUDGHHMGP-GOSISDBHSA-N 1 1 486.608 3.254 20 0 JGADMO C[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)Cc1ccccc1 ZINC001298697199 1064498324 /nfs/dbraw/zinc/49/83/24/1064498324.db2.gz BVMMOHKVBBSAGL-FQEVSTJZSA-N 1 1 494.562 3.194 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298704115 1064506240 /nfs/dbraw/zinc/50/62/40/1064506240.db2.gz CYUIEFJYMUYQQQ-SFHVURJKSA-N 1 1 466.051 3.486 20 0 JGADMO CN(CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001298704712 1064508451 /nfs/dbraw/zinc/50/84/51/1064508451.db2.gz XBLWHZKDVWJOSN-IBGZPJMESA-N 1 1 461.536 3.478 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCC(CNS(C)(=O)=O)CC1)C1CCCC1 ZINC001298704986 1064509426 /nfs/dbraw/zinc/50/94/26/1064509426.db2.gz PVHZRBVJJXKERR-UHFFFAOYSA-N 1 1 495.093 3.239 20 0 JGADMO C[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C1CCCCC1 ZINC001298705750 1064510921 /nfs/dbraw/zinc/51/09/21/1064510921.db2.gz YWWUIXLWQZYRJG-UHFFFAOYSA-N 1 1 453.635 3.299 20 0 JGADMO C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC001298706307 1064512445 /nfs/dbraw/zinc/51/24/45/1064512445.db2.gz SDQJZUIALFURPS-GOSISDBHSA-N 1 1 458.603 3.370 20 0 JGADMO C[N@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298708733 1064514534 /nfs/dbraw/zinc/51/45/34/1064514534.db2.gz NTCQVBKWARYJRC-FGZHOGPDSA-N 1 1 475.659 3.055 20 0 JGADMO C[N@@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298708733 1064514547 /nfs/dbraw/zinc/51/45/47/1064514547.db2.gz NTCQVBKWARYJRC-FGZHOGPDSA-N 1 1 475.659 3.055 20 0 JGADMO CN(CCc1cnccn1)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298710445 1064516440 /nfs/dbraw/zinc/51/64/40/1064516440.db2.gz ZNXKWDRNGAQQET-QFIPXVFZSA-N 1 1 453.566 3.260 20 0 JGADMO C[N@@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298711790 1064517802 /nfs/dbraw/zinc/51/78/02/1064517802.db2.gz CWDOUNAGCOXZQA-IBGZPJMESA-N 1 1 495.640 3.425 20 0 JGADMO C[N@@H+](CCn1c(CC2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C1CCCCC1 ZINC001298713557 1064521778 /nfs/dbraw/zinc/52/17/78/1064521778.db2.gz ZSUCMVJNFMXBSR-UHFFFAOYSA-N 1 1 470.584 3.390 20 0 JGADMO C[N@@H+](CCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1C(C)(C)C)C1CCCC1 ZINC001298719296 1064529386 /nfs/dbraw/zinc/52/93/86/1064529386.db2.gz IUZQYLYEFXOTLB-UHFFFAOYSA-N 1 1 486.636 3.317 20 0 JGADMO C[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC001298719976 1064530442 /nfs/dbraw/zinc/53/04/42/1064530442.db2.gz KUIYVQQVQXXMSM-CEMLEFRQSA-N 1 1 486.636 3.170 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001298727274 1064535951 /nfs/dbraw/zinc/53/59/51/1064535951.db2.gz DNMMPWRXWNQBFC-DEOSSOPVSA-N 1 1 473.021 3.381 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001298727274 1064535964 /nfs/dbraw/zinc/53/59/64/1064535964.db2.gz DNMMPWRXWNQBFC-DEOSSOPVSA-N 1 1 473.021 3.381 20 0 JGADMO Cn1cccc1-c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CCOC(C)(C)C ZINC001298727966 1064538670 /nfs/dbraw/zinc/53/86/70/1064538670.db2.gz KAQYNAVSUHIWQP-UHFFFAOYSA-N 1 1 479.673 3.353 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCC1 ZINC001298728308 1064539785 /nfs/dbraw/zinc/53/97/85/1064539785.db2.gz PVMAMOFHDXRQRV-UHFFFAOYSA-N 1 1 484.464 3.231 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCC1 ZINC001298728308 1064539800 /nfs/dbraw/zinc/53/98/00/1064539800.db2.gz PVMAMOFHDXRQRV-UHFFFAOYSA-N 1 1 484.464 3.231 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001298728469 1064541095 /nfs/dbraw/zinc/54/10/95/1064541095.db2.gz UKJAZGYDMZEGJY-UHFFFAOYSA-N 1 1 494.562 3.128 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001298728469 1064541103 /nfs/dbraw/zinc/54/11/03/1064541103.db2.gz UKJAZGYDMZEGJY-UHFFFAOYSA-N 1 1 494.562 3.128 20 0 JGADMO C[N@@H+](CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)CC1)Cc1ccccc1 ZINC001298728536 1064541595 /nfs/dbraw/zinc/54/15/95/1064541595.db2.gz VIQGPQHAJHLPQT-OAQYLSRUSA-N 1 1 476.616 3.254 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001298730122 1064544752 /nfs/dbraw/zinc/54/47/52/1064544752.db2.gz RXLKGLLUBGZJMI-SQJMNOBHSA-N 1 1 475.609 3.114 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001298730122 1064544768 /nfs/dbraw/zinc/54/47/68/1064544768.db2.gz RXLKGLLUBGZJMI-SQJMNOBHSA-N 1 1 475.609 3.114 20 0 JGADMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CCCN1CCCCCC1=O ZINC001298732602 1064547767 /nfs/dbraw/zinc/54/77/67/1064547767.db2.gz BRQUIMURPBBPQH-UHFFFAOYSA-N 1 1 474.694 3.351 20 0 JGADMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CCCN1CCCCCC1=O ZINC001298732602 1064547773 /nfs/dbraw/zinc/54/77/73/1064547773.db2.gz BRQUIMURPBBPQH-UHFFFAOYSA-N 1 1 474.694 3.351 20 0 JGADMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C1(c2ccccc2Cl)CCC1 ZINC001298756637 1064566229 /nfs/dbraw/zinc/56/62/29/1064566229.db2.gz ROQHYZYPVGTMLQ-UHFFFAOYSA-N 1 1 453.970 3.448 20 0 JGADMO CN(OC1CCCC1)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001298790271 1064591360 /nfs/dbraw/zinc/59/13/60/1064591360.db2.gz OKFMQFDHNVABJB-UHFFFAOYSA-N 1 1 481.439 3.467 20 0 JGADMO CN(OC1CCCC1)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOCC1(C)C ZINC001298790271 1064591376 /nfs/dbraw/zinc/59/13/76/1064591376.db2.gz OKFMQFDHNVABJB-UHFFFAOYSA-N 1 1 481.439 3.467 20 0 JGADMO Cn1cc(Br)cc1-c1nnc(N2CCSC(C)(C)C2)n1CCC[NH+]1CCOCC1 ZINC001298801168 1064598263 /nfs/dbraw/zinc/59/82/63/1064598263.db2.gz HAUXDUBYWVSMNM-UHFFFAOYSA-N 1 1 483.480 3.100 20 0 JGADMO C[NH+]1CCN([C@@H](C(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c2ccccc2)CC1 ZINC001298815671 1064617552 /nfs/dbraw/zinc/61/75/52/1064617552.db2.gz HYGCFAHBIFGVQY-GJZUVCINSA-N 1 1 456.631 3.225 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CC(F)(F)F)CC2)cn1 ZINC001298828141 1064632108 /nfs/dbraw/zinc/63/21/08/1064632108.db2.gz LVMFJFSNGYZLPB-UHFFFAOYSA-N 1 1 454.888 3.002 20 0 JGADMO Cn1cc(C[N@H+]2CCCN(c3nnc(-c4ccccc4Cl)n3CCOCC(F)F)CC2)cn1 ZINC001298828788 1064633969 /nfs/dbraw/zinc/63/39/69/1064633969.db2.gz WVTUGOIWRHNNPX-UHFFFAOYSA-N 1 1 479.963 3.326 20 0 JGADMO Cn1ccc(Nc2nnc(-c3ccc(Br)s3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001298843541 1064645949 /nfs/dbraw/zinc/64/59/49/1064645949.db2.gz WGNXJQROKJOVLZ-CQSZACIVSA-N 1 1 480.436 3.483 20 0 JGADMO COc1cccc([C@H]2[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847730 1064652234 /nfs/dbraw/zinc/65/22/34/1064652234.db2.gz WWFIJTUAGDORAH-ZCYQVOJMSA-N 1 1 450.583 3.123 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC=CCC2)C1 ZINC001298877077 1064681477 /nfs/dbraw/zinc/68/14/77/1064681477.db2.gz ASYUGUQSUZOILK-IBGZPJMESA-N 1 1 452.784 3.194 20 0 JGADMO CN(Cc1ccc(OC(F)F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298878241 1064683230 /nfs/dbraw/zinc/68/32/30/1064683230.db2.gz KXBUBXITSLRUOP-JOCHJYFZSA-N 1 1 478.931 3.298 20 0 JGADMO CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298879231 1064684040 /nfs/dbraw/zinc/68/40/40/1064684040.db2.gz NQDNISXOLYVHBT-KKSFZXQISA-N 1 1 454.402 3.324 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCCC2(C)C)C1 ZINC001298879285 1064685190 /nfs/dbraw/zinc/68/51/90/1064685190.db2.gz OOGFQGRYBQDMLF-HXUWFJFHSA-N 1 1 452.372 3.292 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001298879966 1064685801 /nfs/dbraw/zinc/68/58/01/1064685801.db2.gz TUJQISDIUYOEOH-LEWJYISDSA-N 1 1 498.491 3.477 20 0 JGADMO CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001298881197 1064686835 /nfs/dbraw/zinc/68/68/35/1064686835.db2.gz DAMUPVFQVJMHAM-OPAMFIHVSA-N 1 1 484.428 3.093 20 0 JGADMO CN(c1nnc(CC2CC2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@@H](CF)c1ccc(Br)cc1 ZINC001298881465 1064687530 /nfs/dbraw/zinc/68/75/30/1064687530.db2.gz FZQLQBXZMGQAKY-GHTZIAJQSA-N 1 1 466.399 3.207 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(Cc3ccccc3F)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001298881434 1064687644 /nfs/dbraw/zinc/68/76/44/1064687644.db2.gz FSWCUZCEUYOKFQ-OAQYLSRUSA-N 1 1 455.500 3.243 20 0 JGADMO C[N@H+]1CC[C@@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881992 1064688571 /nfs/dbraw/zinc/68/85/71/1064688571.db2.gz NWQCJQWCAWLVNN-QHCPKHFHSA-N 1 1 480.078 3.279 20 0 JGADMO C[N@H+]1CC[C@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881991 1064688712 /nfs/dbraw/zinc/68/87/12/1064688712.db2.gz NWQCJQWCAWLVNN-HSZRJFAPSA-N 1 1 480.078 3.279 20 0 JGADMO CN(CC1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001298882250 1064689309 /nfs/dbraw/zinc/68/93/09/1064689309.db2.gz SQNYZXHSXRXZPP-VWLOTQADSA-N 1 1 478.682 3.017 20 0 JGADMO CN(CC1CCCCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001298884785 1064690377 /nfs/dbraw/zinc/69/03/77/1064690377.db2.gz CQJIJHWWHXUCAZ-DFIYOIEZSA-N 1 1 476.666 3.132 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298884847 1064690438 /nfs/dbraw/zinc/69/04/38/1064690438.db2.gz FJVZRZLBZRHYME-KRWDZBQOSA-N 1 1 465.524 3.203 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298884848 1064691095 /nfs/dbraw/zinc/69/10/95/1064691095.db2.gz FJVZRZLBZRHYME-QGZVFWFLSA-N 1 1 465.524 3.203 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001298885091 1064691228 /nfs/dbraw/zinc/69/12/28/1064691228.db2.gz GHMOFPDQFLMRNX-GOSISDBHSA-N 1 1 481.066 3.127 20 0 JGADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(OC)c1 ZINC001298885493 1064692078 /nfs/dbraw/zinc/69/20/78/1064692078.db2.gz GBUMZBLAMDYELQ-OFAXGOBFSA-N 1 1 451.567 3.088 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001298885705 1064692220 /nfs/dbraw/zinc/69/22/20/1064692220.db2.gz AWKGKXOAJGOPRR-NRFANRHFSA-N 1 1 467.662 3.079 20 0 JGADMO C[C@@H]1[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@H+]1Cc1ccccc1 ZINC001298885977 1064692783 /nfs/dbraw/zinc/69/27/83/1064692783.db2.gz HQRVTAGCLTWCGG-GDBMZVCRSA-N 1 1 450.402 3.362 20 0 JGADMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001298886399 1064694955 /nfs/dbraw/zinc/69/49/55/1064694955.db2.gz GGFXCKWTCCEELA-LLBQEJIASA-N 1 1 460.667 3.019 20 0 JGADMO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCOC1 ZINC001298888700 1064698717 /nfs/dbraw/zinc/69/87/17/1064698717.db2.gz OIURIPVPPXEUOB-YRPNKDGESA-N 1 1 476.666 3.394 20 0 JGADMO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC001298888912 1064698894 /nfs/dbraw/zinc/69/88/94/1064698894.db2.gz PQCMMUMBSUMMHU-OYDLWJJNSA-N 1 1 457.640 3.467 20 0 JGADMO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCSC1 ZINC001298889967 1064699491 /nfs/dbraw/zinc/69/94/91/1064699491.db2.gz XNZLWVDWXZEEEA-AEFFLSMTSA-N 1 1 462.689 3.332 20 0 JGADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCOC2CCCCC2)CC1 ZINC001298890000 1064699552 /nfs/dbraw/zinc/69/95/52/1064699552.db2.gz YDEXWBNCTPYGKK-OAQYLSRUSA-N 1 1 460.667 3.058 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001298890168 1064700137 /nfs/dbraw/zinc/70/01/37/1064700137.db2.gz ZSQVUVLGKYVYNS-SFHVURJKSA-N 1 1 470.584 3.342 20 0 JGADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCC(F)(F)F)CC1 ZINC001298890042 1064700427 /nfs/dbraw/zinc/70/04/27/1064700427.db2.gz ZFPAVKGORWFBIZ-SFHVURJKSA-N 1 1 450.509 3.030 20 0 JGADMO C[N@H+]1CCN(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001298896871 1064703608 /nfs/dbraw/zinc/70/36/08/1064703608.db2.gz IRLVABCDDHSPSY-ROUUACIJSA-N 1 1 458.573 3.324 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001298915763 1064716089 /nfs/dbraw/zinc/71/60/89/1064716089.db2.gz HDYFANYXOSSMQP-UHFFFAOYSA-N 1 1 454.619 3.181 20 0 JGADMO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001298925284 1064724424 /nfs/dbraw/zinc/72/44/24/1064724424.db2.gz DYJSXMGGDCTGHO-FQEVSTJZSA-N 1 1 450.608 3.494 20 0 JGADMO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001298925284 1064724437 /nfs/dbraw/zinc/72/44/37/1064724437.db2.gz DYJSXMGGDCTGHO-FQEVSTJZSA-N 1 1 450.608 3.494 20 0 JGADMO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001298925293 1064724471 /nfs/dbraw/zinc/72/44/71/1064724471.db2.gz DYUJENFJMJMWQJ-TVZXLZGTSA-N 1 1 457.615 3.431 20 0 JGADMO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001298925287 1064724576 /nfs/dbraw/zinc/72/45/76/1064724576.db2.gz DYJSXMGGDCTGHO-HXUWFJFHSA-N 1 1 450.608 3.494 20 0 JGADMO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001298925287 1064724589 /nfs/dbraw/zinc/72/45/89/1064724589.db2.gz DYJSXMGGDCTGHO-HXUWFJFHSA-N 1 1 450.608 3.494 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001298927413 1064727089 /nfs/dbraw/zinc/72/70/89/1064727089.db2.gz XJGUZCOGIMIINC-JOCHJYFZSA-N 1 1 475.641 3.379 20 0 JGADMO CNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001298943607 1064736790 /nfs/dbraw/zinc/73/67/90/1064736790.db2.gz ZRQZPDJTUBOGAS-UHFFFAOYSA-N 1 1 482.654 3.033 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001298952744 1064743988 /nfs/dbraw/zinc/74/39/88/1064743988.db2.gz GDEAAIYHHMVDPT-AQNXPRMDSA-N 1 1 474.625 3.496 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001298964412 1064751476 /nfs/dbraw/zinc/75/14/76/1064751476.db2.gz BJJNAWFHVLRBCO-VQIMIIECSA-N 1 1 475.037 3.442 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001298967016 1064756977 /nfs/dbraw/zinc/75/69/77/1064756977.db2.gz OYKAFAXNIOUASX-ZWKOTPCHSA-N 1 1 462.042 3.180 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001298967405 1064757922 /nfs/dbraw/zinc/75/79/22/1064757922.db2.gz QPPJEIBNYOHIOM-MOPGFXCFSA-N 1 1 456.635 3.283 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001298973563 1064763672 /nfs/dbraw/zinc/76/36/72/1064763672.db2.gz ZLZZRCAISNYXEK-QHAWAJNXSA-N 1 1 498.672 3.293 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccccn2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001298988003 1064771328 /nfs/dbraw/zinc/77/13/28/1064771328.db2.gz CJQVLLHMOWXIAS-LAUBAEHRSA-N 1 1 470.021 3.039 20 0 JGADMO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001298988004 1064771548 /nfs/dbraw/zinc/77/15/48/1064771548.db2.gz CJQVLLHMOWXIAS-UTKZUKDTSA-N 1 1 470.021 3.039 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001299002153 1064781062 /nfs/dbraw/zinc/78/10/62/1064781062.db2.gz MUELPLMJOCWCQD-FCHUYYIVSA-N 1 1 470.662 3.413 20 0 JGADMO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001299002160 1064781129 /nfs/dbraw/zinc/78/11/29/1064781129.db2.gz MVFVXIQZCZTFEP-OALUTQOASA-N 1 1 467.643 3.471 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cc[nH+]c2C)C1 ZINC001299003965 1064784295 /nfs/dbraw/zinc/78/42/95/1064784295.db2.gz BXAMJTXLLJBCDA-QFIPXVFZSA-N 1 1 486.418 3.265 20 0 JGADMO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299005524 1064788060 /nfs/dbraw/zinc/78/80/60/1064788060.db2.gz JLJXATAVQNUUCV-SBUREZEXSA-N 1 1 489.462 3.402 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001299008462 1064792958 /nfs/dbraw/zinc/79/29/58/1064792958.db2.gz ZZPRQSTZHDIMBD-NBGIEHNGSA-N 1 1 454.619 3.037 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001299008459 1064793125 /nfs/dbraw/zinc/79/31/25/1064793125.db2.gz ZZPRQSTZHDIMBD-CJFMBICVSA-N 1 1 454.619 3.037 20 0 JGADMO CC[N@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)[C@H](C)C1 ZINC001299010448 1064794164 /nfs/dbraw/zinc/79/41/64/1064794164.db2.gz UQBYKSSFGXKHJY-NLWGTHIKSA-N 1 1 451.633 3.109 20 0 JGADMO CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001299030853 1064817486 /nfs/dbraw/zinc/81/74/86/1064817486.db2.gz VOWNDHJWQAFANR-QFQXNSOFSA-N 1 1 452.647 3.494 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299075968 1064881422 /nfs/dbraw/zinc/88/14/22/1064881422.db2.gz WYYOIUBEXFNVGH-WSTZPKSXSA-N 1 1 474.053 3.324 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299076104 1064882581 /nfs/dbraw/zinc/88/25/81/1064882581.db2.gz XVZBAPMMISKLKH-ZWKOTPCHSA-N 1 1 489.462 3.402 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001299084436 1064887980 /nfs/dbraw/zinc/88/79/80/1064887980.db2.gz AXYZEFJUXNDTKT-UYAOXDASSA-N 1 1 473.691 3.108 20 0 JGADMO CNC(=O)[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001299084434 1064888102 /nfs/dbraw/zinc/88/81/02/1064888102.db2.gz AXYZEFJUXNDTKT-ICSRJNTNSA-N 1 1 473.691 3.108 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001299091651 1064897582 /nfs/dbraw/zinc/89/75/82/1064897582.db2.gz WQOFJPFYLHGOJV-NFBKMPQASA-N 1 1 452.647 3.494 20 0 JGADMO CNC(=O)[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001299098947 1064904013 /nfs/dbraw/zinc/90/40/13/1064904013.db2.gz VYGLYOOUEGGYIX-IRLDBZIGSA-N 1 1 468.646 3.248 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001299102912 1064912732 /nfs/dbraw/zinc/91/27/32/1064912732.db2.gz QTSVZXFHKPTEFF-MRXNPFEDSA-N 1 1 492.466 3.263 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001299110059 1064918687 /nfs/dbraw/zinc/91/86/87/1064918687.db2.gz IKARIBLJBJRFHA-INIZCTEOSA-N 1 1 489.462 3.461 20 0 JGADMO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299111649 1064922092 /nfs/dbraw/zinc/92/20/92/1064922092.db2.gz XGZRNRMRJBSYLV-UHFFFAOYSA-N 1 1 450.990 3.430 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001299117696 1064924485 /nfs/dbraw/zinc/92/44/85/1064924485.db2.gz BYESDOKXVQCQPD-NRFANRHFSA-N 1 1 474.600 3.230 20 0 JGADMO CNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001299119125 1064927853 /nfs/dbraw/zinc/92/78/53/1064927853.db2.gz WADTZKPOYJFLRA-NRFANRHFSA-N 1 1 475.641 3.137 20 0 JGADMO CNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001299125040 1064932894 /nfs/dbraw/zinc/93/28/94/1064932894.db2.gz UVPBLSNUGXKQBG-NRFANRHFSA-N 1 1 498.672 3.196 20 0 JGADMO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001299130923 1064938608 /nfs/dbraw/zinc/93/86/08/1064938608.db2.gz MMRVIQCOOZRBJZ-ZWKOTPCHSA-N 1 1 459.587 3.427 20 0 JGADMO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001299133426 1064940900 /nfs/dbraw/zinc/94/09/00/1064940900.db2.gz HKAIQXHFAFRZLB-OXJNMPFZSA-N 1 1 495.455 3.468 20 0 JGADMO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001299134380 1064942136 /nfs/dbraw/zinc/94/21/36/1064942136.db2.gz OWCIXAQAFHKVEI-OAQYLSRUSA-N 1 1 475.037 3.204 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001299752628 1064952783 /nfs/dbraw/zinc/95/27/83/1064952783.db2.gz WCEGVIFHGLDPFE-WMZHIEFXSA-N 1 1 463.026 3.236 20 0 JGADMO CO[C@]1(C)CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299768582 1064965936 /nfs/dbraw/zinc/96/59/36/1064965936.db2.gz PZMDFANLFZXVIW-JYFHCDHNSA-N 1 1 471.646 3.262 20 0 JGADMO CO[C@@]1(C)CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001299768583 1064965991 /nfs/dbraw/zinc/96/59/91/1064965991.db2.gz PZMDFANLFZXVIW-OZXSUGGESA-N 1 1 471.646 3.262 20 0 JGADMO COC1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001299775506 1064976833 /nfs/dbraw/zinc/97/68/33/1064976833.db2.gz QQEFTCDTNNANSY-SFHVURJKSA-N 1 1 477.053 3.323 20 0 JGADMO COC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CCC(C)CC1 ZINC001299809877 1065005145 /nfs/dbraw/zinc/00/51/45/1065005145.db2.gz SRXJZRORCRZZFG-CVCZCXRASA-N 1 1 495.734 3.332 20 0 JGADMO COc1cc(C)cc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299831027 1065023617 /nfs/dbraw/zinc/02/36/17/1065023617.db2.gz XJAGOGBRMDCSJC-SZPZYZBQSA-N 1 1 481.645 3.050 20 0 JGADMO COc1cc(C)cc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299831027 1065023631 /nfs/dbraw/zinc/02/36/31/1065023631.db2.gz XJAGOGBRMDCSJC-SZPZYZBQSA-N 1 1 481.645 3.050 20 0 JGADMO COc1cc(C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001299833459 1065025182 /nfs/dbraw/zinc/02/51/82/1065025182.db2.gz AQWOPAKYVQYXSM-QFIPXVFZSA-N 1 1 489.686 3.102 20 0 JGADMO COc1cc(-c2nnc(N(C)Cc3cnn(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)ccc1OC(C)C ZINC001299837290 1065030696 /nfs/dbraw/zinc/03/06/96/1065030696.db2.gz OVSZLAZQJMZAKV-IBGZPJMESA-N 1 1 497.644 3.140 20 0 JGADMO COc1cc(-c2nnc(N(C)Cc3cnn(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)ccc1OC(C)C ZINC001299837290 1065030705 /nfs/dbraw/zinc/03/07/05/1065030705.db2.gz OVSZLAZQJMZAKV-IBGZPJMESA-N 1 1 497.644 3.140 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@H]3CCOC3)n2CC[N@@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299840926 1065036046 /nfs/dbraw/zinc/03/60/46/1065036046.db2.gz DYKWRWDKYSBISL-HXUWFJFHSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(-c2nnc(N(C)C[C@H]3CCOC3)n2CC[N@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299840926 1065036060 /nfs/dbraw/zinc/03/60/60/1065036060.db2.gz DYKWRWDKYSBISL-HXUWFJFHSA-N 1 1 487.645 3.324 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCO2)ccc1OC(C)C ZINC001299841544 1065038437 /nfs/dbraw/zinc/03/84/37/1065038437.db2.gz XGYOLMNRGMLKGC-RZUBCFFCSA-N 1 1 487.645 3.465 20 0 JGADMO COc1cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCO2)ccc1OC(C)C ZINC001299841544 1065038450 /nfs/dbraw/zinc/03/84/50/1065038450.db2.gz XGYOLMNRGMLKGC-RZUBCFFCSA-N 1 1 487.645 3.465 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299842641 1065039336 /nfs/dbraw/zinc/03/93/36/1065039336.db2.gz BGRDQHAAPPTEHB-OKZBNKHCSA-N 1 1 459.591 3.069 20 0 JGADMO COc1cc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC001299843297 1065040290 /nfs/dbraw/zinc/04/02/90/1065040290.db2.gz IOEWHDOEEYHCHE-GUDVDZBRSA-N 1 1 473.618 3.174 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC[N@@H+]2CC=CCC2)cc(OC)c1OC ZINC001299843256 1065040378 /nfs/dbraw/zinc/04/03/78/1065040378.db2.gz IBYJGHHNNBFHTP-OAQYLSRUSA-N 1 1 471.602 3.094 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CC(F)(F)F)ccc1OC(C)C ZINC001299843580 1065041095 /nfs/dbraw/zinc/04/10/95/1065041095.db2.gz DZTSELBADUJWJC-AEFFLSMTSA-N 1 1 483.535 3.460 20 0 JGADMO COc1cc(-c2nnc(N3CC=CCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc(OC)c1OC ZINC001299846912 1065047910 /nfs/dbraw/zinc/04/79/10/1065047910.db2.gz PJQGPVQOXMVVBK-LJQANCHMSA-N 1 1 471.602 3.238 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc(OC)c1OC ZINC001299847830 1065049816 /nfs/dbraw/zinc/04/98/16/1065049816.db2.gz FOJFIBWMDYQFBE-GSHUGGBRSA-N 1 1 473.618 3.315 20 0 JGADMO C[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)[C@H](c2ccccc2)C1 ZINC001299849655 1065051838 /nfs/dbraw/zinc/05/18/38/1065051838.db2.gz MQDLRNKLSYSNDE-QMMLZNLJSA-N 1 1 454.958 3.007 20 0 JGADMO COc1cc(-c2nnc(N3CCCC[C@H](C)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc(OC)c1OC ZINC001299855184 1065063404 /nfs/dbraw/zinc/06/34/04/1065063404.db2.gz SDKMVMQPGVTXBV-PZJWPPBQSA-N 1 1 487.645 3.444 20 0 JGADMO COc1cc(-c2nnc(N3CCOCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC(C)C ZINC001299859556 1065072797 /nfs/dbraw/zinc/07/27/97/1065072797.db2.gz FXMBFMSNFAVOBI-BGYRXZFFSA-N 1 1 487.645 3.465 20 0 JGADMO COc1cc(-c2nnc(N3CCOC[C@@H]3C)n2CCC[N@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC001299859624 1065073248 /nfs/dbraw/zinc/07/32/48/1065073248.db2.gz GTPSHGKZOVOBLU-MOPGFXCFSA-N 1 1 473.618 3.461 20 0 JGADMO COc1cc(-c2nnc(N3CCOC[C@H]3C)n2CCC[N@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC001299859628 1065073422 /nfs/dbraw/zinc/07/34/22/1065073422.db2.gz GTPSHGKZOVOBLU-RTBURBONSA-N 1 1 473.618 3.461 20 0 JGADMO COc1cc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc(OC)c1OC ZINC001299861173 1065077058 /nfs/dbraw/zinc/07/70/58/1065077058.db2.gz BZBISZHTPUPGLW-HBFSDRIKSA-N 1 1 491.608 3.266 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](OC)C3)n2CC[N@@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299861391 1065077245 /nfs/dbraw/zinc/07/72/45/1065077245.db2.gz GRDAPCGODIPCBP-HXUWFJFHSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(-c2nnc(N3CC[C@@H](OC)C3)n2CC[N@H+]2CCOCC2(C)C)ccc1OC(C)C ZINC001299861391 1065077254 /nfs/dbraw/zinc/07/72/54/1065077254.db2.gz GRDAPCGODIPCBP-HXUWFJFHSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(CN(C)c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc(OC)c1 ZINC001299869233 1065086533 /nfs/dbraw/zinc/08/65/33/1065086533.db2.gz BSWVBIPTNAABLD-JOCHJYFZSA-N 1 1 486.661 3.172 20 0 JGADMO COc1cc(CN(C)c2nnc(Cc3cccnc3)n2CC[N@H+]2CCC[C@@H]2C)cc(OC)c1 ZINC001299877474 1065096583 /nfs/dbraw/zinc/09/65/83/1065096583.db2.gz ZYMLMIQJMWJRPC-IBGZPJMESA-N 1 1 450.587 3.402 20 0 JGADMO COc1cc(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc(Cl)c1OC ZINC001299879661 1065099680 /nfs/dbraw/zinc/09/96/80/1065099680.db2.gz YQUNLBRUCYSNMG-APWZRJJASA-N 1 1 464.010 3.277 20 0 JGADMO COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)ccc1Cl ZINC001299888400 1065113789 /nfs/dbraw/zinc/11/37/89/1065113789.db2.gz XCLVZWBEAGDGGW-SFHVURJKSA-N 1 1 496.077 3.201 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC(N)=O)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001299892497 1065121219 /nfs/dbraw/zinc/12/12/19/1065121219.db2.gz JFUDYRFOMIOSII-MRXNPFEDSA-N 1 1 463.026 3.429 20 0 JGADMO COc1cc(C[NH+]2CCN(c3nnc(C(C)C)n3Cc3ccc(OC)nc3OC)CC2)cc(OC)c1 ZINC001299893504 1065123305 /nfs/dbraw/zinc/12/33/05/1065123305.db2.gz VLIYLHZPNCWVGT-UHFFFAOYSA-N 1 1 496.612 3.201 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001299896122 1065129195 /nfs/dbraw/zinc/12/91/95/1065129195.db2.gz RBIHHYDHSQARSZ-UYAOXDASSA-N 1 1 478.037 3.437 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N(C)CCNC(=O)C(C)C)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001299898891 1065133913 /nfs/dbraw/zinc/13/39/13/1065133913.db2.gz VFSIYODPJWIITF-KRWDZBQOSA-N 1 1 486.020 3.275 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(F)(F)F ZINC001299901079 1065137157 /nfs/dbraw/zinc/13/71/57/1065137157.db2.gz QNAHTLUYEPFYJQ-XJKSGUPXSA-N 1 1 459.900 3.326 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CC(C)(OC)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299901305 1065137223 /nfs/dbraw/zinc/13/72/23/1065137223.db2.gz QXXSPQHBIHWGHB-CALCHBBNSA-N 1 1 464.010 3.332 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@@H+](C)C(C)C ZINC001299902542 1065139251 /nfs/dbraw/zinc/13/92/51/1065139251.db2.gz BEMWBXWIPPZZJA-UHFFFAOYSA-N 1 1 463.026 3.429 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001299907209 1065148664 /nfs/dbraw/zinc/14/86/64/1065148664.db2.gz CVXDDEJLIQGKNB-KURKYZTESA-N 1 1 475.037 3.429 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001299907210 1065149256 /nfs/dbraw/zinc/14/92/56/1065149256.db2.gz CVXDDEJLIQGKNB-SQNIBIBYSA-N 1 1 475.037 3.429 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)OC ZINC001299908337 1065152106 /nfs/dbraw/zinc/15/21/06/1065152106.db2.gz RUYWHNJSDLUASY-UHFFFAOYSA-N 1 1 488.036 3.478 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001299908749 1065153606 /nfs/dbraw/zinc/15/36/06/1065153606.db2.gz BFEMUTRCUAJFNY-LJQANCHMSA-N 1 1 461.010 3.006 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001299910636 1065160059 /nfs/dbraw/zinc/16/00/59/1065160059.db2.gz CFQGAHCIHMIQME-QGZVFWFLSA-N 1 1 482.050 3.106 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299911605 1065160634 /nfs/dbraw/zinc/16/06/34/1065160634.db2.gz NBJORYAQRMMDTG-KURKYZTESA-N 1 1 464.010 3.332 20 0 JGADMO COc1cc(Cl)ccc1-c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001299913700 1065165349 /nfs/dbraw/zinc/16/53/49/1065165349.db2.gz VMQVSFFPBAIIPE-UGKGYDQZSA-N 1 1 466.051 3.252 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@](C)(O)c2ccco2)c1 ZINC001299932128 1065197671 /nfs/dbraw/zinc/19/76/71/1065197671.db2.gz LWFMVSAGGUILGC-SANMLTNESA-N 1 1 499.612 3.010 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@](C)(O)c2ccco2)c1 ZINC001299932128 1065197678 /nfs/dbraw/zinc/19/76/78/1065197678.db2.gz LWFMVSAGGUILGC-SANMLTNESA-N 1 1 499.612 3.010 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2occc2C)c1 ZINC001299932677 1065198547 /nfs/dbraw/zinc/19/85/47/1065198547.db2.gz TUUSQHRRHZDAEH-KDURUIRLSA-N 1 1 469.586 3.457 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2occc2C)c1 ZINC001299932677 1065198552 /nfs/dbraw/zinc/19/85/52/1065198552.db2.gz TUUSQHRRHZDAEH-KDURUIRLSA-N 1 1 469.586 3.457 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCSC(C)C)c1 ZINC001299934102 1065200662 /nfs/dbraw/zinc/20/06/62/1065200662.db2.gz PJJSQMKGDHJXKS-AVRDEDQJSA-N 1 1 475.659 3.261 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001299934654 1065201588 /nfs/dbraw/zinc/20/15/88/1065201588.db2.gz XDOUKLLHFDDYJU-MOPGFXCFSA-N 1 1 484.645 3.140 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001299936542 1065203691 /nfs/dbraw/zinc/20/36/91/1065203691.db2.gz OAMUDGJIIQQXHT-FPOVZHCZSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299937230 1065204777 /nfs/dbraw/zinc/20/47/77/1065204777.db2.gz RNGLHKWWQZSMBN-FQEVSTJZSA-N 1 1 457.619 3.434 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299937842 1065205771 /nfs/dbraw/zinc/20/57/71/1065205771.db2.gz WVMIYVGXKHGYIK-MHPIHPPYSA-N 1 1 473.618 3.075 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001299938206 1065207155 /nfs/dbraw/zinc/20/71/55/1065207155.db2.gz XJXGPCSPPIUBCF-SQNIBIBYSA-N 1 1 461.632 3.013 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001299938206 1065207159 /nfs/dbraw/zinc/20/71/59/1065207159.db2.gz XJXGPCSPPIUBCF-SQNIBIBYSA-N 1 1 461.632 3.013 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC(c4nc(C)no4)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001299939326 1065208687 /nfs/dbraw/zinc/20/86/87/1065208687.db2.gz YXUCHQRMLWFBOM-UHFFFAOYSA-N 1 1 469.590 3.378 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001299946283 1065220080 /nfs/dbraw/zinc/22/00/80/1065220080.db2.gz ZHACZFACYHFZRX-CLOONOSVSA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001299946283 1065220089 /nfs/dbraw/zinc/22/00/89/1065220089.db2.gz ZHACZFACYHFZRX-CLOONOSVSA-N 1 1 473.618 3.078 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001299946358 1065221024 /nfs/dbraw/zinc/22/10/24/1065221024.db2.gz BFVZZLUIBOWEPI-UHFFFAOYSA-N 1 1 472.634 3.188 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCNC(=O)C(C)C)c1 ZINC001299947033 1065222574 /nfs/dbraw/zinc/22/25/74/1065222574.db2.gz WOCTUUFCFWYZGX-UHFFFAOYSA-N 1 1 472.634 3.045 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2CCCNC(C)=O)c1 ZINC001299949311 1065223373 /nfs/dbraw/zinc/22/33/73/1065223373.db2.gz BEUHZOZPHXKWHW-SFHVURJKSA-N 1 1 498.653 3.433 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCNC(=O)C(C)C)c1 ZINC001299949957 1065225008 /nfs/dbraw/zinc/22/50/08/1065225008.db2.gz JQSAAWARILAOMJ-LJQANCHMSA-N 1 1 484.645 3.045 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001299950295 1065225493 /nfs/dbraw/zinc/22/54/93/1065225493.db2.gz MIAYIEVBVGJHDY-LEWJYISDSA-N 1 1 498.672 3.387 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001299951168 1065227609 /nfs/dbraw/zinc/22/76/09/1065227609.db2.gz QQJCRHXCPKDXOX-FPOVZHCZSA-N 1 1 487.645 3.203 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001299951545 1065229272 /nfs/dbraw/zinc/22/92/72/1065229272.db2.gz TVMQXCZMZRDKTA-GOSISDBHSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001299951545 1065229279 /nfs/dbraw/zinc/22/92/79/1065229279.db2.gz TVMQXCZMZRDKTA-GOSISDBHSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001299952168 1065230983 /nfs/dbraw/zinc/23/09/83/1065230983.db2.gz MFDDPULSGRBAOY-WOJBJXKFSA-N 1 1 484.645 3.140 20 0 JGADMO COc1cc(OC)cc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001299953012 1065233135 /nfs/dbraw/zinc/23/31/35/1065233135.db2.gz FSDCMXNNSRIBRR-ZRZAMGCNSA-N 1 1 473.618 3.077 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(-c3ccccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001299959159 1065238816 /nfs/dbraw/zinc/23/88/16/1065238816.db2.gz ZIOPRGZPFSFKOC-QFIPXVFZSA-N 1 1 466.586 3.482 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc(-c3ccccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001299959158 1065238894 /nfs/dbraw/zinc/23/88/94/1065238894.db2.gz ZIOPRGZPFSFKOC-JOCHJYFZSA-N 1 1 466.586 3.482 20 0 JGADMO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001299959677 1065240475 /nfs/dbraw/zinc/24/04/75/1065240475.db2.gz YCRQVOKMLLGCJM-OTPAQWSUSA-N 1 1 473.618 3.048 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCOCC2)c1 ZINC001299968728 1065253609 /nfs/dbraw/zinc/25/36/09/1065253609.db2.gz JAFPAIGYCZPTHX-CALCHBBNSA-N 1 1 494.434 3.052 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)OC)c1 ZINC001299969744 1065256518 /nfs/dbraw/zinc/25/65/18/1065256518.db2.gz XOEJBUCBTFPFRK-YESZJQIVSA-N 1 1 496.450 3.297 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)OC)c1 ZINC001299969744 1065256532 /nfs/dbraw/zinc/25/65/32/1065256532.db2.gz XOEJBUCBTFPFRK-YESZJQIVSA-N 1 1 496.450 3.297 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCCSC)c1 ZINC001299974220 1065264149 /nfs/dbraw/zinc/26/41/49/1065264149.db2.gz SOMIEWCBNKHRGQ-MRXNPFEDSA-N 1 1 496.475 3.380 20 0 JGADMO COc1ccc(Br)c(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCCSC)c1 ZINC001299974220 1065264155 /nfs/dbraw/zinc/26/41/55/1065264155.db2.gz SOMIEWCBNKHRGQ-MRXNPFEDSA-N 1 1 496.475 3.380 20 0 JGADMO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC001299978455 1065274942 /nfs/dbraw/zinc/27/49/42/1065274942.db2.gz AOUVISORUASSRB-ICSRJNTNSA-N 1 1 454.619 3.076 20 0 JGADMO COc1ccc([C@@H](C)N(C)c2nnc(-c3cnccn3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001299984460 1065286022 /nfs/dbraw/zinc/28/60/22/1065286022.db2.gz PIOBSPXRPOLVNB-HXUWFJFHSA-N 1 1 478.645 3.215 20 0 JGADMO COc1ccc([C@@H](C)CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001299985300 1065287022 /nfs/dbraw/zinc/28/70/22/1065287022.db2.gz VHXDZHDUPCSAEN-RBBKRZOGSA-N 1 1 489.686 3.303 20 0 JGADMO COc1ccc([C@@H](Cn2c(N3CCC(S(C)(=O)=O)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001299987389 1065289769 /nfs/dbraw/zinc/28/97/69/1065289769.db2.gz BRLCQZHKVICFSI-JOCHJYFZSA-N 1 1 489.686 3.435 20 0 JGADMO COc1ccc([C@H](Cn2c(N(C)[C@H]3CCS(=O)(=O)C3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001299988487 1065291996 /nfs/dbraw/zinc/29/19/96/1065291996.db2.gz OFOSKGUCPKBTAY-FPOVZHCZSA-N 1 1 475.659 3.045 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC001299990487 1065294014 /nfs/dbraw/zinc/29/40/14/1065294014.db2.gz IADWFICBZXQHNZ-RUZDIDTESA-N 1 1 453.587 3.343 20 0 JGADMO COc1ccc(C)cc1CCn1c(CC(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001299990610 1065294289 /nfs/dbraw/zinc/29/42/89/1065294289.db2.gz NDRQPUBGQXNJOB-VWLOTQADSA-N 1 1 498.716 3.268 20 0 JGADMO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCSC)CC1 ZINC001299991486 1065296695 /nfs/dbraw/zinc/29/66/95/1065296695.db2.gz WTZPABTZBMOOLJ-UHFFFAOYSA-N 1 1 453.616 3.127 20 0 JGADMO COc1ccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2CCn2cc[nH+]c2C)cc1 ZINC001299994598 1065301448 /nfs/dbraw/zinc/30/14/48/1065301448.db2.gz FFCURCWWSSOQPF-UHFFFAOYSA-N 1 1 451.575 3.042 20 0 JGADMO COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001299995604 1065303147 /nfs/dbraw/zinc/30/31/47/1065303147.db2.gz QUPWEJQMJSLNMJ-MOPGFXCFSA-N 1 1 477.675 3.334 20 0 JGADMO COc1ccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2CCCn2cc[nH+]c2C)cc1 ZINC001299995915 1065303913 /nfs/dbraw/zinc/30/39/13/1065303913.db2.gz UOANLJADNVVHLL-UHFFFAOYSA-N 1 1 465.602 3.432 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001299997094 1065307059 /nfs/dbraw/zinc/30/70/59/1065307059.db2.gz CKMJNAHEHWOPQS-LJQANCHMSA-N 1 1 472.634 3.044 20 0 JGADMO COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2ccoc2)c(OC)c1 ZINC001299997955 1065308991 /nfs/dbraw/zinc/30/89/91/1065308991.db2.gz VABHUGJKZVZZCR-UHFFFAOYSA-N 1 1 469.586 3.398 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001492198423 1065310547 /nfs/dbraw/zinc/31/05/47/1065310547.db2.gz BBHIEACSCREVLG-UHFFFAOYSA-N 1 1 452.578 3.307 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001492198423 1065310560 /nfs/dbraw/zinc/31/05/60/1065310560.db2.gz BBHIEACSCREVLG-UHFFFAOYSA-N 1 1 452.578 3.307 20 0 JGADMO Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(=O)n1C ZINC001492202758 1065316969 /nfs/dbraw/zinc/31/69/69/1065316969.db2.gz JEEYCFCEESDQHC-UHFFFAOYSA-N 1 1 482.604 3.362 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(C)ccc2F)cn1 ZINC001492208060 1065322048 /nfs/dbraw/zinc/32/20/48/1065322048.db2.gz JEAIMLVXYGWBQF-UHFFFAOYSA-N 1 1 476.560 3.438 20 0 JGADMO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492208051 1065322218 /nfs/dbraw/zinc/32/22/18/1065322218.db2.gz ISQNRSAIKFZJGC-RTBURBONSA-N 1 1 480.654 3.093 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(C)ccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001492218261 1065328596 /nfs/dbraw/zinc/32/85/96/1065328596.db2.gz YBLWETUEYWPQSJ-IBGZPJMESA-N 1 1 469.609 3.192 20 0 JGADMO Cc1ccc(N(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492224587 1065329314 /nfs/dbraw/zinc/32/93/14/1065329314.db2.gz PILIXWKLHBFSPF-BGYRXZFFSA-N 1 1 454.619 3.365 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(Cc4cccnc4)n3CCC[N@H+](C)C(C)C)CC2=O)cc1 ZINC001492232866 1065333598 /nfs/dbraw/zinc/33/35/98/1065333598.db2.gz OKTARRUJFZLMAC-UHFFFAOYSA-N 1 1 461.614 3.156 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@H+]3CCCO)CC2)cc1C ZINC001492233210 1065334335 /nfs/dbraw/zinc/33/43/35/1065334335.db2.gz YMYUDOAEZDYFPQ-DEOSSOPVSA-N 1 1 454.663 3.267 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)C3CCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492235149 1065335470 /nfs/dbraw/zinc/33/54/70/1065335470.db2.gz KATVWTRSMIKFRR-QFIPXVFZSA-N 1 1 481.645 3.079 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492250369 1065349733 /nfs/dbraw/zinc/34/97/33/1065349733.db2.gz MFWUYYMSQIUDPX-NQIIRXRSSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001492250714 1065350586 /nfs/dbraw/zinc/35/05/86/1065350586.db2.gz QAFPJQKRZMSDAS-CZTZKLFOSA-N 1 1 454.619 3.229 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC(=O)NC(C)C)cc1C ZINC001492251036 1065351830 /nfs/dbraw/zinc/35/18/30/1065351830.db2.gz VZSHBJXQMCIYIF-UHFFFAOYSA-N 1 1 483.661 3.228 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492253342 1065353425 /nfs/dbraw/zinc/35/34/25/1065353425.db2.gz DVNNSGKFPZEUGD-RBUKOAKNSA-N 1 1 454.619 3.352 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001492265949 1065359563 /nfs/dbraw/zinc/35/95/63/1065359563.db2.gz LDUWUUILZFBCJL-GHTZIAJQSA-N 1 1 454.619 3.494 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1C ZINC001492268142 1065364117 /nfs/dbraw/zinc/36/41/17/1065364117.db2.gz SVWOCDUXUOBZSZ-NQIIRXRSSA-N 1 1 495.653 3.179 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001492276761 1065371209 /nfs/dbraw/zinc/37/12/09/1065371209.db2.gz QWDGAPANGFIZRR-BVYCBKJFSA-N 1 1 468.646 3.475 20 0 JGADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)C2)nc1 ZINC001492280284 1065373166 /nfs/dbraw/zinc/37/31/66/1065373166.db2.gz FFDQQXMRPPCPTL-DHIUTWEWSA-N 1 1 497.688 3.392 20 0 JGADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001492281300 1065374497 /nfs/dbraw/zinc/37/44/97/1065374497.db2.gz QLJQGPSDERUEAL-IBGZPJMESA-N 1 1 450.591 3.172 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001492284335 1065377237 /nfs/dbraw/zinc/37/72/37/1065377237.db2.gz RYXPZJZPANVRHR-UHFFFAOYSA-N 1 1 498.031 3.488 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001492284335 1065377250 /nfs/dbraw/zinc/37/72/50/1065377250.db2.gz RYXPZJZPANVRHR-UHFFFAOYSA-N 1 1 498.031 3.488 20 0 JGADMO Cc1ccc(O[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001492287067 1065379937 /nfs/dbraw/zinc/37/99/37/1065379937.db2.gz AJBOBYLQSDGYDR-JOCHJYFZSA-N 1 1 498.672 3.085 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492238588 1065384073 /nfs/dbraw/zinc/38/40/73/1065384073.db2.gz UBGXIXREJXMQQM-UHFFFAOYSA-N 1 1 479.629 3.403 20 0 JGADMO Cc1ccc(OC2CCN(c3nnc(CN4CCCC4=O)n3CCC[N@H+](C)C(C)C)CC2)cc1 ZINC001492310622 1065389963 /nfs/dbraw/zinc/38/99/63/1065389963.db2.gz HDKDOLBQTOUYRK-UHFFFAOYSA-N 1 1 468.646 3.487 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CC(F)(F)CO2)cc1 ZINC001492319541 1065394711 /nfs/dbraw/zinc/39/47/11/1065394711.db2.gz CPVHYYUAEDLDGF-OAQYLSRUSA-N 1 1 493.599 3.384 20 0 JGADMO Cc1cc(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@H](C)C[NH+]2CCOCC2)no1 ZINC001492324726 1065397560 /nfs/dbraw/zinc/39/75/60/1065397560.db2.gz CZPPBZWCLNGABP-LJQANCHMSA-N 1 1 454.575 3.067 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001492326030 1065398207 /nfs/dbraw/zinc/39/82/07/1065398207.db2.gz VJQYXTVICAFQAK-HSZRJFAPSA-N 1 1 468.602 3.455 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001492339530 1065407545 /nfs/dbraw/zinc/40/75/45/1065407545.db2.gz OOCJKBIXNVYJMB-YADHBBJMSA-N 1 1 468.646 3.200 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001492391002 1065412902 /nfs/dbraw/zinc/41/29/02/1065412902.db2.gz JIPFCDXJTPEOLX-UHFFFAOYSA-N 1 1 468.627 3.074 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCCOC(F)F)cc1C ZINC001492352362 1065414652 /nfs/dbraw/zinc/41/46/52/1065414652.db2.gz LVKDAXSHVGHDFA-XMMPIXPASA-N 1 1 479.572 3.404 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492353741 1065416256 /nfs/dbraw/zinc/41/62/56/1065416256.db2.gz KOZNSQYKIYENAM-LEWJYISDSA-N 1 1 468.646 3.378 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCN2CCSCC2)cc1 ZINC001492360522 1065422311 /nfs/dbraw/zinc/42/23/11/1065422311.db2.gz VPOHBZAYSPMRDA-UHFFFAOYSA-N 1 1 458.676 3.181 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492371386 1065435103 /nfs/dbraw/zinc/43/51/03/1065435103.db2.gz PZZXKMHLRXRBNX-FGZHOGPDSA-N 1 1 468.646 3.378 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492371388 1065435142 /nfs/dbraw/zinc/43/51/42/1065435142.db2.gz PZZXKMHLRXRBNX-YADHBBJMSA-N 1 1 468.646 3.378 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001492376873 1065439838 /nfs/dbraw/zinc/43/98/38/1065439838.db2.gz FFCHXXKZZQCYEI-HSZRJFAPSA-N 1 1 489.686 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCO[C@H]2CCOC2)cc1 ZINC001492377431 1065441459 /nfs/dbraw/zinc/44/14/59/1065441459.db2.gz OXJNLYKEHMHBFM-QHCPKHFHSA-N 1 1 457.619 3.282 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCNC(=O)c2ccco2)cc1C ZINC001492377500 1065441499 /nfs/dbraw/zinc/44/14/99/1065441499.db2.gz RBKCGKYXRWNITM-UHFFFAOYSA-N 1 1 480.613 3.417 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1C ZINC001492377498 1065441520 /nfs/dbraw/zinc/44/15/20/1065441520.db2.gz QYLMWLGIUHPZLS-HSZRJFAPSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1C ZINC001492377498 1065441527 /nfs/dbraw/zinc/44/15/27/1065441527.db2.gz QYLMWLGIUHPZLS-HSZRJFAPSA-N 1 1 489.686 3.362 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001492378239 1065443023 /nfs/dbraw/zinc/44/30/23/1065443023.db2.gz KTRFDCWNKMYDMC-UHFFFAOYSA-N 1 1 489.686 3.443 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001492384160 1065450266 /nfs/dbraw/zinc/45/02/66/1065450266.db2.gz DPOIWJZEHMIHSA-YADHBBJMSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCNC(=O)C(C)C)cc1 ZINC001492384199 1065450325 /nfs/dbraw/zinc/45/03/25/1065450325.db2.gz DWWVVEABAQDXHO-NRFANRHFSA-N 1 1 468.646 3.248 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001492384152 1065450431 /nfs/dbraw/zinc/45/04/31/1065450431.db2.gz DPOIWJZEHMIHSA-FCHUYYIVSA-N 1 1 468.646 3.405 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001492384881 1065452121 /nfs/dbraw/zinc/45/21/21/1065452121.db2.gz LNDGKKWPBWOSFM-NRFANRHFSA-N 1 1 479.629 3.454 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC(=O)NC(C)C)cc1 ZINC001492385657 1065453817 /nfs/dbraw/zinc/45/38/17/1065453817.db2.gz UCQWJQYUKMLSJE-HXUWFJFHSA-N 1 1 454.619 3.001 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001492393122 1065465363 /nfs/dbraw/zinc/46/53/63/1065465363.db2.gz KYAHSPPPVSNDJP-IEBWSBKVSA-N 1 1 453.509 3.417 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001492393120 1065465426 /nfs/dbraw/zinc/46/54/26/1065465426.db2.gz KYAHSPPPVSNDJP-HKUYNNGSSA-N 1 1 453.509 3.417 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001492395424 1065467735 /nfs/dbraw/zinc/46/77/35/1065467735.db2.gz SHDDFEUYIIWNBK-FTJBHMTQSA-N 1 1 471.646 3.182 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCOC[C@@H]3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001492399810 1065468423 /nfs/dbraw/zinc/46/84/23/1065468423.db2.gz CUEIXPRRYRLMPQ-JTHBVZDNSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001492400993 1065469874 /nfs/dbraw/zinc/46/98/74/1065469874.db2.gz HDIFSFIRFMYTIK-HXUWFJFHSA-N 1 1 458.676 3.133 20 0 JGADMO Cc1ccc(OCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001492415422 1065477151 /nfs/dbraw/zinc/47/71/51/1065477151.db2.gz AUZLYPKKYAAWHS-HSZRJFAPSA-N 1 1 482.673 3.387 20 0 JGADMO Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001492421501 1065482095 /nfs/dbraw/zinc/48/20/95/1065482095.db2.gz QPQIDTPBSHRFCH-VXKWHMMOSA-N 1 1 489.686 3.124 20 0 JGADMO Cc1ccc(SCc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCC(C)(C)O)cc1 ZINC001492452616 1065503359 /nfs/dbraw/zinc/50/33/59/1065503359.db2.gz IKKMXMOSSJSZDT-CTNGQTDRSA-N 1 1 459.660 3.197 20 0 JGADMO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001492470525 1065520630 /nfs/dbraw/zinc/52/06/30/1065520630.db2.gz RDVDSNZWOVZCBM-RBUKOAKNSA-N 1 1 460.648 3.155 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)CC[C@@H]1C ZINC001300822878 1065550117 /nfs/dbraw/zinc/55/01/17/1065550117.db2.gz LEKIELQBDNFWMA-CEWLAPEOSA-N 1 1 487.649 3.459 20 0 JGADMO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@H+]2CCCO)CC[C@H]1C ZINC001300843338 1065582380 /nfs/dbraw/zinc/58/23/80/1065582380.db2.gz PZHARMXZBQEJLL-AOHZBQACSA-N 1 1 471.646 3.182 20 0 JGADMO CC(C)CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(Cl)cc1Cl ZINC001300873266 1065649299 /nfs/dbraw/zinc/64/92/99/1065649299.db2.gz KSPJAGBPVLYEHO-AWEZNQCLSA-N 1 1 450.432 3.389 20 0 JGADMO COCC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300886861 1065674570 /nfs/dbraw/zinc/67/45/70/1065674570.db2.gz MZXMGYREXYIHFU-SZPZYZBQSA-N 1 1 498.672 3.007 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001300905013 1065705286 /nfs/dbraw/zinc/70/52/86/1065705286.db2.gz ZRKKCKHUCDDNCF-LJQANCHMSA-N 1 1 480.613 3.098 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001300910265 1065707694 /nfs/dbraw/zinc/70/76/94/1065707694.db2.gz FBVLSBCRVZCFDC-JOCHJYFZSA-N 1 1 474.694 3.395 20 0 JGADMO COCC(=O)NC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001300910712 1065708968 /nfs/dbraw/zinc/70/89/68/1065708968.db2.gz BVYULJCTFMQZTI-QFIPXVFZSA-N 1 1 498.672 3.017 20 0 JGADMO COCC(C)(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001300925693 1065723404 /nfs/dbraw/zinc/72/34/04/1065723404.db2.gz NHTLNVLASUKQID-HXUWFJFHSA-N 1 1 481.707 3.088 20 0 JGADMO COCC(C)(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001300925508 1065723451 /nfs/dbraw/zinc/72/34/51/1065723451.db2.gz LRNZCEGDKZPBCU-FQEVSTJZSA-N 1 1 481.707 3.088 20 0 JGADMO COCC(C)(C)CCCn1c(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001300926383 1065724314 /nfs/dbraw/zinc/72/43/14/1065724314.db2.gz CJFMRCYNUMKADW-IRLDBZIGSA-N 1 1 476.710 3.407 20 0 JGADMO COCC(C)(C)CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001300927161 1065726071 /nfs/dbraw/zinc/72/60/71/1065726071.db2.gz QTUNQXDLVFOEOC-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC(C)(C)CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001300927161 1065726088 /nfs/dbraw/zinc/72/60/88/1065726088.db2.gz QTUNQXDLVFOEOC-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001300930957 1065731096 /nfs/dbraw/zinc/73/10/96/1065731096.db2.gz LEXJOSTVTKGOHL-UHFFFAOYSA-N 1 1 457.623 3.006 20 0 JGADMO COCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001300938313 1065740904 /nfs/dbraw/zinc/74/09/04/1065740904.db2.gz QLSVFFXUCYQPRF-UHFFFAOYSA-N 1 1 481.645 3.350 20 0 JGADMO COCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001300938313 1065740910 /nfs/dbraw/zinc/74/09/10/1065740910.db2.gz QLSVFFXUCYQPRF-UHFFFAOYSA-N 1 1 481.645 3.350 20 0 JGADMO COCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001300941644 1065743647 /nfs/dbraw/zinc/74/36/47/1065743647.db2.gz FKPJZGXOQGFSND-NRFANRHFSA-N 1 1 487.645 3.184 20 0 JGADMO COC[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001300959971 1065767959 /nfs/dbraw/zinc/76/79/59/1065767959.db2.gz ZDVJDXNDZIJLET-OAGGEKHMSA-N 1 1 484.464 3.209 20 0 JGADMO COC[C@@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300969345 1065778538 /nfs/dbraw/zinc/77/85/38/1065778538.db2.gz UBICQOURXZBMCR-SFHVURJKSA-N 1 1 467.618 3.433 20 0 JGADMO COC[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300978095 1065787777 /nfs/dbraw/zinc/78/77/77/1065787777.db2.gz BTLKQEPOQCJKJR-HXUWFJFHSA-N 1 1 453.635 3.356 20 0 JGADMO COC[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300979072 1065789297 /nfs/dbraw/zinc/78/92/97/1065789297.db2.gz UIXYQDRUSTYCLB-DEOSSOPVSA-N 1 1 497.732 3.236 20 0 JGADMO COC[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300979072 1065789307 /nfs/dbraw/zinc/78/93/07/1065789307.db2.gz UIXYQDRUSTYCLB-DEOSSOPVSA-N 1 1 497.732 3.236 20 0 JGADMO COC[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300993151 1065810542 /nfs/dbraw/zinc/81/05/42/1065810542.db2.gz YINUEUMLMOSMFG-NJDAHSKKSA-N 1 1 451.656 3.026 20 0 JGADMO COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)OC ZINC001301028316 1065866913 /nfs/dbraw/zinc/86/69/13/1065866913.db2.gz YJEZHVNVGGPRHN-QPPBQGQZSA-N 1 1 464.614 3.026 20 0 JGADMO COC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC ZINC001301028498 1065866948 /nfs/dbraw/zinc/86/69/48/1065866948.db2.gz ZTYZOBJLNSPOIE-FQEVSTJZSA-N 1 1 450.027 3.494 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001301045819 1065891824 /nfs/dbraw/zinc/89/18/24/1065891824.db2.gz SQCGVMAXUUURCE-LJQANCHMSA-N 1 1 498.441 3.487 20 0 JGADMO COC[C@@H](F)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301047310 1065894813 /nfs/dbraw/zinc/89/48/13/1065894813.db2.gz IBTFSGWHPQOZCK-RDJZCZTQSA-N 1 1 469.964 3.412 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001301050585 1065898759 /nfs/dbraw/zinc/89/87/59/1065898759.db2.gz YLOYDYDKEMRPFK-QGZVFWFLSA-N 1 1 469.989 3.139 20 0 JGADMO COC[C@H](F)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001301050585 1065898770 /nfs/dbraw/zinc/89/87/70/1065898770.db2.gz YLOYDYDKEMRPFK-QGZVFWFLSA-N 1 1 469.989 3.139 20 0 JGADMO COC[C@@H](F)Cn1c(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccc2)CCO3)nnc1C(C)(C)C ZINC001301083318 1065934342 /nfs/dbraw/zinc/93/43/42/1065934342.db2.gz USCAOFNRKJNFFK-OFVILXPXSA-N 1 1 459.610 3.432 20 0 JGADMO COC[C@@H](F)Cn1c(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)nnc1C(C)(C)C ZINC001301083318 1065934351 /nfs/dbraw/zinc/93/43/51/1065934351.db2.gz USCAOFNRKJNFFK-OFVILXPXSA-N 1 1 459.610 3.432 20 0 JGADMO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC001301104056 1065950472 /nfs/dbraw/zinc/95/04/72/1065950472.db2.gz AIQQOGPNFLYAPS-KCEHZKJRSA-N 1 1 456.608 3.325 20 0 JGADMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC001301104056 1065950486 /nfs/dbraw/zinc/95/04/86/1065950486.db2.gz AIQQOGPNFLYAPS-KCEHZKJRSA-N 1 1 456.608 3.325 20 0 JGADMO COCC1(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC001301106067 1065952457 /nfs/dbraw/zinc/95/24/57/1065952457.db2.gz OXQQAORNJJOBHQ-UHFFFAOYSA-N 1 1 460.648 3.007 20 0 JGADMO COCC1(Cn2c(-c3ccccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC001301131352 1065972133 /nfs/dbraw/zinc/97/21/33/1065972133.db2.gz JQAJRWLGPFMJKP-BGYRXZFFSA-N 1 1 475.609 3.073 20 0 JGADMO COCC1(Cn2c(-c3ccccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC001301131352 1065972149 /nfs/dbraw/zinc/97/21/49/1065972149.db2.gz JQAJRWLGPFMJKP-BGYRXZFFSA-N 1 1 475.609 3.073 20 0 JGADMO COCc1cc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1F ZINC001301152074 1065988371 /nfs/dbraw/zinc/98/83/71/1065988371.db2.gz GCRSLXJJUDCZQH-PGRDOPGGSA-N 1 1 459.610 3.357 20 0 JGADMO COCc1cccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001301171911 1066005758 /nfs/dbraw/zinc/00/57/58/1066005758.db2.gz GIOQIXWZDRTCBD-JOCHJYFZSA-N 1 1 457.619 3.261 20 0 JGADMO COCc1cccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001301171911 1066005768 /nfs/dbraw/zinc/00/57/68/1066005768.db2.gz GIOQIXWZDRTCBD-JOCHJYFZSA-N 1 1 457.619 3.261 20 0 JGADMO COCC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301184911 1066014640 /nfs/dbraw/zinc/01/46/40/1066014640.db2.gz XESXJLMNENTQTD-IBGZPJMESA-N 1 1 493.450 3.175 20 0 JGADMO COCC1=CCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001301195511 1066022348 /nfs/dbraw/zinc/02/23/48/1066022348.db2.gz HIKNSGLZGTYUTA-JOCHJYFZSA-N 1 1 453.631 3.461 20 0 JGADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC(C)(C)CC[NH+]3CCOCC3)cc2)cc1C ZINC001301212696 1066035966 /nfs/dbraw/zinc/03/59/66/1066035966.db2.gz WVFYLDYEYKUZTH-UHFFFAOYSA-N 1 1 459.612 3.335 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301247502 1066064434 /nfs/dbraw/zinc/06/44/34/1066064434.db2.gz GVRMYAASOCHGJC-NRFANRHFSA-N 1 1 459.610 3.372 20 0 JGADMO COC[C@H]1CCCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301247502 1066064442 /nfs/dbraw/zinc/06/44/42/1066064442.db2.gz GVRMYAASOCHGJC-NRFANRHFSA-N 1 1 459.610 3.372 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301255230 1066070331 /nfs/dbraw/zinc/07/03/31/1066070331.db2.gz BVJZKALRSJFMJE-WIYYLYMNSA-N 1 1 475.037 3.333 20 0 JGADMO COC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301255876 1066070765 /nfs/dbraw/zinc/07/07/65/1066070765.db2.gz IGLVMHGAAJOYLV-IRLDBZIGSA-N 1 1 477.613 3.309 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001301260966 1066075797 /nfs/dbraw/zinc/07/57/97/1066075797.db2.gz HSJQAECVVXHTBG-IAGOWNOFSA-N 1 1 465.440 3.393 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001301263068 1066078609 /nfs/dbraw/zinc/07/86/09/1066078609.db2.gz QNWNLCIGGGHOSS-RTWAWAEBSA-N 1 1 487.645 3.326 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001301265054 1066080804 /nfs/dbraw/zinc/08/08/04/1066080804.db2.gz VEDWUXREWVDUEF-RBUKOAKNSA-N 1 1 492.462 3.417 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301265608 1066081060 /nfs/dbraw/zinc/08/10/60/1066081060.db2.gz LHMUERURAGTXDI-LJQANCHMSA-N 1 1 491.080 3.496 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301265608 1066081074 /nfs/dbraw/zinc/08/10/74/1066081074.db2.gz LHMUERURAGTXDI-LJQANCHMSA-N 1 1 491.080 3.496 20 0 JGADMO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301265608 1066081088 /nfs/dbraw/zinc/08/10/88/1066081088.db2.gz LHMUERURAGTXDI-LJQANCHMSA-N 1 1 491.080 3.496 20 0 JGADMO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCOCC2)C1 ZINC001301265693 1066081669 /nfs/dbraw/zinc/08/16/69/1066081669.db2.gz MLLWDTRPVXQWSO-KRWDZBQOSA-N 1 1 451.974 3.323 20 0 JGADMO COC[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001301284413 1066092506 /nfs/dbraw/zinc/09/25/06/1066092506.db2.gz WLUOUYHGHFREOL-IBGZPJMESA-N 1 1 474.675 3.397 20 0 JGADMO COC[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301284975 1066093127 /nfs/dbraw/zinc/09/31/27/1066093127.db2.gz CHTIOWKVHKBPHS-LEWJYISDSA-N 1 1 489.064 3.455 20 0 JGADMO COC[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301284981 1066093186 /nfs/dbraw/zinc/09/31/86/1066093186.db2.gz CHTIOWKVHKBPHS-RTWAWAEBSA-N 1 1 489.064 3.455 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](COC)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301287619 1066095515 /nfs/dbraw/zinc/09/55/15/1066095515.db2.gz UGHHZGSAUKDKFL-SPHOGXRMSA-N 1 1 463.667 3.233 20 0 JGADMO COCC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301287563 1066095564 /nfs/dbraw/zinc/09/55/64/1066095564.db2.gz TWOLAWZAHTYPCP-BGYRXZFFSA-N 1 1 460.667 3.133 20 0 JGADMO COC[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001301287850 1066095804 /nfs/dbraw/zinc/09/58/04/1066095804.db2.gz VTGOAMKEXFRIBM-NJYVYQBISA-N 1 1 474.650 3.174 20 0 JGADMO COC[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301304136 1066108207 /nfs/dbraw/zinc/10/82/07/1066108207.db2.gz JKGCHZFHTCHDLR-JKSUJKDBSA-N 1 1 454.402 3.445 20 0 JGADMO COCC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301340008 1066129475 /nfs/dbraw/zinc/12/94/75/1066129475.db2.gz DODCLQQMPRZWHL-UHFFFAOYSA-N 1 1 471.646 3.448 20 0 JGADMO COCC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001301340008 1066129478 /nfs/dbraw/zinc/12/94/78/1066129478.db2.gz DODCLQQMPRZWHL-UHFFFAOYSA-N 1 1 471.646 3.448 20 0 JGADMO COCC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001301343228 1066134108 /nfs/dbraw/zinc/13/41/08/1066134108.db2.gz QUMYTLHNURRXBD-UHFFFAOYSA-N 1 1 457.619 3.059 20 0 JGADMO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC001301345555 1066137047 /nfs/dbraw/zinc/13/70/47/1066137047.db2.gz HLBTULMNMOLSIV-REWPJTCUSA-N 1 1 495.628 3.373 20 0 JGADMO COC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC001301345551 1066137081 /nfs/dbraw/zinc/13/70/81/1066137081.db2.gz HLBTULMNMOLSIV-NZQKXSOJSA-N 1 1 495.628 3.373 20 0 JGADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C(C)(C)n3cc(C)c(C(F)(F)F)n3)C2)ccn1 ZINC001301355599 1066144796 /nfs/dbraw/zinc/14/47/96/1066144796.db2.gz CNQXPDMNWXMWOP-GOSISDBHSA-N 1 1 453.509 3.472 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001301359748 1066151055 /nfs/dbraw/zinc/15/10/55/1066151055.db2.gz QGIUZSWYVDPFAH-AEFFLSMTSA-N 1 1 481.439 3.008 20 0 JGADMO COC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001301361872 1066156222 /nfs/dbraw/zinc/15/62/22/1066156222.db2.gz OYIQPVDQERPFJC-GOSISDBHSA-N 1 1 495.466 3.020 20 0 JGADMO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H](C)O1 ZINC001301377294 1066170880 /nfs/dbraw/zinc/17/08/80/1066170880.db2.gz XMILQRGERUGWGF-MZKRTTBSSA-N 1 1 457.619 3.314 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001301386363 1066173793 /nfs/dbraw/zinc/17/37/93/1066173793.db2.gz CWSQEEMUUTZGMY-YUXAGFNASA-N 1 1 461.582 3.031 20 0 JGADMO COC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001301398367 1066179446 /nfs/dbraw/zinc/17/94/46/1066179446.db2.gz CYLYXQQLUIXNEI-XMSQKQJNSA-N 1 1 473.618 3.442 20 0 JGADMO COC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)CCO1 ZINC001301414041 1066202965 /nfs/dbraw/zinc/20/29/65/1066202965.db2.gz KIBVQJCETJVEMU-BHDDXSALSA-N 1 1 463.667 3.313 20 0 JGADMO COCCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001301418172 1066210563 /nfs/dbraw/zinc/21/05/63/1066210563.db2.gz SHGUFTGBMUZWQF-YKSBVNFPSA-N 1 1 498.672 3.005 20 0 JGADMO COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001301422000 1066215445 /nfs/dbraw/zinc/21/54/45/1066215445.db2.gz VNZVBDCOIURHHL-KRWDZBQOSA-N 1 1 451.974 3.321 20 0 JGADMO COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001301422000 1066215455 /nfs/dbraw/zinc/21/54/55/1066215455.db2.gz VNZVBDCOIURHHL-KRWDZBQOSA-N 1 1 451.974 3.321 20 0 JGADMO COCCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001301430075 1066227712 /nfs/dbraw/zinc/22/77/12/1066227712.db2.gz MFAQNQMKEIYVHV-GCJKJVERSA-N 1 1 477.600 3.367 20 0 JGADMO COCCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301431544 1066229655 /nfs/dbraw/zinc/22/96/55/1066229655.db2.gz IHMRPZGIQAHMLO-DENIHFKCSA-N 1 1 475.609 3.216 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301945036 1066229863 /nfs/dbraw/zinc/22/98/63/1066229863.db2.gz VDOKRIPMAMPKNI-YPAWHYETSA-N 1 1 476.710 3.355 20 0 JGADMO COCCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001301432887 1066231780 /nfs/dbraw/zinc/23/17/80/1066231780.db2.gz ULJVOPLCDUJVDQ-UHFFFAOYSA-N 1 1 462.664 3.253 20 0 JGADMO COCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001301945578 1066233521 /nfs/dbraw/zinc/23/35/21/1066233521.db2.gz YHJWNNONVWAFOG-HSZRJFAPSA-N 1 1 482.673 3.219 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301945964 1066235932 /nfs/dbraw/zinc/23/59/32/1066235932.db2.gz WSJZNIPUTZTKKP-DEOSSOPVSA-N 1 1 496.681 3.390 20 0 JGADMO COCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001301452203 1066267088 /nfs/dbraw/zinc/26/70/88/1066267088.db2.gz SJQCEXDXJQVVIF-SXOMAYOGSA-N 1 1 485.673 3.136 20 0 JGADMO COCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001301452203 1066267100 /nfs/dbraw/zinc/26/71/00/1066267100.db2.gz SJQCEXDXJQVVIF-SXOMAYOGSA-N 1 1 485.673 3.136 20 0 JGADMO COCC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001301460245 1066280817 /nfs/dbraw/zinc/28/08/17/1066280817.db2.gz SXSLHZAGGBPORK-UQBPGWFLSA-N 1 1 475.609 3.094 20 0 JGADMO COCC[C@@](C)(O)Cn1c(N2CCC[N@H+](C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001301463684 1066287067 /nfs/dbraw/zinc/28/70/67/1066287067.db2.gz QSOIWAMRJYSKMN-RUZDIDTESA-N 1 1 455.647 3.456 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001301984995 1066295242 /nfs/dbraw/zinc/29/52/42/1066295242.db2.gz RCXBPOCMFJOXOC-BUPNWXMQSA-N 1 1 493.693 3.000 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001301986482 1066299458 /nfs/dbraw/zinc/29/94/58/1066299458.db2.gz YAFXYRBBMYKABG-FDFHNCONSA-N 1 1 471.646 3.365 20 0 JGADMO COCCC1(Cn2c(CC(C)C)nnc2N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)CCCC1 ZINC001301480141 1066301258 /nfs/dbraw/zinc/30/12/58/1066301258.db2.gz KMMKBRJCBIWHEV-UPVQGACJSA-N 1 1 488.721 3.452 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001301989302 1066306827 /nfs/dbraw/zinc/30/68/27/1066306827.db2.gz KBFUFRCKAMTYRC-OKZBNKHCSA-N 1 1 472.565 3.297 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001301990987 1066310334 /nfs/dbraw/zinc/31/03/34/1066310334.db2.gz MERLPQUJWWLFPO-SJBKTWHCSA-N 1 1 484.670 3.096 20 0 JGADMO COc1c(Br)ccc(F)c1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC001301495055 1066320126 /nfs/dbraw/zinc/32/01/26/1066320126.db2.gz UHZCCDHKXQNPNL-MRXNPFEDSA-N 1 1 450.352 3.143 20 0 JGADMO COc1c(Br)ccc(F)c1C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC001301495055 1066320141 /nfs/dbraw/zinc/32/01/41/1066320141.db2.gz UHZCCDHKXQNPNL-MRXNPFEDSA-N 1 1 450.352 3.143 20 0 JGADMO COCCc1noc(CN(C)c2nnc(-c3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001301496793 1066323004 /nfs/dbraw/zinc/32/30/04/1066323004.db2.gz WOKPOEUUOWAUSH-MOPGFXCFSA-N 1 1 453.591 3.274 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC001301498142 1066324620 /nfs/dbraw/zinc/32/46/20/1066324620.db2.gz CBMOYCJUVNEGIO-FQEVSTJZSA-N 1 1 468.646 3.116 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001301998163 1066328620 /nfs/dbraw/zinc/32/86/20/1066328620.db2.gz HOVQSPBGQHHUGV-KSZLIROESA-N 1 1 498.550 3.168 20 0 JGADMO CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001301503815 1066330026 /nfs/dbraw/zinc/33/00/26/1066330026.db2.gz LEPVUWSWAXUSHY-YKSBVNFPSA-N 1 1 457.640 3.381 20 0 JGADMO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccc(Cl)cc1OC ZINC001301999453 1066331202 /nfs/dbraw/zinc/33/12/02/1066331202.db2.gz NIEBPASHIWYNFH-HLIPFELVSA-N 1 1 464.010 3.385 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC=CCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001301999600 1066332026 /nfs/dbraw/zinc/33/20/26/1066332026.db2.gz HESRVTALTDNJRA-FYYLOGMGSA-N 1 1 455.603 3.060 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302001196 1066335529 /nfs/dbraw/zinc/33/55/29/1066335529.db2.gz HOIGIUWVRHELBI-KNKQGSTJSA-N 1 1 459.660 3.153 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001302001199 1066335956 /nfs/dbraw/zinc/33/59/56/1066335956.db2.gz HOIGIUWVRHELBI-WOIUINJBSA-N 1 1 459.660 3.153 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001301516088 1066344661 /nfs/dbraw/zinc/34/46/61/1066344661.db2.gz JIYIJBJXJMLAEP-NRFANRHFSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301516088 1066344676 /nfs/dbraw/zinc/34/46/76/1066344676.db2.gz JIYIJBJXJMLAEP-NRFANRHFSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301516088 1066344695 /nfs/dbraw/zinc/34/46/95/1066344695.db2.gz JIYIJBJXJMLAEP-NRFANRHFSA-N 1 1 475.081 3.411 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301526992 1066354205 /nfs/dbraw/zinc/35/42/05/1066354205.db2.gz WHJCBTLCAFVHMZ-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCC[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301526992 1066354225 /nfs/dbraw/zinc/35/42/25/1066354225.db2.gz WHJCBTLCAFVHMZ-QFIPXVFZSA-N 1 1 471.646 3.448 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1Cc1cnn(C)c1C ZINC001302011741 1066355074 /nfs/dbraw/zinc/35/50/74/1066355074.db2.gz HHAOBXDPWBMIIW-RBBKRZOGSA-N 1 1 481.645 3.193 20 0 JGADMO COCCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001301528877 1066356724 /nfs/dbraw/zinc/35/67/24/1066356724.db2.gz WZVJIXIAMJPFLG-FXAWDEMLSA-N 1 1 495.466 3.020 20 0 JGADMO COCCCCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001301536610 1066364533 /nfs/dbraw/zinc/36/45/33/1066364533.db2.gz GTZHZCJBYRZIGT-UHFFFAOYSA-N 1 1 466.634 3.138 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302017413 1066367932 /nfs/dbraw/zinc/36/79/32/1066367932.db2.gz STVJPKFIQSCPAZ-NJDAHSKKSA-N 1 1 473.666 3.240 20 0 JGADMO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001302017785 1066368319 /nfs/dbraw/zinc/36/83/19/1066368319.db2.gz OLPLIQHYSXGBTA-IRLDBZIGSA-N 1 1 474.694 3.161 20 0 JGADMO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001302017786 1066368398 /nfs/dbraw/zinc/36/83/98/1066368398.db2.gz OLPLIQHYSXGBTA-RBBKRZOGSA-N 1 1 474.694 3.161 20 0 JGADMO COCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001301551683 1066379713 /nfs/dbraw/zinc/37/97/13/1066379713.db2.gz OSXBTJRLNFBEIJ-UHFFFAOYSA-N 1 1 463.026 3.209 20 0 JGADMO COCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301564375 1066388685 /nfs/dbraw/zinc/38/86/85/1066388685.db2.gz OPQDLAZHXXWJDK-OYRHEFFESA-N 1 1 456.635 3.401 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001302028256 1066390840 /nfs/dbraw/zinc/39/08/40/1066390840.db2.gz GSJOFCWPZSXCQV-NVQXNPDNSA-N 1 1 470.662 3.142 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001302028252 1066390894 /nfs/dbraw/zinc/39/08/94/1066390894.db2.gz GSJOFCWPZSXCQV-BKMJKUGQSA-N 1 1 470.662 3.142 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001302029822 1066394255 /nfs/dbraw/zinc/39/42/55/1066394255.db2.gz UOQBHBISSPDCMI-DRLORSAXSA-N 1 1 471.646 3.140 20 0 JGADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001302035752 1066405274 /nfs/dbraw/zinc/40/52/74/1066405274.db2.gz MCGJBASKMHCVNH-OAHLLOKOSA-N 1 1 456.395 3.177 20 0 JGADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 ZINC001302036822 1066406504 /nfs/dbraw/zinc/40/65/04/1066406504.db2.gz QTBFCJHRMAONCZ-KRWDZBQOSA-N 1 1 456.543 3.474 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001302039294 1066411843 /nfs/dbraw/zinc/41/18/43/1066411843.db2.gz VHWYJPAMNPDIQP-REWPJTCUSA-N 1 1 489.636 3.369 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302040533 1066413429 /nfs/dbraw/zinc/41/34/29/1066413429.db2.gz BVDZYKVPMDHEKF-OALUTQOASA-N 1 1 478.037 3.187 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCc3cc(C)ccc32)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302043030 1066421510 /nfs/dbraw/zinc/42/15/10/1066421510.db2.gz LYMZWBUSHMZNLP-FQEVSTJZSA-N 1 1 456.635 3.031 20 0 JGADMO COCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001301589982 1066428105 /nfs/dbraw/zinc/42/81/05/1066428105.db2.gz BLYSAVSKPQUHTC-QGZVFWFLSA-N 1 1 466.424 3.209 20 0 JGADMO COCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@H+]1CCOC[C@H]1C ZINC001301589982 1066428111 /nfs/dbraw/zinc/42/81/11/1066428111.db2.gz BLYSAVSKPQUHTC-QGZVFWFLSA-N 1 1 466.424 3.209 20 0 JGADMO COCCCN(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001301590668 1066428725 /nfs/dbraw/zinc/42/87/25/1066428725.db2.gz JYGYKMMAMIIFOT-UHFFFAOYSA-N 1 1 466.424 3.291 20 0 JGADMO COCCCN(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001301590668 1066428737 /nfs/dbraw/zinc/42/87/37/1066428737.db2.gz JYGYKMMAMIIFOT-UHFFFAOYSA-N 1 1 466.424 3.291 20 0 JGADMO COCCCN(C)c1nnc(-c2ccccc2Br)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001301590778 1066429630 /nfs/dbraw/zinc/42/96/30/1066429630.db2.gz MXNVNDSTIVELTP-UHFFFAOYSA-N 1 1 479.467 3.206 20 0 JGADMO COCCCN(C)c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001301590778 1066429637 /nfs/dbraw/zinc/42/96/37/1066429637.db2.gz MXNVNDSTIVELTP-UHFFFAOYSA-N 1 1 479.467 3.206 20 0 JGADMO COCCCN(C)c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001301590778 1066429648 /nfs/dbraw/zinc/42/96/48/1066429648.db2.gz MXNVNDSTIVELTP-UHFFFAOYSA-N 1 1 479.467 3.206 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001302052312 1066439872 /nfs/dbraw/zinc/43/98/72/1066439872.db2.gz CPSBCAWVMOQVBL-CEMLEFRQSA-N 1 1 459.639 3.141 20 0 JGADMO COCCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001301603350 1066447792 /nfs/dbraw/zinc/44/77/92/1066447792.db2.gz NFOPKLMUFFSOAA-GOSISDBHSA-N 1 1 464.655 3.348 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001301606434 1066451553 /nfs/dbraw/zinc/45/15/53/1066451553.db2.gz AFTCBMHCXFZDCA-LJQANCHMSA-N 1 1 477.675 3.189 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001301606563 1066451626 /nfs/dbraw/zinc/45/16/26/1066451626.db2.gz CREYIGVNIWHCQV-INIZCTEOSA-N 1 1 489.974 3.035 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001301606995 1066452864 /nfs/dbraw/zinc/45/28/64/1066452864.db2.gz GNPJFWWRKGSLFL-IAGOWNOFSA-N 1 1 467.456 3.497 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001301606997 1066453001 /nfs/dbraw/zinc/45/30/01/1066453001.db2.gz GNPJFWWRKGSLFL-SJORKVTESA-N 1 1 467.456 3.497 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001301607536 1066454458 /nfs/dbraw/zinc/45/44/58/1066454458.db2.gz OBWSYLFSSBUPHS-QFIPXVFZSA-N 1 1 497.644 3.480 20 0 JGADMO COCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(F)(F)CC1 ZINC001301608069 1066455137 /nfs/dbraw/zinc/45/51/37/1066455137.db2.gz QTDZMRNDPUDFET-UHFFFAOYSA-N 1 1 464.561 3.351 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001301607771 1066455147 /nfs/dbraw/zinc/45/51/47/1066455147.db2.gz QQPMSZLGTYGJJA-UHFFFAOYSA-N 1 1 493.656 3.156 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 ZINC001301608211 1066455290 /nfs/dbraw/zinc/45/52/90/1066455290.db2.gz XPHCIAGRHVIYIY-XMMPIXPASA-N 1 1 488.995 3.199 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001301608261 1066455736 /nfs/dbraw/zinc/45/57/36/1066455736.db2.gz YPEIFEMJLWAXFR-QFBILLFUSA-N 1 1 471.524 3.078 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001301608707 1066455840 /nfs/dbraw/zinc/45/58/40/1066455840.db2.gz CXXLJRKBLPWWQJ-UHFFFAOYSA-N 1 1 481.645 3.493 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001301609424 1066456841 /nfs/dbraw/zinc/45/68/41/1066456841.db2.gz HMSFCVBIBKBESI-KRWDZBQOSA-N 1 1 472.531 3.125 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001301610459 1066457709 /nfs/dbraw/zinc/45/77/09/1066457709.db2.gz PIFMGJVLMTYMER-HSZRJFAPSA-N 1 1 468.577 3.334 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 ZINC001301610777 1066458105 /nfs/dbraw/zinc/45/81/05/1066458105.db2.gz VYMHTBHWLNQHNW-FQEVSTJZSA-N 1 1 455.632 3.457 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCOC2)C1 ZINC001301610529 1066458171 /nfs/dbraw/zinc/45/81/71/1066458171.db2.gz QLDWVLHEAXLKCV-QFIPXVFZSA-N 1 1 478.435 3.293 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001301610764 1066458225 /nfs/dbraw/zinc/45/82/25/1066458225.db2.gz VEQSOXOJZPIXMK-QFIPXVFZSA-N 1 1 454.550 3.025 20 0 JGADMO COCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC001301610938 1066458843 /nfs/dbraw/zinc/45/88/43/1066458843.db2.gz ZMLAJULDDDBVNG-IBGZPJMESA-N 1 1 472.663 3.104 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001301613828 1066464057 /nfs/dbraw/zinc/46/40/57/1066464057.db2.gz RRONEBIFTABBOS-NJYVYQBISA-N 1 1 476.666 3.350 20 0 JGADMO CC(C)(C)c1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302065218 1066465014 /nfs/dbraw/zinc/46/50/14/1066465014.db2.gz GTGCASSBZOQXHB-UHFFFAOYSA-N 1 1 473.637 3.400 20 0 JGADMO COCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001301617924 1066469278 /nfs/dbraw/zinc/46/92/78/1066469278.db2.gz LCAXITJONXUXLF-ZHHKINOHSA-N 1 1 463.667 3.169 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(-n2cccn2)cc1 ZINC001302067380 1066470171 /nfs/dbraw/zinc/47/01/71/1066470171.db2.gz IHHLWNZHETWXGV-OAQYLSRUSA-N 1 1 467.618 3.157 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCCN(c3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001302068295 1066471342 /nfs/dbraw/zinc/47/13/42/1066471342.db2.gz OFLRYQAVDBTTCJ-PKTZIBPZSA-N 1 1 470.662 3.451 20 0 JGADMO COCCC[N@@H+](C)CCn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1C(C)(C)C ZINC001301619302 1066473151 /nfs/dbraw/zinc/47/31/51/1066473151.db2.gz XQUHQXSHKAMNOM-UHFFFAOYSA-N 1 1 462.683 3.163 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CC=CCO1 ZINC001302071390 1066479341 /nfs/dbraw/zinc/47/93/41/1066479341.db2.gz IOFZBIPWUDXEJY-NZQKXSOJSA-N 1 1 473.593 3.199 20 0 JGADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301627160 1066485132 /nfs/dbraw/zinc/48/51/32/1066485132.db2.gz NDZBKMZJVQIAMQ-UTSDMRQJSA-N 1 1 466.630 3.268 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302073777 1066485821 /nfs/dbraw/zinc/48/58/21/1066485821.db2.gz WIBVMCKHEKIKDD-NJDAHSKKSA-N 1 1 491.706 3.296 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1Cc1nccs1 ZINC001302074165 1066486325 /nfs/dbraw/zinc/48/63/25/1066486325.db2.gz ZNXUKVNLPKDEGO-IBGZPJMESA-N 1 1 456.616 3.219 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302079903 1066494945 /nfs/dbraw/zinc/49/49/45/1066494945.db2.gz ATQKXZHWPBELEQ-GOTSBHOMSA-N 1 1 470.662 3.430 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302080594 1066497299 /nfs/dbraw/zinc/49/72/99/1066497299.db2.gz SQMKVOLEGDMOGH-UXHICEINSA-N 1 1 494.681 3.180 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccccc1Cl ZINC001302080715 1066497840 /nfs/dbraw/zinc/49/78/40/1066497840.db2.gz WFRRLYJUTCLNBD-UHFFFAOYSA-N 1 1 489.064 3.443 20 0 JGADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccccc1Cl ZINC001302080715 1066497844 /nfs/dbraw/zinc/49/78/44/1066497844.db2.gz WFRRLYJUTCLNBD-UHFFFAOYSA-N 1 1 489.064 3.443 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301637437 1066501343 /nfs/dbraw/zinc/50/13/43/1066501343.db2.gz CQXROBBIKWOZPY-NRFANRHFSA-N 1 1 453.635 3.216 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301638496 1066502625 /nfs/dbraw/zinc/50/26/25/1066502625.db2.gz QTCKKMQUJWVGSU-QUCCMNQESA-N 1 1 453.635 3.216 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(C)c3C)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001302083098 1066504104 /nfs/dbraw/zinc/50/41/04/1066504104.db2.gz UJGSRHLWHQGPBG-GGAORHGYSA-N 1 1 470.662 3.430 20 0 JGADMO CC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301641245 1066505654 /nfs/dbraw/zinc/50/56/54/1066505654.db2.gz GRGGGDHIPOWHJZ-NRFANRHFSA-N 1 1 467.662 3.223 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001302086931 1066511396 /nfs/dbraw/zinc/51/13/96/1066511396.db2.gz MDPRLWYGJRWNPY-UHFFFAOYSA-N 1 1 458.557 3.078 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H]1CSCCS1 ZINC001302088756 1066514582 /nfs/dbraw/zinc/51/45/82/1066514582.db2.gz GZTHQISSAPFTNH-GHTZIAJQSA-N 1 1 495.690 3.312 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1c(C)noc1C ZINC001302090719 1066518359 /nfs/dbraw/zinc/51/83/59/1066518359.db2.gz XHWWSFLJQPNRHW-NQIIRXRSSA-N 1 1 468.602 3.366 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC1(O)CCCCCC1 ZINC001302091641 1066519563 /nfs/dbraw/zinc/51/95/63/1066519563.db2.gz FVTPSAOPKSHRNR-SFTDATJTSA-N 1 1 463.667 3.398 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccc(F)c(COC)c1 ZINC001302093465 1066521287 /nfs/dbraw/zinc/52/12/87/1066521287.db2.gz VMGFRBCQBNLNQE-NQIIRXRSSA-N 1 1 461.582 3.010 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302093892 1066521552 /nfs/dbraw/zinc/52/15/52/1066521552.db2.gz XRGIEVMEKLHTEK-ZLNRFVROSA-N 1 1 462.683 3.045 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302093892 1066521566 /nfs/dbraw/zinc/52/15/66/1066521566.db2.gz XRGIEVMEKLHTEK-ZLNRFVROSA-N 1 1 462.683 3.045 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccc(F)c(COC)c1 ZINC001302093469 1066521626 /nfs/dbraw/zinc/52/16/26/1066521626.db2.gz VMGFRBCQBNLNQE-WIYYLYMNSA-N 1 1 461.582 3.010 20 0 JGADMO CC(C)(C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001302094336 1066522751 /nfs/dbraw/zinc/52/27/51/1066522751.db2.gz AIWANZMERWXBCL-OAQYLSRUSA-N 1 1 494.606 3.265 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)C(C)C ZINC001302095253 1066524498 /nfs/dbraw/zinc/52/44/98/1066524498.db2.gz UERWFTKXEMEAMB-VQTJNVASSA-N 1 1 451.656 3.374 20 0 JGADMO COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)C(C)C ZINC001302095251 1066524529 /nfs/dbraw/zinc/52/45/29/1066524529.db2.gz UERWFTKXEMEAMB-PMACEKPBSA-N 1 1 451.656 3.374 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301655996 1066524884 /nfs/dbraw/zinc/52/48/84/1066524884.db2.gz VXSJIUCJHICVKB-NZQKXSOJSA-N 1 1 467.662 3.465 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1Cc1ccncc1Cl ZINC001302095458 1066525115 /nfs/dbraw/zinc/52/51/15/1066525115.db2.gz KFZPSEDWSJMBHG-FQEVSTJZSA-N 1 1 485.032 3.234 20 0 JGADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCCCS1 ZINC001302095385 1066525180 /nfs/dbraw/zinc/52/51/80/1066525180.db2.gz JJIDTHFZRLJVDY-IRLDBZIGSA-N 1 1 473.687 3.423 20 0 JGADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001301662324 1066533797 /nfs/dbraw/zinc/53/37/97/1066533797.db2.gz FKEZDAJBCPNEGE-SXWKCWPCSA-N 1 1 470.637 3.433 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301662472 1066534160 /nfs/dbraw/zinc/53/41/60/1066534160.db2.gz ZITOIESBFGVASE-HXUWFJFHSA-N 1 1 476.710 3.455 20 0 JGADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301663363 1066536567 /nfs/dbraw/zinc/53/65/67/1066536567.db2.gz WBCOGEADJMRNAX-LEWJYISDSA-N 1 1 458.676 3.355 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3nccs3)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302104530 1066538822 /nfs/dbraw/zinc/53/88/22/1066538822.db2.gz DAYNXAIPUUNJOD-HAGHYFMRSA-N 1 1 478.663 3.157 20 0 JGADMO COCCCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301665422 1066540343 /nfs/dbraw/zinc/54/03/43/1066540343.db2.gz JSOBQUYCHPLCHX-FQEVSTJZSA-N 1 1 460.667 3.035 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001302108996 1066546418 /nfs/dbraw/zinc/54/64/18/1066546418.db2.gz SDHQNNNQBONCPN-NNMXDRDESA-N 1 1 461.582 3.203 20 0 JGADMO COCCCOC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001301671762 1066549554 /nfs/dbraw/zinc/54/95/54/1066549554.db2.gz HIXMSUPSKPEAAJ-SFHVURJKSA-N 1 1 496.027 3.480 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001302110605 1066549738 /nfs/dbraw/zinc/54/97/38/1066549738.db2.gz FOJAEDZCESNEBI-PWRODBHTSA-N 1 1 489.686 3.213 20 0 JGADMO COCCCOC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301672343 1066550578 /nfs/dbraw/zinc/55/05/78/1066550578.db2.gz KPSNVKDFZQAIRF-UHFFFAOYSA-N 1 1 493.450 3.320 20 0 JGADMO COCCO[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302112195 1066552439 /nfs/dbraw/zinc/55/24/39/1066552439.db2.gz OLRQYZFNKXSVBC-BHIFYINESA-N 1 1 495.734 3.473 20 0 JGADMO COCCCOC1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301677365 1066559160 /nfs/dbraw/zinc/55/91/60/1066559160.db2.gz XQLAHLVOMVUMDQ-NRFANRHFSA-N 1 1 456.635 3.482 20 0 JGADMO Cc1sc2nc(CCC(=O)N(C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)[nH]c(=O)c2c1C ZINC001301681068 1066563809 /nfs/dbraw/zinc/56/38/09/1066563809.db2.gz KEXFMDWAMYFHDM-DEOSSOPVSA-N 1 1 454.596 3.042 20 0 JGADMO CC(=O)N1CCC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001301684417 1066567401 /nfs/dbraw/zinc/56/74/01/1066567401.db2.gz ZLKHFVWUXKHPSD-JOCHJYFZSA-N 1 1 453.635 3.155 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001302126119 1066569358 /nfs/dbraw/zinc/56/93/58/1066569358.db2.gz RHXGUZNRRQZSNC-RTWAWAEBSA-N 1 1 459.587 3.146 20 0 JGADMO CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC001301685793 1066569916 /nfs/dbraw/zinc/56/99/16/1066569916.db2.gz GYQDBUNFKZOWIV-ZFGGDYGUSA-N 1 1 488.721 3.451 20 0 JGADMO CC(=O)N1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001301687590 1066573413 /nfs/dbraw/zinc/57/34/13/1066573413.db2.gz SQRRPHZVSUPYAQ-OAQYLSRUSA-N 1 1 472.609 3.175 20 0 JGADMO COCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001301690876 1066578243 /nfs/dbraw/zinc/57/82/43/1066578243.db2.gz ITBLXAGUEXOGOQ-SFHVURJKSA-N 1 1 451.999 3.047 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCC(CO)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302136074 1066582036 /nfs/dbraw/zinc/58/20/36/1066582036.db2.gz PXVJGEJTMJELLR-QHCPKHFHSA-N 1 1 455.647 3.367 20 0 JGADMO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001302136405 1066582583 /nfs/dbraw/zinc/58/25/83/1066582583.db2.gz RKTWDLULMSQIGN-LJQANCHMSA-N 1 1 496.578 3.410 20 0 JGADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001301697169 1066585972 /nfs/dbraw/zinc/58/59/72/1066585972.db2.gz WWQAJMGMNRJMQB-UHFFFAOYSA-N 1 1 486.418 3.361 20 0 JGADMO CC(=O)N1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001301704646 1066593381 /nfs/dbraw/zinc/59/33/81/1066593381.db2.gz QBDMNICGJOLJJN-NRFANRHFSA-N 1 1 454.619 3.017 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4csc(C)n4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301708000 1066598862 /nfs/dbraw/zinc/59/88/62/1066598862.db2.gz GUWULBMJBJKZEQ-OXQOHEQNSA-N 1 1 495.644 3.058 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4csc(C)n4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301708001 1066599032 /nfs/dbraw/zinc/59/90/32/1066599032.db2.gz GUWULBMJBJKZEQ-UZLBHIALSA-N 1 1 495.644 3.058 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCOc3ccccc3)C[C@H]2C)CC1 ZINC001301708297 1066599729 /nfs/dbraw/zinc/59/97/29/1066599729.db2.gz KVVNWQHAKNDLJJ-ZJSXRUAMSA-N 1 1 468.646 3.250 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccccc1C ZINC001301710032 1066603672 /nfs/dbraw/zinc/60/36/72/1066603672.db2.gz BXHPLQZHKLZYCW-QFIPXVFZSA-N 1 1 454.619 3.132 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCc3sc(C)nc3C)C[C@H]2C)CC1 ZINC001301710318 1066604797 /nfs/dbraw/zinc/60/47/97/1066604797.db2.gz YLLWATXYWQTZRB-UTKZUKDTSA-N 1 1 473.691 3.096 20 0 JGADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CSCCS3)C[C@@H]2C)CC1 ZINC001301710566 1066604844 /nfs/dbraw/zinc/60/48/44/1066604844.db2.gz ZGXLSKYVUFIHRL-SESVDKBCSA-N 1 1 494.775 3.094 20 0 JGADMO COCC[N@@H+](C)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001301711249 1066606141 /nfs/dbraw/zinc/60/61/41/1066606141.db2.gz ULQHDOXSLQCUES-GGAORHGYSA-N 1 1 484.645 3.121 20 0 JGADMO COCCO[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001302153543 1066607455 /nfs/dbraw/zinc/60/74/55/1066607455.db2.gz ZMWOKTMKSNBJRV-YADHBBJMSA-N 1 1 456.635 3.340 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001301712189 1066607909 /nfs/dbraw/zinc/60/79/09/1066607909.db2.gz AXLCTDPKPCEYGF-UHFFFAOYSA-N 1 1 473.647 3.215 20 0 JGADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001301712506 1066608530 /nfs/dbraw/zinc/60/85/30/1066608530.db2.gz GDEZGERWWNKWSU-UPVQGACJSA-N 1 1 498.672 3.060 20 0 JGADMO COCC[N@H+](C)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(C)C)CC1 ZINC001301712998 1066610477 /nfs/dbraw/zinc/61/04/77/1066610477.db2.gz IACCEDQDMLBOFC-UHFFFAOYSA-N 1 1 465.646 3.300 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(C)C)CC1 ZINC001301712998 1066610482 /nfs/dbraw/zinc/61/04/82/1066610482.db2.gz IACCEDQDMLBOFC-UHFFFAOYSA-N 1 1 465.646 3.300 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301713011 1066610490 /nfs/dbraw/zinc/61/04/90/1066610490.db2.gz IHQFTPKZSCEHBY-PMSBKCLSSA-N 1 1 492.462 3.273 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C2CC2)C1 ZINC001301713295 1066611679 /nfs/dbraw/zinc/61/16/79/1066611679.db2.gz KHZUSBGHKSUANN-QGZVFWFLSA-N 1 1 465.440 3.251 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001301714433 1066615454 /nfs/dbraw/zinc/61/54/54/1066615454.db2.gz USKQLVUQLFWPLF-UHFFFAOYSA-N 1 1 457.619 3.319 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001301714699 1066616625 /nfs/dbraw/zinc/61/66/25/1066616625.db2.gz VZWKYUYAMULHRL-UHFFFAOYSA-N 1 1 474.556 3.420 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001301715471 1066617249 /nfs/dbraw/zinc/61/72/49/1066617249.db2.gz FTJQWQVGSAEZGF-HXUWFJFHSA-N 1 1 450.587 3.404 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001301716717 1066618579 /nfs/dbraw/zinc/61/85/79/1066618579.db2.gz NCSMAWLFMHFWML-UHFFFAOYSA-N 1 1 497.669 3.031 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001301716566 1066618710 /nfs/dbraw/zinc/61/87/10/1066618710.db2.gz KPXVPFMCHGMHIZ-JOCHJYFZSA-N 1 1 484.567 3.147 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302160927 1066619162 /nfs/dbraw/zinc/61/91/62/1066619162.db2.gz OZPBFQREXSXOSQ-LJQANCHMSA-N 1 1 453.697 3.392 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001301717583 1066619418 /nfs/dbraw/zinc/61/94/18/1066619418.db2.gz QUDNQBZEKIISFC-UHFFFAOYSA-N 1 1 485.583 3.222 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@H](C)[C@H]1C ZINC001301718059 1066619838 /nfs/dbraw/zinc/61/98/38/1066619838.db2.gz AFKLEZJYQUJDKR-IAGOWNOFSA-N 1 1 453.603 3.446 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001301718524 1066620773 /nfs/dbraw/zinc/62/07/73/1066620773.db2.gz GYZGZYMTBJGARI-GOSISDBHSA-N 1 1 467.618 3.435 20 0 JGADMO COCC[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001301719498 1066621467 /nfs/dbraw/zinc/62/14/67/1066621467.db2.gz RJODJXZVQGVYIV-SFHVURJKSA-N 1 1 467.618 3.435 20 0 JGADMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c2ccccc2)cc1 ZINC001301719796 1066621791 /nfs/dbraw/zinc/62/17/91/1066621791.db2.gz ZRXMNQLYAJPBKG-PLQXJYEYSA-N 1 1 455.624 3.381 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001301719711 1066621821 /nfs/dbraw/zinc/62/18/21/1066621821.db2.gz VOJCAWPXIUZLBG-HLIPFELVSA-N 1 1 460.450 3.161 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001301719740 1066621880 /nfs/dbraw/zinc/62/18/80/1066621880.db2.gz WGTTXAAUEMLBDF-DHIUTWEWSA-N 1 1 457.619 3.108 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001301719992 1066621891 /nfs/dbraw/zinc/62/18/91/1066621891.db2.gz YHTQTDMTFLNVER-JOCHJYFZSA-N 1 1 459.610 3.108 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001301720309 1066622992 /nfs/dbraw/zinc/62/29/92/1066622992.db2.gz DMTJFAZUMZLVBL-UHFFFAOYSA-N 1 1 477.535 3.184 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301720706 1066624284 /nfs/dbraw/zinc/62/42/84/1066624284.db2.gz BJWBLAFWINUKSS-HXUWFJFHSA-N 1 1 488.633 3.025 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001301721050 1066625487 /nfs/dbraw/zinc/62/54/87/1066625487.db2.gz HQZYTRPQYZYPIG-GXRSIYKFSA-N 1 1 463.667 3.313 20 0 JGADMO COCC[N@@H+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCCc2sccc2C1 ZINC001301721116 1066626317 /nfs/dbraw/zinc/62/63/17/1066626317.db2.gz IYSMLQBCSDFCLZ-UHFFFAOYSA-N 1 1 457.648 3.122 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccsc1 ZINC001301721377 1066626943 /nfs/dbraw/zinc/62/69/43/1066626943.db2.gz GRAVVBQFLIAVOZ-UHFFFAOYSA-N 1 1 467.437 3.322 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302165187 1066627536 /nfs/dbraw/zinc/62/75/36/1066627536.db2.gz HNLQQHXNTUPJLQ-UHFFFAOYSA-N 1 1 486.636 3.079 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302165187 1066627537 /nfs/dbraw/zinc/62/75/37/1066627537.db2.gz HNLQQHXNTUPJLQ-UHFFFAOYSA-N 1 1 486.636 3.079 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001301721732 1066627685 /nfs/dbraw/zinc/62/76/85/1066627685.db2.gz KKGIVPNPLHSDKP-IBGZPJMESA-N 1 1 452.603 3.384 20 0 JGADMO CC(C)(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302166040 1066628672 /nfs/dbraw/zinc/62/86/72/1066628672.db2.gz QHGVJCAZHONNGT-JOCHJYFZSA-N 1 1 458.626 3.179 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301722307 1066630280 /nfs/dbraw/zinc/63/02/80/1066630280.db2.gz QKBVIFJQTBOTAB-IBGZPJMESA-N 1 1 460.026 3.030 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001301722460 1066630298 /nfs/dbraw/zinc/63/02/98/1066630298.db2.gz QRTPCBUEAKXGHK-RXVVDRJESA-N 1 1 463.598 3.387 20 0 JGADMO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302166711 1066630924 /nfs/dbraw/zinc/63/09/24/1066630924.db2.gz LFSXJKAMGOSQPP-HXUWFJFHSA-N 1 1 476.419 3.211 20 0 JGADMO COCC[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001301723003 1066632858 /nfs/dbraw/zinc/63/28/58/1066632858.db2.gz UHUHGJBGSLIIGC-WCIQWLHISA-N 1 1 464.655 3.252 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001301723148 1066633644 /nfs/dbraw/zinc/63/36/44/1066633644.db2.gz XDJGFGOMVMYNRB-OKZBNKHCSA-N 1 1 451.612 3.466 20 0 JGADMO COCC[N@@H+](C)CCCn1c(N2CCN(c3ccc(F)c(OC)c3)CC2)nnc1C(C)(C)C ZINC001301723561 1066634815 /nfs/dbraw/zinc/63/48/15/1066634815.db2.gz VUKIGXHIKZPJPD-UHFFFAOYSA-N 1 1 462.614 3.018 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001301725155 1066638938 /nfs/dbraw/zinc/63/89/38/1066638938.db2.gz MWIFFTJGRKULJN-XMMPIXPASA-N 1 1 482.673 3.148 20 0 JGADMO COCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 ZINC001301725359 1066639702 /nfs/dbraw/zinc/63/97/02/1066639702.db2.gz DZPDQCGNDNLKMD-OAQYLSRUSA-N 1 1 487.626 3.170 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 ZINC001301725359 1066639708 /nfs/dbraw/zinc/63/97/08/1066639708.db2.gz DZPDQCGNDNLKMD-OAQYLSRUSA-N 1 1 487.626 3.170 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCC[C@H]2C)[C@@H](C)C1 ZINC001301726729 1066643849 /nfs/dbraw/zinc/64/38/49/1066643849.db2.gz YCMIVZBWPMHQAF-CABCVRRESA-N 1 1 481.464 3.310 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001301726934 1066644325 /nfs/dbraw/zinc/64/43/25/1066644325.db2.gz XMYVHGGUWVMENF-SFHVURJKSA-N 1 1 495.455 3.421 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1c1nncn1C ZINC001301727055 1066644366 /nfs/dbraw/zinc/64/43/66/1066644366.db2.gz ZIOSDWZQUYXARD-SFHVURJKSA-N 1 1 479.416 3.300 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2C)CC1 ZINC001301727805 1066645910 /nfs/dbraw/zinc/64/59/10/1066645910.db2.gz KNTHYIJYAJXODO-UHFFFAOYSA-N 1 1 470.021 3.207 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001301728147 1066647129 /nfs/dbraw/zinc/64/71/29/1066647129.db2.gz VWNNQLCILIRIFU-XLIONFOSSA-N 1 1 478.435 3.291 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001301729541 1066647666 /nfs/dbraw/zinc/64/76/66/1066647666.db2.gz JXLCGPCHMJVHSH-UHFFFAOYSA-N 1 1 477.535 3.488 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001301729567 1066647697 /nfs/dbraw/zinc/64/76/97/1066647697.db2.gz KJSRWXYEZKVMCS-UHFFFAOYSA-N 1 1 484.048 3.202 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC001301729314 1066647788 /nfs/dbraw/zinc/64/77/88/1066647788.db2.gz HBTPIVMCPHBUBM-UHFFFAOYSA-N 1 1 450.587 3.311 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001301730148 1066648552 /nfs/dbraw/zinc/64/85/52/1066648552.db2.gz QWCARSFFGOFWKX-FQEVSTJZSA-N 1 1 467.593 3.081 20 0 JGADMO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001301730359 1066649051 /nfs/dbraw/zinc/64/90/51/1066649051.db2.gz VABWUFVJRHBMBU-RXVVDRJESA-N 1 1 456.616 3.255 20 0 JGADMO CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001301730828 1066649851 /nfs/dbraw/zinc/64/98/51/1066649851.db2.gz MOUOWRKKIADNES-LEWJYISDSA-N 1 1 461.614 3.308 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001301732400 1066652104 /nfs/dbraw/zinc/65/21/04/1066652104.db2.gz SGUWCPZJTOELGA-LJQANCHMSA-N 1 1 478.435 3.076 20 0 JGADMO COCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001301732889 1066653433 /nfs/dbraw/zinc/65/34/33/1066653433.db2.gz WSBRGYGGXNKLIN-TZIWHRDSSA-N 1 1 476.666 3.350 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001301733650 1066653774 /nfs/dbraw/zinc/65/37/74/1066653774.db2.gz HNEWYKGYWQGELR-QGZVFWFLSA-N 1 1 456.541 3.244 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 ZINC001301733332 1066653885 /nfs/dbraw/zinc/65/38/85/1066653885.db2.gz XSAINYCRHBVDIR-HXUWFJFHSA-N 1 1 464.655 3.351 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001301733889 1066654651 /nfs/dbraw/zinc/65/46/51/1066654651.db2.gz JVJIDLSKWJPEAV-GDBMZVCRSA-N 1 1 461.479 3.360 20 0 JGADMO COCCOC1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001302179186 1066654939 /nfs/dbraw/zinc/65/49/39/1066654939.db2.gz GHMUEXQULVSRSM-SFTDATJTSA-N 1 1 463.667 3.314 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001301737488 1066659274 /nfs/dbraw/zinc/65/92/74/1066659274.db2.gz YUAZBBQIRZCPFV-UHFFFAOYSA-N 1 1 483.686 3.155 20 0 JGADMO COCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001301737381 1066659317 /nfs/dbraw/zinc/65/93/17/1066659317.db2.gz XQJMGIVFLSFJLH-IAGOWNOFSA-N 1 1 454.040 3.419 20 0 JGADMO COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001301737112 1066659621 /nfs/dbraw/zinc/65/96/21/1066659621.db2.gz UGGGIUVTXXCTAD-UHFFFAOYSA-N 1 1 454.644 3.225 20 0 JGADMO COCC[N@@H+](C)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C ZINC001301740061 1066660723 /nfs/dbraw/zinc/66/07/23/1066660723.db2.gz IOKZZIWFLHPFRS-FGTMMUONSA-N 1 1 467.565 3.295 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001301739868 1066660940 /nfs/dbraw/zinc/66/09/40/1066660940.db2.gz GHLUAWHTAGXDAP-YPAWHYETSA-N 1 1 463.667 3.170 20 0 JGADMO COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001301740376 1066661370 /nfs/dbraw/zinc/66/13/70/1066661370.db2.gz JLAGNDDQXMPEFP-RTBURBONSA-N 1 1 451.656 3.169 20 0 JGADMO COCC[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 ZINC001301740427 1066662165 /nfs/dbraw/zinc/66/21/65/1066662165.db2.gz KOZREEGLSPMYCB-UHFFFAOYSA-N 1 1 496.077 3.188 20 0 JGADMO COCCOC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001302185961 1066665117 /nfs/dbraw/zinc/66/51/17/1066665117.db2.gz YHBLORGZDRSZFQ-NHCUHLMSSA-N 1 1 456.635 3.016 20 0 JGADMO CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301743248 1066666951 /nfs/dbraw/zinc/66/69/51/1066666951.db2.gz FRXIDOMDEFEBTF-OYRHEFFESA-N 1 1 470.637 3.435 20 0 JGADMO O=C(c1ccnc(Cl)c1I)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001301745785 1066673282 /nfs/dbraw/zinc/67/32/82/1066673282.db2.gz BBCCLBQPIIDPNQ-KBPBESRZSA-N 1 1 453.711 3.439 20 0 JGADMO O=C(c1ccnc(Cl)c1I)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001301745785 1066673285 /nfs/dbraw/zinc/67/32/85/1066673285.db2.gz BBCCLBQPIIDPNQ-KBPBESRZSA-N 1 1 453.711 3.439 20 0 JGADMO COCCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[C@@H](C)C1 ZINC001301747831 1066675872 /nfs/dbraw/zinc/67/58/72/1066675872.db2.gz GNISTJZCSXETCB-JBPLPALLSA-N 1 1 473.666 3.208 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)CC1 ZINC001302192473 1066676945 /nfs/dbraw/zinc/67/69/45/1066676945.db2.gz IKPBPYOVWNDNIE-LJQANCHMSA-N 1 1 465.689 3.043 20 0 JGADMO COCCOC[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001302192579 1066677616 /nfs/dbraw/zinc/67/76/16/1066677616.db2.gz DESXMYUXEGVZRK-FQEVSTJZSA-N 1 1 453.591 3.002 20 0 JGADMO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001302194051 1066680297 /nfs/dbraw/zinc/68/02/97/1066680297.db2.gz VOMJLIQEOWJNNX-UHFFFAOYSA-N 1 1 476.691 3.035 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC(=O)NCC(F)(F)F)CC1 ZINC001302194192 1066681131 /nfs/dbraw/zinc/68/11/31/1066681131.db2.gz CNFMWTDAGNKBRP-UHFFFAOYSA-N 1 1 456.488 3.073 20 0 JGADMO Cc1c(C(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)cnn1-c1cc[nH+]cc1 ZINC001301751134 1066681509 /nfs/dbraw/zinc/68/15/09/1066681509.db2.gz IHWQHBXKUWEZOY-HNNXBMFYSA-N 1 1 456.344 3.409 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001302195176 1066683780 /nfs/dbraw/zinc/68/37/80/1066683780.db2.gz NQEKMFYDUZBGRZ-UHFFFAOYSA-N 1 1 477.613 3.176 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCO2)CC1 ZINC001302196085 1066685938 /nfs/dbraw/zinc/68/59/38/1066685938.db2.gz ZWPWPGHIMGWOKL-FQEVSTJZSA-N 1 1 473.643 3.004 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC=CCO2)CC1 ZINC001302196086 1066686507 /nfs/dbraw/zinc/68/65/07/1066686507.db2.gz ZWPWPGHIMGWOKL-HXUWFJFHSA-N 1 1 473.643 3.004 20 0 JGADMO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC001301757084 1066689608 /nfs/dbraw/zinc/68/96/08/1066689608.db2.gz OQDDYMPOWYPJPL-LJQANCHMSA-N 1 1 472.609 3.175 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001302200037 1066693369 /nfs/dbraw/zinc/69/33/69/1066693369.db2.gz JAKOXTQCHSKRLK-GOSISDBHSA-N 1 1 495.640 3.425 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)s2)CC1 ZINC001302200066 1066693438 /nfs/dbraw/zinc/69/34/38/1066693438.db2.gz JXRTYYAKSQIPDH-UHFFFAOYSA-N 1 1 451.040 3.474 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CC1 ZINC001302200645 1066694821 /nfs/dbraw/zinc/69/48/21/1066694821.db2.gz QCIZEOKUNKLMTM-UHFFFAOYSA-N 1 1 475.037 3.347 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCCOC(C)C)C[C@@H]2C)CC1 ZINC001301762936 1066701798 /nfs/dbraw/zinc/70/17/98/1066701798.db2.gz DHAQSWDKKABNHQ-UGKGYDQZSA-N 1 1 472.634 3.041 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCO[C@H](C)C3)C[C@@H]2C)CC1 ZINC001301762967 1066702419 /nfs/dbraw/zinc/70/24/19/1066702419.db2.gz DWMWXLZDCIPLRP-KKSHJYNMSA-N 1 1 474.694 3.061 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001301763147 1066702517 /nfs/dbraw/zinc/70/25/17/1066702517.db2.gz DEFOKFFBDXUKEY-IRXDYDNUSA-N 1 1 475.435 3.106 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001301763145 1066702702 /nfs/dbraw/zinc/70/27/02/1066702702.db2.gz DEFOKFFBDXUKEY-DLBZAZTESA-N 1 1 475.435 3.106 20 0 JGADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCO[C@@H](C)C3)C[C@H]2C)CC1 ZINC001301762965 1066702763 /nfs/dbraw/zinc/70/27/63/1066702763.db2.gz DWMWXLZDCIPLRP-IRMYBRCSSA-N 1 1 474.694 3.061 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[C@@H](C)C2)CC1 ZINC001301763727 1066703698 /nfs/dbraw/zinc/70/36/98/1066703698.db2.gz IFLHOBGUAQERML-OAHLLOKOSA-N 1 1 495.853 3.371 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCOc3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC001301764465 1066705318 /nfs/dbraw/zinc/70/53/18/1066705318.db2.gz JQUZYYIXIOOQDY-CVDCTZTESA-N 1 1 489.064 3.198 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001301764749 1066705986 /nfs/dbraw/zinc/70/59/86/1066705986.db2.gz SJNHQFIBJHEZOU-OAQYLSRUSA-N 1 1 489.462 3.497 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3Br)nnc2N2CCC(C)(C)CC2)CC1 ZINC001301766764 1066707894 /nfs/dbraw/zinc/70/78/94/1066707894.db2.gz IPVDMUJCYMHZKH-UHFFFAOYSA-N 1 1 489.462 3.498 20 0 JGADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001301767150 1066708679 /nfs/dbraw/zinc/70/86/79/1066708679.db2.gz NBXVPVKHMYEBLX-LJQANCHMSA-N 1 1 465.577 3.149 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3c(F)cccc3OC(F)F)C[C@@H]2C)CC1 ZINC001301767538 1066709960 /nfs/dbraw/zinc/70/99/60/1066709960.db2.gz QPUXFWGGLFYPGE-JXFKEZNVSA-N 1 1 494.562 3.179 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccccc3C)C[C@@H]2C)CC1 ZINC001301767825 1066710414 /nfs/dbraw/zinc/71/04/14/1066710414.db2.gz RNCPJPMFWBVXOM-REWPJTCUSA-N 1 1 452.647 3.116 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(Cl)c3)C[C@@H]2C)CC1 ZINC001301768585 1066711729 /nfs/dbraw/zinc/71/17/29/1066711729.db2.gz XMTAACXUXMWNEQ-UWJYYQICSA-N 1 1 459.038 3.266 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccc4Cl)n3CCCOC(F)F)C[C@@H]2C)CC1 ZINC001301768377 1066711770 /nfs/dbraw/zinc/71/17/70/1066711770.db2.gz VPPJUDATDYUGMM-JXFKEZNVSA-N 1 1 496.990 3.217 20 0 JGADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(Cl)c3)C[C@H]2C)CC1 ZINC001301768584 1066711880 /nfs/dbraw/zinc/71/18/80/1066711880.db2.gz XMTAACXUXMWNEQ-UTKZUKDTSA-N 1 1 459.038 3.266 20 0 JGADMO COCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001302219848 1066723228 /nfs/dbraw/zinc/72/32/28/1066723228.db2.gz HVACJBJJGOLJNL-QGZVFWFLSA-N 1 1 482.398 3.184 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(-c2cnccn2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001301780794 1066730115 /nfs/dbraw/zinc/73/01/15/1066730115.db2.gz TURQNOVBIWVELT-OALUTQOASA-N 1 1 453.591 3.410 20 0 JGADMO COCCN(Cc1ccc(C)o1)c1nnc(-c2cnccn2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001301780793 1066730182 /nfs/dbraw/zinc/73/01/82/1066730182.db2.gz TURQNOVBIWVELT-MOPGFXCFSA-N 1 1 453.591 3.410 20 0 JGADMO COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001301783557 1066732480 /nfs/dbraw/zinc/73/24/80/1066732480.db2.gz QXDSXIDTIKOXHA-HXUWFJFHSA-N 1 1 451.596 3.376 20 0 JGADMO COCCN(Cc1ccco1)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001301788193 1066737603 /nfs/dbraw/zinc/73/76/03/1066737603.db2.gz FBLLPHDHWJSFCV-JOCHJYFZSA-N 1 1 490.402 3.020 20 0 JGADMO COCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301796779 1066748439 /nfs/dbraw/zinc/74/84/39/1066748439.db2.gz XECLYJLVZYBDSI-INIZCTEOSA-N 1 1 451.974 3.321 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC(F)(F)F ZINC001302238422 1066759128 /nfs/dbraw/zinc/75/91/28/1066759128.db2.gz KSIDXHLNCBFDOY-OTWHNJEPSA-N 1 1 453.509 3.275 20 0 JGADMO CC(=O)NC1CCC(N(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301807611 1066761415 /nfs/dbraw/zinc/76/14/15/1066761415.db2.gz HVWPYMMBGZLSKK-ZKMFCFPVSA-N 1 1 467.662 3.268 20 0 JGADMO COc1cccc(C[C@H]2CN(C(=O)c3cc(S(C)(=O)=O)c(Cl)cc3Cl)CC[NH2+]2)c1 ZINC001301812140 1066766705 /nfs/dbraw/zinc/76/67/05/1066766705.db2.gz PMDFZTLWTSJMOI-AWEZNQCLSA-N 1 1 457.379 3.062 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001301817356 1066775208 /nfs/dbraw/zinc/77/52/08/1066775208.db2.gz ZPDWOKIPOSSPBQ-FGZHOGPDSA-N 1 1 475.037 3.060 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001301824886 1066787848 /nfs/dbraw/zinc/78/78/48/1066787848.db2.gz PBYMSOJUZGBZFX-VXKWHMMOSA-N 1 1 453.635 3.121 20 0 JGADMO CC(C)(C)OC(=O)NCC(F)(F)Cn1c(Cc2ccncc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001302252011 1066788994 /nfs/dbraw/zinc/78/89/94/1066788994.db2.gz JKSSOWAPJWURRS-IBGZPJMESA-N 1 1 491.587 3.098 20 0 JGADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CC3CCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302252533 1066790040 /nfs/dbraw/zinc/79/00/40/1066790040.db2.gz SYRFTJLLTLVNKN-VXKWHMMOSA-N 1 1 490.693 3.351 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301826323 1066790239 /nfs/dbraw/zinc/79/02/39/1066790239.db2.gz YGBYYAFSQXJYAP-JQVVWYNYSA-N 1 1 475.037 3.233 20 0 JGADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301826325 1066790398 /nfs/dbraw/zinc/79/03/98/1066790398.db2.gz YGBYYAFSQXJYAP-NNMXDRDESA-N 1 1 475.037 3.233 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccn2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302253440 1066793682 /nfs/dbraw/zinc/79/36/82/1066793682.db2.gz KDDQSMIUGLRXTL-FUDKSRODSA-N 1 1 456.635 3.402 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001301830203 1066796049 /nfs/dbraw/zinc/79/60/49/1066796049.db2.gz WGBBGNHHWPZVRR-NRFANRHFSA-N 1 1 485.633 3.010 20 0 JGADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001301830362 1066796521 /nfs/dbraw/zinc/79/65/21/1066796521.db2.gz ZSMCFUUHMKFUKV-REWPJTCUSA-N 1 1 482.032 3.325 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCCC1(F)F ZINC001302261590 1066808561 /nfs/dbraw/zinc/80/85/61/1066808561.db2.gz WKRHUAVNFAUCJG-ZCNNSNEGSA-N 1 1 485.620 3.375 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1CCCCC1(F)F ZINC001302261590 1066808566 /nfs/dbraw/zinc/80/85/66/1066808566.db2.gz WKRHUAVNFAUCJG-ZCNNSNEGSA-N 1 1 485.620 3.375 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCc1ccccc1Cl ZINC001302261741 1066808657 /nfs/dbraw/zinc/80/86/57/1066808657.db2.gz YDGFYEUTUCMNAD-UNMCSNQZSA-N 1 1 492.064 3.445 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCc1ccccc1Cl ZINC001302261741 1066808666 /nfs/dbraw/zinc/80/86/66/1066808666.db2.gz YDGFYEUTUCMNAD-UNMCSNQZSA-N 1 1 492.064 3.445 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001301844241 1066816969 /nfs/dbraw/zinc/81/69/69/1066816969.db2.gz HPJUVIRARCGDGK-UHFFFAOYSA-N 1 1 475.641 3.257 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC[N@H+](C)C(C)C)CC1 ZINC001301844512 1066818055 /nfs/dbraw/zinc/81/80/55/1066818055.db2.gz KNFDUPZRBNNWPE-UHFFFAOYSA-N 1 1 451.619 3.185 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301844920 1066818547 /nfs/dbraw/zinc/81/85/47/1066818547.db2.gz MQIZTLYYMIXTRX-OYRHEFFESA-N 1 1 482.673 3.170 20 0 JGADMO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301845282 1066819160 /nfs/dbraw/zinc/81/91/60/1066819160.db2.gz PZYFENFGOKSCJQ-KRWDZBQOSA-N 1 1 459.664 3.003 20 0 JGADMO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301846823 1066820902 /nfs/dbraw/zinc/82/09/02/1066820902.db2.gz LMYJAUGEFXTBGL-RTWAWAEBSA-N 1 1 468.646 3.391 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302271992 1066830807 /nfs/dbraw/zinc/83/08/07/1066830807.db2.gz FNQQZMUDRQINFH-OKYOBFRVSA-N 1 1 489.583 3.280 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302272459 1066831298 /nfs/dbraw/zinc/83/12/98/1066831298.db2.gz HFEQLEWCHBIMKV-WIYBCGNWSA-N 1 1 463.667 3.374 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001301854039 1066832881 /nfs/dbraw/zinc/83/28/81/1066832881.db2.gz SHESNIVIJGHDMV-QUCCMNQESA-N 1 1 474.053 3.466 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC001301856713 1066838281 /nfs/dbraw/zinc/83/82/81/1066838281.db2.gz JYUPMNRCMLXRDR-AABGKKOBSA-N 1 1 462.639 3.428 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC001301856713 1066838290 /nfs/dbraw/zinc/83/82/90/1066838290.db2.gz JYUPMNRCMLXRDR-AABGKKOBSA-N 1 1 462.639 3.428 20 0 JGADMO COCCN1C[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1=O ZINC001301861303 1066847301 /nfs/dbraw/zinc/84/73/01/1066847301.db2.gz URODMIXGWLJQKU-LJQANCHMSA-N 1 1 489.064 3.404 20 0 JGADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(I)c1O ZINC001302280738 1066848662 /nfs/dbraw/zinc/84/86/62/1066848662.db2.gz HBBRHUFCLUNBOL-GDBMZVCRSA-N 1 1 450.320 3.495 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(I)c1O ZINC001302280738 1066848666 /nfs/dbraw/zinc/84/86/66/1066848666.db2.gz HBBRHUFCLUNBOL-GDBMZVCRSA-N 1 1 450.320 3.495 20 0 JGADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(I)cc1O ZINC001302280430 1066848706 /nfs/dbraw/zinc/84/87/06/1066848706.db2.gz DNNOKXUOMTYEQX-GOEBONIOSA-N 1 1 450.320 3.495 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301862940 1066850184 /nfs/dbraw/zinc/85/01/84/1066850184.db2.gz DTJZXKVWCAWNMX-PMVMPFDFSA-N 1 1 460.667 3.037 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302282354 1066851014 /nfs/dbraw/zinc/85/10/14/1066851014.db2.gz VXIDMMXAQUTRCQ-LJQANCHMSA-N 1 1 462.639 3.150 20 0 JGADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302282354 1066851019 /nfs/dbraw/zinc/85/10/19/1066851019.db2.gz VXIDMMXAQUTRCQ-LJQANCHMSA-N 1 1 462.639 3.150 20 0 JGADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001301863376 1066851343 /nfs/dbraw/zinc/85/13/43/1066851343.db2.gz HDBPQTIHTDYLKE-QDSKXPNFSA-N 1 1 468.646 3.045 20 0 JGADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001302283577 1066852973 /nfs/dbraw/zinc/85/29/73/1066852973.db2.gz YJHYSSUPXIRZQH-HKUYNNGSSA-N 1 1 453.587 3.201 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCc1c(C)noc1C ZINC001302284270 1066854562 /nfs/dbraw/zinc/85/45/62/1066854562.db2.gz OVFLFCJWNDEBJZ-GMAHTHKFSA-N 1 1 474.650 3.406 20 0 JGADMO CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001301866295 1066857460 /nfs/dbraw/zinc/85/74/60/1066857460.db2.gz BQMNKXIUMZRMPW-ISBMVONUSA-N 1 1 451.611 3.379 20 0 JGADMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001301870114 1066861425 /nfs/dbraw/zinc/86/14/25/1066861425.db2.gz YCQUSJJTCFYOSS-LLGFUMIMSA-N 1 1 450.004 3.034 20 0 JGADMO CC(=O)NC[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001301872804 1066869397 /nfs/dbraw/zinc/86/93/97/1066869397.db2.gz OYBJKNOUYVJHTD-RPWUZVMVSA-N 1 1 482.673 3.373 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[C@@H]2CCCCO2)CC1 ZINC001301874168 1066874721 /nfs/dbraw/zinc/87/47/21/1066874721.db2.gz GSJKZLTYMZLJRN-QHCPKHFHSA-N 1 1 484.645 3.265 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC001301874159 1066874844 /nfs/dbraw/zinc/87/48/44/1066874844.db2.gz GNKDSBYRZZPCQR-UHFFFAOYSA-N 1 1 465.646 3.254 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2C)C[C@@H]1C ZINC001301874131 1066874856 /nfs/dbraw/zinc/87/48/56/1066874856.db2.gz FVRHGHRRLZHBKO-KRWDZBQOSA-N 1 1 484.004 3.092 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2C)C[C@@H]1C ZINC001301874131 1066874862 /nfs/dbraw/zinc/87/48/62/1066874862.db2.gz FVRHGHRRLZHBKO-KRWDZBQOSA-N 1 1 484.004 3.092 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301874623 1066875536 /nfs/dbraw/zinc/87/55/36/1066875536.db2.gz KJOAZKUOGGZKMQ-RBUKOAKNSA-N 1 1 452.644 3.061 20 0 JGADMO COCCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001301874591 1066875562 /nfs/dbraw/zinc/87/55/62/1066875562.db2.gz JXCYBSCHCHGINJ-FPOVZHCZSA-N 1 1 460.692 3.489 20 0 JGADMO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301875142 1066876284 /nfs/dbraw/zinc/87/62/84/1066876284.db2.gz RZRODVKNQFHNCK-NZQKXSOJSA-N 1 1 497.688 3.036 20 0 JGADMO COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001301876023 1066877324 /nfs/dbraw/zinc/87/73/24/1066877324.db2.gz XJPGFKOZKGSLJZ-UHFFFAOYSA-N 1 1 464.614 3.366 20 0 JGADMO COCCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001301877185 1066879011 /nfs/dbraw/zinc/87/90/11/1066879011.db2.gz JZGAAVBOSZQXIM-SJBKTWHCSA-N 1 1 458.651 3.142 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001301877265 1066879610 /nfs/dbraw/zinc/87/96/10/1066879610.db2.gz LJZXMHKMTMBZMT-DBXWQHBBSA-N 1 1 464.010 3.265 20 0 JGADMO COCCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301877253 1066879726 /nfs/dbraw/zinc/87/97/26/1066879726.db2.gz LENUNPDFJKVCFG-HSZRJFAPSA-N 1 1 468.646 3.065 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001302301243 1066886076 /nfs/dbraw/zinc/88/60/76/1066886076.db2.gz XHJIMTCYPBHLEJ-UHFFFAOYSA-N 1 1 456.635 3.159 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001302301243 1066886082 /nfs/dbraw/zinc/88/60/82/1066886082.db2.gz XHJIMTCYPBHLEJ-UHFFFAOYSA-N 1 1 456.635 3.159 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001301880472 1066885926 /nfs/dbraw/zinc/88/59/26/1066885926.db2.gz WVRICCVBAUALME-FQEVSTJZSA-N 1 1 482.673 3.316 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001301880472 1066885936 /nfs/dbraw/zinc/88/59/36/1066885936.db2.gz WVRICCVBAUALME-FQEVSTJZSA-N 1 1 482.673 3.316 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001301881163 1066887699 /nfs/dbraw/zinc/88/76/99/1066887699.db2.gz CGHHVEONRQVZSI-YLJYHZDGSA-N 1 1 478.435 3.027 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CCOC)CC2)C[C@H]1C ZINC001301881640 1066888315 /nfs/dbraw/zinc/88/83/15/1066888315.db2.gz GSPUVBDEUNDUJE-MRXNPFEDSA-N 1 1 481.439 3.009 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)COC)C[C@@H]1C ZINC001301881687 1066888420 /nfs/dbraw/zinc/88/84/20/1066888420.db2.gz HGBLMLBHJPEWHP-IRXDYDNUSA-N 1 1 466.424 3.147 20 0 JGADMO COCCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@@H+](C)C(C)C)CC1=O ZINC001301882089 1066889732 /nfs/dbraw/zinc/88/97/32/1066889732.db2.gz MAOZFYCRTCXQAM-UHFFFAOYSA-N 1 1 491.061 3.448 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001301882074 1066889944 /nfs/dbraw/zinc/88/99/44/1066889944.db2.gz LBXNUGLMPZGOCK-INIZCTEOSA-N 1 1 491.061 3.495 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC2(C)C)C[C@@H]1C ZINC001301882734 1066890858 /nfs/dbraw/zinc/89/08/58/1066890858.db2.gz SQIMBTYTROPQMS-JKSUJKDBSA-N 1 1 465.440 3.249 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001301883051 1066891688 /nfs/dbraw/zinc/89/16/88/1066891688.db2.gz VLBBROSSONZETI-QFIPXVFZSA-N 1 1 462.019 3.336 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001301883420 1066891744 /nfs/dbraw/zinc/89/17/44/1066891744.db2.gz WVEKBZYEGLYPHY-SIBVEZHUSA-N 1 1 487.645 3.060 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCS2)CC1 ZINC001301884822 1066893462 /nfs/dbraw/zinc/89/34/62/1066893462.db2.gz COVDNGJTMTUHOZ-AWEZNQCLSA-N 1 1 472.478 3.433 20 0 JGADMO CC(C)(C)OC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001302305790 1066895294 /nfs/dbraw/zinc/89/52/94/1066895294.db2.gz HLPRCDJDOGQWKR-UHFFFAOYSA-N 1 1 472.659 3.315 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301885872 1066895431 /nfs/dbraw/zinc/89/54/31/1066895431.db2.gz AQRYQJFMQLCFPB-REWPJTCUSA-N 1 1 460.667 3.179 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccn(C)n2)C[C@H]1C ZINC001301886546 1066897835 /nfs/dbraw/zinc/89/78/35/1066897835.db2.gz ARGZCJXHLFGQRQ-OAHLLOKOSA-N 1 1 464.401 3.191 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2csc(COC)n2)CC1 ZINC001301886634 1066898054 /nfs/dbraw/zinc/89/80/54/1066898054.db2.gz CLBIMCOQBXNLJY-UHFFFAOYSA-N 1 1 480.997 3.157 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001301887009 1066898945 /nfs/dbraw/zinc/89/89/45/1066898945.db2.gz FWIAREKTGZDQBS-HNAYVOBHSA-N 1 1 495.455 3.324 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301886953 1066899062 /nfs/dbraw/zinc/89/90/62/1066899062.db2.gz NFZURYBVRGMLCS-OFNKIYASSA-N 1 1 460.667 3.384 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001301887008 1066899075 /nfs/dbraw/zinc/89/90/75/1066899075.db2.gz FWIAREKTGZDQBS-DNVCBOLYSA-N 1 1 495.455 3.324 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001301887014 1066899127 /nfs/dbraw/zinc/89/91/27/1066899127.db2.gz FYSDCMNKRURJNC-CVEARBPZSA-N 1 1 455.434 3.359 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001301887010 1066899166 /nfs/dbraw/zinc/89/91/66/1066899166.db2.gz FWIAREKTGZDQBS-KXBFYZLASA-N 1 1 495.455 3.324 20 0 JGADMO CC(=O)NCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301886955 1066899179 /nfs/dbraw/zinc/89/91/79/1066899179.db2.gz NFZURYBVRGMLCS-REWPJTCUSA-N 1 1 460.667 3.384 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001301887125 1066899540 /nfs/dbraw/zinc/89/95/40/1066899540.db2.gz GKDSPHPYUOXLKE-SFHVURJKSA-N 1 1 466.634 3.069 20 0 JGADMO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001301887125 1066899544 /nfs/dbraw/zinc/89/95/44/1066899544.db2.gz GKDSPHPYUOXLKE-SFHVURJKSA-N 1 1 466.634 3.069 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001301887125 1066899550 /nfs/dbraw/zinc/89/95/50/1066899550.db2.gz GKDSPHPYUOXLKE-SFHVURJKSA-N 1 1 466.634 3.069 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2=CCCOC2)C[C@H]1C ZINC001301887244 1066900327 /nfs/dbraw/zinc/90/03/27/1066900327.db2.gz GOWNQFIKXVOKLQ-QGZVFWFLSA-N 1 1 461.994 3.111 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)N2CCCCC2)C[C@H]1C ZINC001301887350 1066900958 /nfs/dbraw/zinc/90/09/58/1066900958.db2.gz JEIQJGNSZLXFET-GOSISDBHSA-N 1 1 493.027 3.297 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001301887307 1066901048 /nfs/dbraw/zinc/90/10/48/1066901048.db2.gz IMXIVSVBPWCGOX-PZJWPPBQSA-N 1 1 463.026 3.213 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCCO2)C[C@H]1C ZINC001301887833 1066902163 /nfs/dbraw/zinc/90/21/63/1066902163.db2.gz LRYAINURJDUKBE-IEBWSBKVSA-N 1 1 464.010 3.333 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOC(C)C)CC1 ZINC001301888413 1066903910 /nfs/dbraw/zinc/90/39/10/1066903910.db2.gz ODDWLHXEWFQLGA-UHFFFAOYSA-N 1 1 466.424 3.209 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCOCC2)C[C@@H]1C ZINC001301889179 1066906144 /nfs/dbraw/zinc/90/61/44/1066906144.db2.gz WLWVPFGKQNUPMH-INIZCTEOSA-N 1 1 496.425 3.430 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CC=CCO2)C[C@H]1C ZINC001301889227 1066906678 /nfs/dbraw/zinc/90/66/78/1066906678.db2.gz XSJATPZAJCTYAS-IRLDBZIGSA-N 1 1 485.629 3.243 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)nc2)C[C@H]1C ZINC001301889246 1066906752 /nfs/dbraw/zinc/90/67/52/1066906752.db2.gz YIPOXIOQJAHWCV-OAHLLOKOSA-N 1 1 462.385 3.247 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001301889266 1066906889 /nfs/dbraw/zinc/90/68/89/1066906889.db2.gz YWIWQZBFKWAQCH-FQEVSTJZSA-N 1 1 464.010 3.191 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)C[C@@H]1C ZINC001301889406 1066907427 /nfs/dbraw/zinc/90/74/27/1066907427.db2.gz XJDGIKICNRRPFO-SFHVURJKSA-N 1 1 470.021 3.265 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSCC(C)C)C[C@H]1C ZINC001301889581 1066907788 /nfs/dbraw/zinc/90/77/88/1066907788.db2.gz BZPLMTRRUVHJHQ-GOSISDBHSA-N 1 1 461.632 3.220 20 0 JGADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1CCC(C)C ZINC001302312618 1066907991 /nfs/dbraw/zinc/90/79/91/1066907991.db2.gz YQRFYHMUJMBLPJ-GMAHTHKFSA-N 1 1 457.619 3.379 20 0 JGADMO CC(=O)NCC1CCN(c2nnc(Cc3ccccn3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001301889752 1066908781 /nfs/dbraw/zinc/90/87/81/1066908781.db2.gz DLAAOHBRWNDHFU-UHFFFAOYSA-N 1 1 467.662 3.271 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@](C)(O)C(C)C)C[C@@H]1C ZINC001301889814 1066909182 /nfs/dbraw/zinc/90/91/82/1066909182.db2.gz CZIKEZOFGHFCSK-DFBJGRDBSA-N 1 1 452.603 3.057 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001301895835 1066916541 /nfs/dbraw/zinc/91/65/41/1066916541.db2.gz APUHISMVAUVOMJ-FCHUYYIVSA-N 1 1 470.662 3.375 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001301895835 1066916553 /nfs/dbraw/zinc/91/65/53/1066916553.db2.gz APUHISMVAUVOMJ-FCHUYYIVSA-N 1 1 470.662 3.375 20 0 JGADMO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302320088 1066916504 /nfs/dbraw/zinc/91/65/04/1066916504.db2.gz CJDXHCJMYZJTAH-DHYKOVJISA-N 1 1 473.687 3.432 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001301895837 1066916602 /nfs/dbraw/zinc/91/66/02/1066916602.db2.gz APUHISMVAUVOMJ-VXKWHMMOSA-N 1 1 470.662 3.375 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001301895837 1066916614 /nfs/dbraw/zinc/91/66/14/1066916614.db2.gz APUHISMVAUVOMJ-VXKWHMMOSA-N 1 1 470.662 3.375 20 0 JGADMO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302320091 1066917120 /nfs/dbraw/zinc/91/71/20/1066917120.db2.gz CJDXHCJMYZJTAH-ULKXQASOSA-N 1 1 473.687 3.432 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2c(F)cccc2SC)C[C@@H]1C ZINC001301896179 1066918160 /nfs/dbraw/zinc/91/81/60/1066918160.db2.gz OYONSHCRSKMPNY-KRWDZBQOSA-N 1 1 456.591 3.406 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001301896278 1066918821 /nfs/dbraw/zinc/91/88/21/1066918821.db2.gz IAJJLNPGHOJODN-KOSHJBKYSA-N 1 1 471.627 3.080 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001301897443 1066921464 /nfs/dbraw/zinc/92/14/64/1066921464.db2.gz WOZRNAJKWIKMJI-HXUWFJFHSA-N 1 1 472.609 3.034 20 0 JGADMO COCCN1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001301897406 1066921510 /nfs/dbraw/zinc/92/15/10/1066921510.db2.gz VYUSRMSOGOUOJK-NRFANRHFSA-N 1 1 458.626 3.363 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)Cc2ccc(OC)cc2)C[C@H]1C ZINC001301897780 1066921908 /nfs/dbraw/zinc/92/19/08/1066921908.db2.gz ARHXGKBFKSCBPL-WOJBJXKFSA-N 1 1 452.603 3.318 20 0 JGADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001301898480 1066922661 /nfs/dbraw/zinc/92/26/61/1066922661.db2.gz FHNPFNAKCXJEGB-OAQYLSRUSA-N 1 1 488.702 3.347 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC001301898765 1066923035 /nfs/dbraw/zinc/92/30/35/1066923035.db2.gz OVHGDEUXLLEYCS-MRXNPFEDSA-N 1 1 464.492 3.377 20 0 JGADMO CC(C)(C)[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302325603 1066925504 /nfs/dbraw/zinc/92/55/04/1066925504.db2.gz BYDMYQAQKVTCCA-JGCGQSQUSA-N 1 1 465.614 3.369 20 0 JGADMO COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(Cl)ccc2OC)CC1 ZINC001301900694 1066925803 /nfs/dbraw/zinc/92/58/03/1066925803.db2.gz MEXTYXPWGHDULY-UHFFFAOYSA-N 1 1 456.978 3.127 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCSC(F)(F)F)C[C@@H]1C ZINC001301902475 1066927688 /nfs/dbraw/zinc/92/76/88/1066927688.db2.gz WXDGODUFOAZRNB-AWEZNQCLSA-N 1 1 497.547 3.004 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001301909451 1066933057 /nfs/dbraw/zinc/93/30/57/1066933057.db2.gz BNBKWUMLVMZTME-GOSISDBHSA-N 1 1 498.031 3.081 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC001301909491 1066933575 /nfs/dbraw/zinc/93/35/75/1066933575.db2.gz QJIJZBALJFNYBH-FQEVSTJZSA-N 1 1 451.619 3.258 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC001301909492 1066933729 /nfs/dbraw/zinc/93/37/29/1066933729.db2.gz QJIJZBALJFNYBH-HXUWFJFHSA-N 1 1 451.619 3.258 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(N3CCCCC3)c2)C[C@@H]1C ZINC001301909935 1066934088 /nfs/dbraw/zinc/93/40/88/1066934088.db2.gz SWQSXWMXRFKGKX-NRFANRHFSA-N 1 1 469.678 3.457 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)c2ccccn2)CC1 ZINC001301910917 1066935710 /nfs/dbraw/zinc/93/57/10/1066935710.db2.gz KNAVXRQTKPZKAD-UHFFFAOYSA-N 1 1 470.568 3.288 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)C[C@H]1C ZINC001301910832 1066935969 /nfs/dbraw/zinc/93/59/69/1066935969.db2.gz IZKPWTNCMZMKPP-UXHICEINSA-N 1 1 466.671 3.183 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2csc([C@H](C)OC)n2)C[C@@H]1C ZINC001301910945 1066936378 /nfs/dbraw/zinc/93/63/78/1066936378.db2.gz KYMOBFGFJCTQMF-IRXDYDNUSA-N 1 1 450.653 3.236 20 0 JGADMO CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2)CC1)C(F)(F)F ZINC001302338076 1066937165 /nfs/dbraw/zinc/93/71/65/1066937165.db2.gz FQXNLAWIQGQCAN-GOSISDBHSA-N 1 1 480.535 3.019 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Cc2ccc(OC)cc2)C[C@@H]1C ZINC001301911960 1066937454 /nfs/dbraw/zinc/93/74/54/1066937454.db2.gz IVCPDOGGMUKHOC-QNWVGRARSA-N 1 1 471.646 3.216 20 0 JGADMO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001301911973 1066938571 /nfs/dbraw/zinc/93/85/71/1066938571.db2.gz JABYNOZOBJLWHK-VJBMBRPKSA-N 1 1 474.625 3.119 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ncccc2C)C[C@H]1C ZINC001301912399 1066939087 /nfs/dbraw/zinc/93/90/87/1066939087.db2.gz QKXWRWHQNFWPNI-GOSISDBHSA-N 1 1 456.541 3.056 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001301912656 1066940168 /nfs/dbraw/zinc/94/01/68/1066940168.db2.gz LWUOMWLZSZUISV-FXAWDEMLSA-N 1 1 482.551 3.333 20 0 JGADMO CC(C)(Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC001302342060 1066940399 /nfs/dbraw/zinc/94/03/99/1066940399.db2.gz OTTUSLXLMZARBF-SFHVURJKSA-N 1 1 452.525 3.011 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS2)C[C@@H]1C ZINC001301913163 1066941251 /nfs/dbraw/zinc/94/12/51/1066941251.db2.gz UTAIOQLWRNOSOK-IRXDYDNUSA-N 1 1 451.587 3.200 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001301914558 1066944023 /nfs/dbraw/zinc/94/40/23/1066944023.db2.gz RBRQBKFIEHURBF-QIJUGHKUSA-N 1 1 492.615 3.258 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001301915652 1066945879 /nfs/dbraw/zinc/94/58/79/1066945879.db2.gz TVJOWKRMVIFQOE-PKOBYXMFSA-N 1 1 467.536 3.396 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001301915646 1066945986 /nfs/dbraw/zinc/94/59/86/1066945986.db2.gz TVJOWKRMVIFQOE-HKUYNNGSSA-N 1 1 467.536 3.396 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccccc2OC(F)F)CC1 ZINC001301916192 1066946288 /nfs/dbraw/zinc/94/62/88/1066946288.db2.gz WOGJUMVLYRPFIW-HXUWFJFHSA-N 1 1 465.545 3.132 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001301916517 1066946961 /nfs/dbraw/zinc/94/69/61/1066946961.db2.gz XTEKRIHVGSKULK-FXAWDEMLSA-N 1 1 494.036 3.396 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001301918450 1066949223 /nfs/dbraw/zinc/94/92/23/1066949223.db2.gz CEKAARVMSAYAFS-ZCYQVOJMSA-N 1 1 468.690 3.455 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCc2sc(C)nc2C)C[C@H]1C ZINC001301918870 1066950423 /nfs/dbraw/zinc/95/04/23/1066950423.db2.gz DTHCOCKOAYZCSP-GOSISDBHSA-N 1 1 484.670 3.350 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC001301919348 1066951614 /nfs/dbraw/zinc/95/16/14/1066951614.db2.gz RKPOIUNLXWBNAU-CVDCTZTESA-N 1 1 485.032 3.462 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC(F)(F)F)CC1 ZINC001301919576 1066951714 /nfs/dbraw/zinc/95/17/14/1066951714.db2.gz IMNICNXWOVCJHX-UHFFFAOYSA-N 1 1 461.916 3.217 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001301919698 1066952124 /nfs/dbraw/zinc/95/21/24/1066952124.db2.gz JWPCRGZJEDRTKE-KRWDZBQOSA-N 1 1 488.986 3.173 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301920000 1066952689 /nfs/dbraw/zinc/95/26/89/1066952689.db2.gz LTVJSUMOAHQHAT-NFBKMPQASA-N 1 1 472.653 3.285 20 0 JGADMO COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301920000 1066952700 /nfs/dbraw/zinc/95/27/00/1066952700.db2.gz LTVJSUMOAHQHAT-NFBKMPQASA-N 1 1 472.653 3.285 20 0 JGADMO COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001301920013 1066952927 /nfs/dbraw/zinc/95/29/27/1066952927.db2.gz LVUDWWMSONOZBT-UHFFFAOYSA-N 1 1 474.531 3.408 20 0 JGADMO COCCN1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1=O ZINC001301920844 1066953892 /nfs/dbraw/zinc/95/38/92/1066953892.db2.gz DEPFTYSFRNVZOK-JOCHJYFZSA-N 1 1 489.064 3.262 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC001301922940 1066956939 /nfs/dbraw/zinc/95/69/39/1066956939.db2.gz NFUSUAYVYNNGEG-QGZVFWFLSA-N 1 1 459.591 3.283 20 0 JGADMO CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001301925009 1066958362 /nfs/dbraw/zinc/95/83/62/1066958362.db2.gz WQMOZHMMUORIQF-XZOQPEGZSA-N 1 1 454.619 3.004 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001301926181 1066959423 /nfs/dbraw/zinc/95/94/23/1066959423.db2.gz ANIMSBLYQRPQTK-QHCPKHFHSA-N 1 1 465.646 3.270 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC001301926374 1066959522 /nfs/dbraw/zinc/95/95/22/1066959522.db2.gz DFWDPZJDZDJPKU-IBGZPJMESA-N 1 1 488.036 3.007 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301926398 1066959614 /nfs/dbraw/zinc/95/96/14/1066959614.db2.gz FFCQCOLPSAYBFL-ACHVPNTGSA-N 1 1 455.647 3.425 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCOC[C@@H]2C)C[C@H]1C ZINC001301926841 1066959973 /nfs/dbraw/zinc/95/99/73/1066959973.db2.gz NKJTTWMUQOREDR-ZDXQCDESSA-N 1 1 455.647 3.283 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)c2nccs2)C[C@@H]1C ZINC001301926896 1066960124 /nfs/dbraw/zinc/96/01/24/1066960124.db2.gz PDJQOECAFGPMTP-PMACEKPBSA-N 1 1 454.644 3.480 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(F)cn2)C[C@@H]1C ZINC001301927130 1066960482 /nfs/dbraw/zinc/96/04/82/1066960482.db2.gz WQYBBNVGLUMTEB-FQEVSTJZSA-N 1 1 452.578 3.193 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(F)cn2)C[C@H]1C ZINC001301927131 1066960518 /nfs/dbraw/zinc/96/05/18/1066960518.db2.gz WQYBBNVGLUMTEB-HXUWFJFHSA-N 1 1 452.578 3.193 20 0 JGADMO COCC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001301926979 1066961019 /nfs/dbraw/zinc/96/10/19/1066961019.db2.gz RDJXPURBCGILBZ-NRFANRHFSA-N 1 1 473.687 3.372 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC001301927328 1066961196 /nfs/dbraw/zinc/96/11/96/1066961196.db2.gz BWZWZGPYMFHVCR-SANMLTNESA-N 1 1 483.613 3.051 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001301927267 1066961524 /nfs/dbraw/zinc/96/15/24/1066961524.db2.gz ANTPPNTUXDEXHW-UHFFFAOYSA-N 1 1 487.555 3.018 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2OCCC2(C)C)C[C@H]1C ZINC001301927299 1066961568 /nfs/dbraw/zinc/96/15/68/1066961568.db2.gz BHJQAUOVXOIBPA-IFMALSPDSA-N 1 1 457.619 3.138 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2sc(C)nc2C)C[C@H]1C ZINC001301927386 1066961847 /nfs/dbraw/zinc/96/18/47/1066961847.db2.gz DTHFNCDYVGGCRK-GOSISDBHSA-N 1 1 470.643 3.444 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCSC2)CC1 ZINC001301927552 1066962591 /nfs/dbraw/zinc/96/25/91/1066962591.db2.gz JDSRYYHEIOBAOR-NRFANRHFSA-N 1 1 459.660 3.386 20 0 JGADMO CC(C)=CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001302377896 1066963139 /nfs/dbraw/zinc/96/31/39/1066963139.db2.gz RTEIWBVGIJJDKC-UHFFFAOYSA-N 1 1 474.675 3.472 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CCc2nc(C)c(C)s2)CC1 ZINC001301927781 1066963886 /nfs/dbraw/zinc/96/38/86/1066963886.db2.gz NTCMKRWDZBHANG-UHFFFAOYSA-N 1 1 470.643 3.250 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001301927866 1066964409 /nfs/dbraw/zinc/96/44/09/1066964409.db2.gz OSNIEQDGWZYCMB-WIOPSUGQSA-N 1 1 471.646 3.303 20 0 JGADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001301927862 1066964680 /nfs/dbraw/zinc/96/46/80/1066964680.db2.gz OSNIEQDGWZYCMB-RCZVLFRGSA-N 1 1 471.646 3.303 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2OCC[C@H]2C)C[C@@H]1C ZINC001301931133 1066968577 /nfs/dbraw/zinc/96/85/77/1066968577.db2.gz BLUMKQVHBSATLC-LVCYWYKZSA-N 1 1 464.010 3.092 20 0 JGADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)CCC(C)C)CC1 ZINC001301931581 1066969303 /nfs/dbraw/zinc/96/93/03/1066969303.db2.gz FQCXGPXGROCQFG-DNRQZRRGSA-N 1 1 465.683 3.152 20 0 JGADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](OC)C(C)(C)C)C[C@@H]1C ZINC001301931609 1066969832 /nfs/dbraw/zinc/96/98/32/1066969832.db2.gz GZTYGFWWHCKFSZ-JSXRDJHFSA-N 1 1 465.683 3.415 20 0 JGADMO COCC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H](O)C2)C[C@H]1C ZINC001301933450 1066972868 /nfs/dbraw/zinc/97/28/68/1066972868.db2.gz NEBODIZENVLSMM-NJYVYQBISA-N 1 1 489.686 3.287 20 0 JGADMO CC(C)C(=O)N1CCCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001302393542 1066973378 /nfs/dbraw/zinc/97/33/78/1066973378.db2.gz KPCYQXNLDOUCRC-UHFFFAOYSA-N 1 1 453.635 3.157 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001301937248 1066980326 /nfs/dbraw/zinc/98/03/26/1066980326.db2.gz KJFHKPJYWURXCS-QPTUXGOLSA-N 1 1 482.673 3.434 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001302403538 1066984085 /nfs/dbraw/zinc/98/40/85/1066984085.db2.gz KAHRBFKFTKFMIU-SFHVURJKSA-N 1 1 475.037 3.298 20 0 JGADMO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1OC ZINC001302405960 1066987616 /nfs/dbraw/zinc/98/76/16/1066987616.db2.gz NDAPPFCBARXSGM-BDTNDASRSA-N 1 1 484.645 3.118 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001301940865 1066987792 /nfs/dbraw/zinc/98/77/92/1066987792.db2.gz KYQHOLNKAPJNTJ-YADHBBJMSA-N 1 1 488.702 3.415 20 0 JGADMO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301942783 1066992207 /nfs/dbraw/zinc/99/22/07/1066992207.db2.gz NTCQXMIDOMHNIA-KCZVDYSFSA-N 1 1 474.694 3.109 20 0 JGADMO CC(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001301943745 1066994551 /nfs/dbraw/zinc/99/45/51/1066994551.db2.gz GQKNHDDKMSJEQH-STZQEDGTSA-N 1 1 460.667 3.034 20 0 JGADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301944831 1066997422 /nfs/dbraw/zinc/99/74/22/1066997422.db2.gz NOCWJPJMKGDKLN-UHFFFAOYSA-N 1 1 462.664 3.025 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001302417909 1067001304 /nfs/dbraw/zinc/00/13/04/1067001304.db2.gz BHQLBCJNURSOCK-RBUKOAKNSA-N 1 1 472.609 3.220 20 0 JGADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001302417960 1067001707 /nfs/dbraw/zinc/00/17/07/1067001707.db2.gz CJQYRNWNBYEZOS-CIAFKFPVSA-N 1 1 474.694 3.422 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001302420517 1067005996 /nfs/dbraw/zinc/00/59/96/1067005996.db2.gz FPORRKAHANPNMA-UHFFFAOYSA-N 1 1 479.604 3.352 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302422064 1067008322 /nfs/dbraw/zinc/00/83/22/1067008322.db2.gz FZTYRTVXVHIYHW-NHCUHLMSSA-N 1 1 460.667 3.034 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001302422234 1067008588 /nfs/dbraw/zinc/00/85/88/1067008588.db2.gz WPANPOGQVHEEOM-UHFFFAOYSA-N 1 1 493.027 3.201 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001302422520 1067009340 /nfs/dbraw/zinc/00/93/40/1067009340.db2.gz OHXIAXSLJZUTEO-NHCUHLMSSA-N 1 1 460.667 3.381 20 0 JGADMO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1OC ZINC001302425742 1067010942 /nfs/dbraw/zinc/01/09/42/1067010942.db2.gz OMAHLEOTIKVBNR-UKIRVEGOSA-N 1 1 477.694 3.415 20 0 JGADMO CC1(C)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001303958485 1067013133 /nfs/dbraw/zinc/01/31/33/1067013133.db2.gz DPGMWJXHDSGIMW-IBGZPJMESA-N 1 1 474.675 3.133 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCS(=O)CC2)C1 ZINC001303960605 1067015198 /nfs/dbraw/zinc/01/51/98/1067015198.db2.gz VLQSOKNQEPIRGO-UHFFFAOYSA-N 1 1 454.015 3.428 20 0 JGADMO CC1(C)CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001303963219 1067016395 /nfs/dbraw/zinc/01/63/95/1067016395.db2.gz RFCRIHAYGYTOCI-UHFFFAOYSA-N 1 1 497.585 3.408 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[N@H+](C)C(C)C)C1 ZINC001302430891 1067018342 /nfs/dbraw/zinc/01/83/42/1067018342.db2.gz DSNLWBQPWKAJIF-FQEVSTJZSA-N 1 1 484.645 3.045 20 0 JGADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001303967697 1067019136 /nfs/dbraw/zinc/01/91/36/1067019136.db2.gz DWRBAYNCWWPRJB-IBGZPJMESA-N 1 1 474.675 3.395 20 0 JGADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001302431530 1067019532 /nfs/dbraw/zinc/01/95/32/1067019532.db2.gz KYKKRPDDXUZBME-HSZRJFAPSA-N 1 1 477.657 3.404 20 0 JGADMO CC1(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CCS1 ZINC001303968542 1067020325 /nfs/dbraw/zinc/02/03/25/1067020325.db2.gz KWGQXCZQAGYWIJ-UHFFFAOYSA-N 1 1 475.062 3.455 20 0 JGADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001302431950 1067020470 /nfs/dbraw/zinc/02/04/70/1067020470.db2.gz WEDLURABBPTMIJ-UHFFFAOYSA-N 1 1 467.662 3.269 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302432640 1067022328 /nfs/dbraw/zinc/02/23/28/1067022328.db2.gz CUGUQKPVQAWOSE-NRFANRHFSA-N 1 1 488.702 3.030 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302432640 1067022344 /nfs/dbraw/zinc/02/23/44/1067022344.db2.gz CUGUQKPVQAWOSE-NRFANRHFSA-N 1 1 488.702 3.030 20 0 JGADMO CC1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CC(C)(C)O1 ZINC001303974994 1067023793 /nfs/dbraw/zinc/02/37/93/1067023793.db2.gz SCMKZAMDUNFNAS-GOSISDBHSA-N 1 1 477.600 3.388 20 0 JGADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001302433276 1067023812 /nfs/dbraw/zinc/02/38/12/1067023812.db2.gz JHSCNEMHVWUVIS-VJBWXMMDSA-N 1 1 474.694 3.425 20 0 JGADMO CC(C)(C)c1ccc(OCc2nnc(N3CCOCC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001303979875 1067026995 /nfs/dbraw/zinc/02/69/95/1067026995.db2.gz NVDCFBZPEFUWPT-UHFFFAOYSA-N 1 1 457.619 3.102 20 0 JGADMO CC(C)(C)c1ccc(OCc2nnc(N3CCOCC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001303979875 1067027009 /nfs/dbraw/zinc/02/70/09/1067027009.db2.gz NVDCFBZPEFUWPT-UHFFFAOYSA-N 1 1 457.619 3.102 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001303981756 1067029642 /nfs/dbraw/zinc/02/96/42/1067029642.db2.gz RFNDKEVHRKTCCW-VWLOTQADSA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001303981756 1067029655 /nfs/dbraw/zinc/02/96/55/1067029655.db2.gz RFNDKEVHRKTCCW-VWLOTQADSA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001303981755 1067029749 /nfs/dbraw/zinc/02/97/49/1067029749.db2.gz RFNDKEVHRKTCCW-RUZDIDTESA-N 1 1 456.635 3.016 20 0 JGADMO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001303981755 1067029761 /nfs/dbraw/zinc/02/97/61/1067029761.db2.gz RFNDKEVHRKTCCW-RUZDIDTESA-N 1 1 456.635 3.016 20 0 JGADMO C[C@]1([NH+]2CCOCC2)CCN(c2nnc(CCc3ccccc3)n2CC(F)(F)Br)C1 ZINC001303997667 1067039183 /nfs/dbraw/zinc/03/91/83/1067039183.db2.gz LFBSTKQCUYOLND-FQEVSTJZSA-N 1 1 484.389 3.352 20 0 JGADMO CC1=C(Br)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001303999159 1067041740 /nfs/dbraw/zinc/04/17/40/1067041740.db2.gz PFPDPSRWCLITRH-NRFANRHFSA-N 1 1 498.372 3.492 20 0 JGADMO Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1c(C)sc(C)c1Br ZINC001304000014 1067043812 /nfs/dbraw/zinc/04/38/12/1067043812.db2.gz VPOXRMSOTIYNGV-PXAZEXFGSA-N 1 1 454.438 3.233 20 0 JGADMO Cc1sc(C)c(Cn2c(C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1Br ZINC001304000016 1067043928 /nfs/dbraw/zinc/04/39/28/1067043928.db2.gz VPOXRMSOTIYNGV-SJKOYZFVSA-N 1 1 454.438 3.233 20 0 JGADMO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001304006326 1067048795 /nfs/dbraw/zinc/04/87/95/1067048795.db2.gz QZCWWZHDBAXWSC-JOCHJYFZSA-N 1 1 486.661 3.134 20 0 JGADMO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001304010243 1067052372 /nfs/dbraw/zinc/05/23/72/1067052372.db2.gz HTUVCNHUDPDIHW-GGAORHGYSA-N 1 1 495.672 3.289 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+](C)C(C)C ZINC001302452654 1067054546 /nfs/dbraw/zinc/05/45/46/1067054546.db2.gz XLMLKEODQOWLAH-UHFFFAOYSA-N 1 1 483.430 3.395 20 0 JGADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001302452735 1067054895 /nfs/dbraw/zinc/05/48/95/1067054895.db2.gz AAQBLULIPPBVOR-QGZVFWFLSA-N 1 1 489.462 3.400 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)c1C ZINC001304013791 1067057431 /nfs/dbraw/zinc/05/74/31/1067057431.db2.gz FLWUCJAPUDMUSI-SIKLNZKXSA-N 1 1 479.629 3.430 20 0 JGADMO CS(=O)(=O)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001302456261 1067057763 /nfs/dbraw/zinc/05/77/63/1067057763.db2.gz OKZSECNZMLBVBT-UHFFFAOYSA-N 1 1 452.024 3.098 20 0 JGADMO CS(=O)(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001302456505 1067058365 /nfs/dbraw/zinc/05/83/65/1067058365.db2.gz TWXAHBNCBLBPCU-UHFFFAOYSA-N 1 1 489.045 3.141 20 0 JGADMO CS(=O)(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001302456505 1067058377 /nfs/dbraw/zinc/05/83/77/1067058377.db2.gz TWXAHBNCBLBPCU-UHFFFAOYSA-N 1 1 489.045 3.141 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC001304018395 1067062018 /nfs/dbraw/zinc/06/20/18/1067062018.db2.gz JDGBXAMFDXSMPT-MQSCRBSSSA-N 1 1 498.672 3.203 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC001304018394 1067062207 /nfs/dbraw/zinc/06/22/07/1067062207.db2.gz JDGBXAMFDXSMPT-FUPPJEDESA-N 1 1 498.672 3.203 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@]2(C)CN(C)C2=O)c1C ZINC001304018447 1067062683 /nfs/dbraw/zinc/06/26/83/1067062683.db2.gz KBUOUWUNJCPKNZ-ZBLYBZFDSA-N 1 1 498.672 3.060 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@]2(C)CN(C)C2=O)c1C ZINC001304018447 1067062694 /nfs/dbraw/zinc/06/26/94/1067062694.db2.gz KBUOUWUNJCPKNZ-ZBLYBZFDSA-N 1 1 498.672 3.060 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(=O)NC(C)C)c1C ZINC001304021270 1067065797 /nfs/dbraw/zinc/06/57/97/1067065797.db2.gz YAMAVYWGGWQGQV-YMPZKCBVSA-N 1 1 498.672 3.107 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC001304023322 1067068498 /nfs/dbraw/zinc/06/84/98/1067068498.db2.gz LOBRFVUFUCAHFN-WWNPGLIZSA-N 1 1 498.672 3.238 20 0 JGADMO Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CCC[NH+]2CCOCC2)c1C ZINC001304026010 1067072759 /nfs/dbraw/zinc/07/27/59/1067072759.db2.gz KTMQNFOGPKZXOH-IFMALSPDSA-N 1 1 457.619 3.372 20 0 JGADMO CC(C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001302470009 1067073801 /nfs/dbraw/zinc/07/38/01/1067073801.db2.gz FIDMUBXFEZTNJT-QHCPKHFHSA-N 1 1 452.647 3.494 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCOC2)c1C ZINC001304027747 1067074908 /nfs/dbraw/zinc/07/49/08/1067074908.db2.gz ZRMYECADOVIZKU-HFZDXXHNSA-N 1 1 471.646 3.497 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC001304028425 1067075567 /nfs/dbraw/zinc/07/55/67/1067075567.db2.gz FNIRQFHOFJHTNI-FCHUYYIVSA-N 1 1 468.646 3.482 20 0 JGADMO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2(O)CCC2)c1C ZINC001304029331 1067077385 /nfs/dbraw/zinc/07/73/85/1067077385.db2.gz LHCLECCEFMQYAT-QFIPXVFZSA-N 1 1 471.646 3.497 20 0 JGADMO CC1=C(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001304029786 1067077788 /nfs/dbraw/zinc/07/77/88/1067077788.db2.gz YDDPMUHQOPWPEW-UXHICEINSA-N 1 1 452.669 3.089 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C)=C(C)C2)n1CC[N@H+](C)C(C)C ZINC001304031052 1067078870 /nfs/dbraw/zinc/07/88/70/1067078870.db2.gz BCQYOWCTXHOWDX-UHFFFAOYSA-N 1 1 459.664 3.433 20 0 JGADMO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302484242 1067083436 /nfs/dbraw/zinc/08/34/36/1067083436.db2.gz FAOCUGADFITKHL-KDURUIRLSA-N 1 1 476.691 3.497 20 0 JGADMO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302484242 1067083449 /nfs/dbraw/zinc/08/34/49/1067083449.db2.gz FAOCUGADFITKHL-KDURUIRLSA-N 1 1 476.691 3.497 20 0 JGADMO Cc1nc([C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CC[N@H+](C)C(C)C)C2)sc1C ZINC001304046604 1067089753 /nfs/dbraw/zinc/08/97/53/1067089753.db2.gz ZZGFAUUHRMGALJ-IBGZPJMESA-N 1 1 459.664 3.312 20 0 JGADMO CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001302490348 1067091186 /nfs/dbraw/zinc/09/11/86/1067091186.db2.gz ZDEIDMXAURDHCZ-HHHXNRCGSA-N 1 1 477.657 3.001 20 0 JGADMO Cc1nc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)sc1C ZINC001304052833 1067094352 /nfs/dbraw/zinc/09/43/52/1067094352.db2.gz YSLYGQBFDOAKCA-UHFFFAOYSA-N 1 1 456.664 3.434 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001302499590 1067098163 /nfs/dbraw/zinc/09/81/63/1067098163.db2.gz DHOKZXQVOHVCNX-VWLOTQADSA-N 1 1 452.578 3.132 20 0 JGADMO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(F)(F)F ZINC001304059233 1067101771 /nfs/dbraw/zinc/10/17/71/1067101771.db2.gz PUSWYGZCVSNVCK-UHFFFAOYSA-N 1 1 487.596 3.420 20 0 JGADMO Cc1n[nH]cc1CCCn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304063912 1067107932 /nfs/dbraw/zinc/10/79/32/1067107932.db2.gz HHEOEVCFASPTIF-VWLOTQADSA-N 1 1 473.666 3.294 20 0 JGADMO Cc1n[nH]cc1CCCn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304063911 1067107968 /nfs/dbraw/zinc/10/79/68/1067107968.db2.gz HHEOEVCFASPTIF-RUZDIDTESA-N 1 1 473.666 3.294 20 0 JGADMO CC(C)[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001302506781 1067109942 /nfs/dbraw/zinc/10/99/42/1067109942.db2.gz ZQTLKSLHCRAYFB-SANMLTNESA-N 1 1 496.681 3.389 20 0 JGADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001302510584 1067118753 /nfs/dbraw/zinc/11/87/53/1067118753.db2.gz MJYJGBCHCPQWNR-FUDKSRODSA-N 1 1 474.694 3.280 20 0 JGADMO Cc1c(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)cnn1C ZINC001304076257 1067120408 /nfs/dbraw/zinc/12/04/08/1067120408.db2.gz KUDBHDOFKQNUBZ-INIZCTEOSA-N 1 1 485.036 3.023 20 0 JGADMO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC001304077648 1067123115 /nfs/dbraw/zinc/12/31/15/1067123115.db2.gz GWBPVGRPDVEZJE-YZIHRLCOSA-N 1 1 487.693 3.365 20 0 JGADMO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302514793 1067132235 /nfs/dbraw/zinc/13/22/35/1067132235.db2.gz GEKOIFCXQHVJSA-TYPHKJRUSA-N 1 1 476.666 3.252 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001302514805 1067132297 /nfs/dbraw/zinc/13/22/97/1067132297.db2.gz SXXRAPFYJBJGQO-CVEARBPZSA-N 1 1 484.464 3.351 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001302518747 1067137949 /nfs/dbraw/zinc/13/79/49/1067137949.db2.gz IABPYOYNSUTUMT-QFIPXVFZSA-N 1 1 455.651 3.008 20 0 JGADMO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001302518747 1067137957 /nfs/dbraw/zinc/13/79/57/1067137957.db2.gz IABPYOYNSUTUMT-QFIPXVFZSA-N 1 1 455.651 3.008 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(CCOc2ccccc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001304097377 1067138752 /nfs/dbraw/zinc/13/87/52/1067138752.db2.gz OJPCBGQAPXNEFE-UHFFFAOYSA-N 1 1 470.643 3.412 20 0 JGADMO Cc1ncsc1CN(C)c1nnc(CCOc2ccccc2)n1CC[N@H+]1CCOCC1(C)C ZINC001304097377 1067138758 /nfs/dbraw/zinc/13/87/58/1067138758.db2.gz OJPCBGQAPXNEFE-UHFFFAOYSA-N 1 1 470.643 3.412 20 0 JGADMO Cc1c(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC001304097425 1067138828 /nfs/dbraw/zinc/13/88/28/1067138828.db2.gz QBUBOBFHWNJESS-QHCPKHFHSA-N 1 1 485.608 3.031 20 0 JGADMO Cc1c(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cnn1C ZINC001304097660 1067139463 /nfs/dbraw/zinc/13/94/63/1067139463.db2.gz WPUVMHDZNCLGRC-HXUWFJFHSA-N 1 1 484.674 3.068 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302524093 1067146021 /nfs/dbraw/zinc/14/60/21/1067146021.db2.gz BTORKCAQPMGLCV-FQEVSTJZSA-N 1 1 499.553 3.258 20 0 JGADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302525281 1067147935 /nfs/dbraw/zinc/14/79/35/1067147935.db2.gz RKOJSWVFCJSQBA-WOJBJXKFSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)[C@H](Cn1c(CC2CC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC001302525599 1067148611 /nfs/dbraw/zinc/14/86/11/1067148611.db2.gz OKVSCOWSXKKPPM-NRFANRHFSA-N 1 1 475.037 3.316 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302526434 1067151072 /nfs/dbraw/zinc/15/10/72/1067151072.db2.gz VFMBRPCGMKNYJK-GOTSBHOMSA-N 1 1 470.662 3.405 20 0 JGADMO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1)[NH+]1CCOCC1 ZINC001302526472 1067151140 /nfs/dbraw/zinc/15/11/40/1067151140.db2.gz VSMFPJAYPWACTR-KZSRXSAESA-N 1 1 489.686 3.074 20 0 JGADMO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302526433 1067151249 /nfs/dbraw/zinc/15/12/49/1067151249.db2.gz VFMBRPCGMKNYJK-DHIUTWEWSA-N 1 1 470.662 3.405 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001302526420 1067151261 /nfs/dbraw/zinc/15/12/61/1067151261.db2.gz VCDFFUDPHDJPSH-UWJYYQICSA-N 1 1 465.614 3.446 20 0 JGADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302529517 1067159047 /nfs/dbraw/zinc/15/90/47/1067159047.db2.gz YVDWQHYSEOYIMX-XZOQPEGZSA-N 1 1 488.721 3.499 20 0 JGADMO CS[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001302533783 1067162777 /nfs/dbraw/zinc/16/27/77/1067162777.db2.gz DBACKAONQGMLQG-SFHVURJKSA-N 1 1 460.623 3.117 20 0 JGADMO CS[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001302535774 1067166190 /nfs/dbraw/zinc/16/61/90/1067166190.db2.gz PVUVYOVLFAAXBZ-NTKDMRAZSA-N 1 1 472.659 3.200 20 0 JGADMO CS[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001302537089 1067169173 /nfs/dbraw/zinc/16/91/73/1067169173.db2.gz VPPNZZTWVMPQIC-VQTJNVASSA-N 1 1 456.660 3.366 20 0 JGADMO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001304135961 1067174111 /nfs/dbraw/zinc/17/41/11/1067174111.db2.gz KGSGJNWALONSRM-SIKLNZKXSA-N 1 1 495.672 3.213 20 0 JGADMO COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001304136445 1067175353 /nfs/dbraw/zinc/17/53/53/1067175353.db2.gz ZSLXKUWYRDBIMA-KBMIEXCESA-N 1 1 452.530 3.136 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304138477 1067178800 /nfs/dbraw/zinc/17/88/00/1067178800.db2.gz FUFQEVVVJDAVSO-KOSHJBKYSA-N 1 1 488.036 3.125 20 0 JGADMO CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302545233 1067178886 /nfs/dbraw/zinc/17/88/86/1067178886.db2.gz HMIRPIRUIPHNGV-NNMXDRDESA-N 1 1 456.660 3.076 20 0 JGADMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304140876 1067182285 /nfs/dbraw/zinc/18/22/85/1067182285.db2.gz OCHRERHTFCYCSB-YBJWPOLQSA-N 1 1 478.037 3.369 20 0 JGADMO CS[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001302548075 1067184004 /nfs/dbraw/zinc/18/40/04/1067184004.db2.gz MLFFWXIRVYGBAU-ROUUACIJSA-N 1 1 477.700 3.411 20 0 JGADMO Cc1cc(C(=O)NC2CCN(c3nnc([C@H]4CCCO4)n3CCC[N@H+](C)C(C)C)CC2)c(C)o1 ZINC001304147139 1067192001 /nfs/dbraw/zinc/19/20/01/1067192001.db2.gz NXMJWTXFJOSMDQ-JOCHJYFZSA-N 1 1 472.634 3.469 20 0 JGADMO CC(C)c1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CC=CCC2)cn1 ZINC001302557571 1067197037 /nfs/dbraw/zinc/19/70/37/1067197037.db2.gz MWPOSHHGVCJMEC-UHFFFAOYSA-N 1 1 480.642 3.081 20 0 JGADMO CS[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001302557595 1067197052 /nfs/dbraw/zinc/19/70/52/1067197052.db2.gz HLPODBFGJBASOB-HMXCVIKNSA-N 1 1 477.700 3.033 20 0 JGADMO CS[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001302557595 1067197056 /nfs/dbraw/zinc/19/70/56/1067197056.db2.gz HLPODBFGJBASOB-HMXCVIKNSA-N 1 1 477.700 3.033 20 0 JGADMO Cc1cc([C@](C)(O)Cn2c([C@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC001304151716 1067197592 /nfs/dbraw/zinc/19/75/92/1067197592.db2.gz IMWXPCZKTMNQBS-ATIYNZHBSA-N 1 1 489.661 3.432 20 0 JGADMO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302560425 1067201142 /nfs/dbraw/zinc/20/11/42/1067201142.db2.gz DOWZPYWXOOQVET-LGVFNWMJSA-N 1 1 484.714 3.308 20 0 JGADMO Cc1cccc([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304153894 1067202103 /nfs/dbraw/zinc/20/21/03/1067202103.db2.gz BDNDHSDBQPFKBZ-PCCBWWKXSA-N 1 1 451.619 3.336 20 0 JGADMO Cc1cccc([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304153894 1067202107 /nfs/dbraw/zinc/20/21/07/1067202107.db2.gz BDNDHSDBQPFKBZ-PCCBWWKXSA-N 1 1 451.619 3.336 20 0 JGADMO CS[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001302565608 1067204920 /nfs/dbraw/zinc/20/49/20/1067204920.db2.gz FMXCMULQFXHTFL-HXUWFJFHSA-N 1 1 469.659 3.363 20 0 JGADMO Cc1cc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c(C)c1 ZINC001304160937 1067208466 /nfs/dbraw/zinc/20/84/66/1067208466.db2.gz RSVWMJZTJLYIMS-UHFFFAOYSA-N 1 1 491.640 3.446 20 0 JGADMO Cc1cc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c(C)c1 ZINC001304160937 1067208471 /nfs/dbraw/zinc/20/84/71/1067208471.db2.gz RSVWMJZTJLYIMS-UHFFFAOYSA-N 1 1 491.640 3.446 20 0 JGADMO Cc1cc(C)cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001304162970 1067209812 /nfs/dbraw/zinc/20/98/12/1067209812.db2.gz CPSOKBCAHQGKRH-SFTDATJTSA-N 1 1 488.702 3.058 20 0 JGADMO CC(C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302572440 1067212110 /nfs/dbraw/zinc/21/21/10/1067212110.db2.gz NJNSDCPQJZGMQB-UHFFFAOYSA-N 1 1 481.544 3.479 20 0 JGADMO CC(C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302572440 1067212120 /nfs/dbraw/zinc/21/21/20/1067212120.db2.gz NJNSDCPQJZGMQB-UHFFFAOYSA-N 1 1 481.544 3.479 20 0 JGADMO Cc1[nH+]ccn1CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001304168462 1067215677 /nfs/dbraw/zinc/21/56/77/1067215677.db2.gz HHVMYVBEIXVGCG-UHFFFAOYSA-N 1 1 481.645 3.226 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304169008 1067216557 /nfs/dbraw/zinc/21/65/57/1067216557.db2.gz DDMPPFGSIFWRFC-WPFOTENUSA-N 1 1 498.672 3.030 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304169002 1067216576 /nfs/dbraw/zinc/21/65/76/1067216576.db2.gz DDMPPFGSIFWRFC-AOHZBQACSA-N 1 1 498.672 3.030 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H](N4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304171558 1067219264 /nfs/dbraw/zinc/21/92/64/1067219264.db2.gz RVYHQCMKNJDJAA-ILBGXUMGSA-N 1 1 484.689 3.361 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCOC(C)C)c1 ZINC001304172473 1067220670 /nfs/dbraw/zinc/22/06/70/1067220670.db2.gz YTSDLRQMYKUZGL-JTHBVZDNSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 ZINC001304179365 1067228898 /nfs/dbraw/zinc/22/88/98/1067228898.db2.gz UZMALKJESNVPOW-FCHUYYIVSA-N 1 1 471.646 3.324 20 0 JGADMO CC(C)c1nnc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001302593971 1067232041 /nfs/dbraw/zinc/23/20/41/1067232041.db2.gz RVIQLEWGBCSIPA-LJQANCHMSA-N 1 1 486.642 3.484 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001302595590 1067233288 /nfs/dbraw/zinc/23/32/88/1067233288.db2.gz WIOLOYQFNKCTAR-BGYRXZFFSA-N 1 1 454.619 3.122 20 0 JGADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001302595590 1067233295 /nfs/dbraw/zinc/23/32/95/1067233295.db2.gz WIOLOYQFNKCTAR-BGYRXZFFSA-N 1 1 454.619 3.122 20 0 JGADMO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2(C)COC2)c1 ZINC001304183157 1067233470 /nfs/dbraw/zinc/23/34/70/1067233470.db2.gz UKXSDHDKCXYJGR-UHFFFAOYSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1cc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC001304191237 1067241357 /nfs/dbraw/zinc/24/13/57/1067241357.db2.gz YHCZNXBEADEGLC-IBGZPJMESA-N 1 1 472.659 3.401 20 0 JGADMO CC(C)c1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302613328 1067246812 /nfs/dbraw/zinc/24/68/12/1067246812.db2.gz AVWXENFDLPRQJD-UHFFFAOYSA-N 1 1 486.636 3.184 20 0 JGADMO CC(C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001302615960 1067249635 /nfs/dbraw/zinc/24/96/35/1067249635.db2.gz VQVHQHMIWHXETA-VWLOTQADSA-N 1 1 474.650 3.270 20 0 JGADMO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+]1CC ZINC001304214333 1067257452 /nfs/dbraw/zinc/25/74/52/1067257452.db2.gz QCYIZHCNZDCXLN-FSSWDIPSSA-N 1 1 473.614 3.298 20 0 JGADMO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+]1CC ZINC001304214333 1067257460 /nfs/dbraw/zinc/25/74/60/1067257460.db2.gz QCYIZHCNZDCXLN-FSSWDIPSSA-N 1 1 473.614 3.298 20 0 JGADMO C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(NS(=O)(=O)c4ccc(Br)cc4)c3)C[C@]2(C)C1 ZINC001304214570 1067257557 /nfs/dbraw/zinc/25/75/57/1067257557.db2.gz XUSDKOUXJDCQOB-IERDGZPVSA-N 1 1 478.412 3.274 20 0 JGADMO Cc1ccc(C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1S(N)(=O)=O ZINC001304217194 1067259465 /nfs/dbraw/zinc/25/94/65/1067259465.db2.gz AEHLCSPZSVOMJL-JYFHCDHNSA-N 1 1 463.603 3.431 20 0 JGADMO CSc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001302631877 1067260660 /nfs/dbraw/zinc/26/06/60/1067260660.db2.gz FATQFBDEYPPGMV-SFHVURJKSA-N 1 1 494.731 3.278 20 0 JGADMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218946 1067260778 /nfs/dbraw/zinc/26/07/78/1067260778.db2.gz TUPMDGOAQDJHBX-AZGAKELHSA-N 1 1 463.603 3.431 20 0 JGADMO CC(C)c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302635622 1067265388 /nfs/dbraw/zinc/26/53/88/1067265388.db2.gz VJDCOLKPRFIOJV-UHFFFAOYSA-N 1 1 469.634 3.303 20 0 JGADMO CC(C)c1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302635622 1067265396 /nfs/dbraw/zinc/26/53/96/1067265396.db2.gz VJDCOLKPRFIOJV-UHFFFAOYSA-N 1 1 469.634 3.303 20 0 JGADMO CSc1ccc(CCn2c([C@H]3CCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001302646472 1067275945 /nfs/dbraw/zinc/27/59/45/1067275945.db2.gz VNQBEGQFJBTZBM-ZVDOUQERSA-N 1 1 459.660 3.292 20 0 JGADMO CSc1ccc(CCn2c([C@H]3CCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001302646472 1067275948 /nfs/dbraw/zinc/27/59/48/1067275948.db2.gz VNQBEGQFJBTZBM-ZVDOUQERSA-N 1 1 459.660 3.292 20 0 JGADMO CC(C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001302651785 1067278375 /nfs/dbraw/zinc/27/83/75/1067278375.db2.gz DQSPJIAYGPDRCS-SFTDATJTSA-N 1 1 468.712 3.164 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302653171 1067279473 /nfs/dbraw/zinc/27/94/73/1067279473.db2.gz VDFCGAJQDOYANR-WIYYLYMNSA-N 1 1 497.109 3.466 20 0 JGADMO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)CC2)nc(C(C)C)n1 ZINC001304245063 1067280137 /nfs/dbraw/zinc/28/01/37/1067280137.db2.gz FQYTYPKTZFOTCW-QFIPXVFZSA-N 1 1 484.693 3.187 20 0 JGADMO CC(C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001302654370 1067281879 /nfs/dbraw/zinc/28/18/79/1067281879.db2.gz HFMWYSKHERSRPG-HXUWFJFHSA-N 1 1 488.702 3.004 20 0 JGADMO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001304249211 1067284360 /nfs/dbraw/zinc/28/43/60/1067284360.db2.gz DWXAMQKQZHBXRF-FCHUYYIVSA-N 1 1 468.646 3.458 20 0 JGADMO CSc1ccccc1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001302658713 1067286679 /nfs/dbraw/zinc/28/66/79/1067286679.db2.gz OODQBGDBRXFMBO-FQEVSTJZSA-N 1 1 486.686 3.373 20 0 JGADMO CSc1ccccc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302658698 1067286700 /nfs/dbraw/zinc/28/67/00/1067286700.db2.gz OFOHXJRBBKLLOP-YLJYHZDGSA-N 1 1 494.731 3.367 20 0 JGADMO Cc1ccc(C(=O)NC2CCN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)CC2)s1 ZINC001304260225 1067295052 /nfs/dbraw/zinc/29/50/52/1067295052.db2.gz NUZIGYHYGHQLHI-UHFFFAOYSA-N 1 1 481.670 3.373 20 0 JGADMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001302668306 1067295366 /nfs/dbraw/zinc/29/53/66/1067295366.db2.gz IHUYPNBLOVOZFX-UHFFFAOYSA-N 1 1 484.645 3.408 20 0 JGADMO Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC001304260698 1067295997 /nfs/dbraw/zinc/29/59/97/1067295997.db2.gz VXYYWSNIXFIZRJ-QHCPKHFHSA-N 1 1 482.673 3.248 20 0 JGADMO Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC001304267457 1067300215 /nfs/dbraw/zinc/30/02/15/1067300215.db2.gz QWBYKRYLSOYQLC-ICSRJNTNSA-N 1 1 456.610 3.417 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001302681239 1067306961 /nfs/dbraw/zinc/30/69/61/1067306961.db2.gz JUQJUCDYJSGJNH-LJQANCHMSA-N 1 1 464.705 3.467 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001302681239 1067306975 /nfs/dbraw/zinc/30/69/75/1067306975.db2.gz JUQJUCDYJSGJNH-LJQANCHMSA-N 1 1 464.705 3.467 20 0 JGADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302681838 1067307668 /nfs/dbraw/zinc/30/76/68/1067307668.db2.gz MWSRJVBUPAUVPG-FGZHOGPDSA-N 1 1 458.676 3.223 20 0 JGADMO CSCc1cccc(Cn2c(-c3cnccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001302686271 1067311663 /nfs/dbraw/zinc/31/16/63/1067311663.db2.gz GZMXKLCDODFYPL-UHFFFAOYSA-N 1 1 481.670 3.441 20 0 JGADMO Cc1ccc([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304275410 1067312921 /nfs/dbraw/zinc/31/29/21/1067312921.db2.gz QBYOIWCWGOPBAY-OAQYLSRUSA-N 1 1 468.646 3.060 20 0 JGADMO Cc1ccc([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304275410 1067312930 /nfs/dbraw/zinc/31/29/30/1067312930.db2.gz QBYOIWCWGOPBAY-OAQYLSRUSA-N 1 1 468.646 3.060 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001304275607 1067313166 /nfs/dbraw/zinc/31/31/66/1067313166.db2.gz XWUGIDKJVPDBAQ-UHFFFAOYSA-N 1 1 457.619 3.236 20 0 JGADMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001304275607 1067313179 /nfs/dbraw/zinc/31/31/79/1067313179.db2.gz XWUGIDKJVPDBAQ-UHFFFAOYSA-N 1 1 457.619 3.236 20 0 JGADMO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC001304275959 1067313636 /nfs/dbraw/zinc/31/36/36/1067313636.db2.gz QXJSWXKNEZIHSG-DXIQSLLYSA-N 1 1 470.643 3.209 20 0 JGADMO Cc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(F)F)[NH+]2CCCC2)cc1 ZINC001304277818 1067316728 /nfs/dbraw/zinc/31/67/28/1067316728.db2.gz FZTFRIAWONECEQ-UXHICEINSA-N 1 1 481.613 3.417 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1cccc(F)c1 ZINC001302693864 1067318595 /nfs/dbraw/zinc/31/85/95/1067318595.db2.gz XRBRIOLSIAESJP-QHCPKHFHSA-N 1 1 458.626 3.015 20 0 JGADMO Cc1ccc(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)CC2)c1 ZINC001304278804 1067319100 /nfs/dbraw/zinc/31/91/00/1067319100.db2.gz WRFMFMDFBQUVOX-UHFFFAOYSA-N 1 1 481.689 3.482 20 0 JGADMO CSC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001302694873 1067320082 /nfs/dbraw/zinc/32/00/82/1067320082.db2.gz WUKCRTYJDVXZLX-FQEVSTJZSA-N 1 1 460.623 3.117 20 0 JGADMO CSC[C@H]1CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+](C)C(C)C ZINC001302696003 1067321198 /nfs/dbraw/zinc/32/11/98/1067321198.db2.gz KDMBDSIOIRDKLP-GOSISDBHSA-N 1 1 479.720 3.219 20 0 JGADMO CC(C)c1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302697296 1067322877 /nfs/dbraw/zinc/32/28/77/1067322877.db2.gz BJGAJOAYXAUZSK-JOCHJYFZSA-N 1 1 488.702 3.174 20 0 JGADMO CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001302698684 1067323838 /nfs/dbraw/zinc/32/38/38/1067323838.db2.gz MCVRFBFYOLHGMN-FUDKSRODSA-N 1 1 488.702 3.172 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001304283196 1067324127 /nfs/dbraw/zinc/32/41/27/1067324127.db2.gz RGYZLOSVBBQRAB-YADHBBJMSA-N 1 1 468.646 3.154 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001304282878 1067324150 /nfs/dbraw/zinc/32/41/50/1067324150.db2.gz QAJVJYIHIXHUPE-OAQYLSRUSA-N 1 1 468.646 3.440 20 0 JGADMO Cc1c(Cn2c(COc3cc(C)ccc3C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cnn1C ZINC001304283537 1067324316 /nfs/dbraw/zinc/32/43/16/1067324316.db2.gz LMEJQAXJJVXCBD-UHFFFAOYSA-N 1 1 495.672 3.359 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304283847 1067325044 /nfs/dbraw/zinc/32/50/44/1067325044.db2.gz MTAFPVAYUKUBQS-BAGYTPMASA-N 1 1 491.702 3.464 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302700149 1067324989 /nfs/dbraw/zinc/32/49/89/1067324989.db2.gz RKIIHNXSDNOPAP-CJFMBICVSA-N 1 1 451.619 3.408 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2ccn(C)n2)c1 ZINC001304283892 1067325166 /nfs/dbraw/zinc/32/51/66/1067325166.db2.gz NNYUSSOKYBSUTQ-UHFFFAOYSA-N 1 1 481.645 3.050 20 0 JGADMO CC(C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001302701671 1067325599 /nfs/dbraw/zinc/32/55/99/1067325599.db2.gz WEASXNADFDQNNG-MSOLQXFVSA-N 1 1 452.372 3.396 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001302701671 1067325612 /nfs/dbraw/zinc/32/56/12/1067325612.db2.gz WEASXNADFDQNNG-MSOLQXFVSA-N 1 1 452.372 3.396 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001304284406 1067326234 /nfs/dbraw/zinc/32/62/34/1067326234.db2.gz ROCQJBYTTNTWPC-HXUWFJFHSA-N 1 1 456.635 3.309 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001304286735 1067328861 /nfs/dbraw/zinc/32/88/61/1067328861.db2.gz QICUBKJLLOMLLF-FQEVSTJZSA-N 1 1 454.619 3.015 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001304287763 1067330219 /nfs/dbraw/zinc/33/02/19/1067330219.db2.gz KBDHIRYYJSFPEW-FCHUYYIVSA-N 1 1 489.686 3.218 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001304287930 1067331324 /nfs/dbraw/zinc/33/13/24/1067331324.db2.gz BOOCKENYIFGSQT-VXKWHMMOSA-N 1 1 468.646 3.296 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001304288336 1067331672 /nfs/dbraw/zinc/33/16/72/1067331672.db2.gz FWGKTRIFRGNAII-UHFFFAOYSA-N 1 1 478.641 3.450 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304289389 1067334825 /nfs/dbraw/zinc/33/48/25/1067334825.db2.gz XPESJZRJVUPULC-PZJWPPBQSA-N 1 1 457.575 3.318 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304290239 1067336802 /nfs/dbraw/zinc/33/68/02/1067336802.db2.gz BNYZRDRESAONLU-FQEVSTJZSA-N 1 1 497.562 3.352 20 0 JGADMO CSCC[C@H](C)N(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302721972 1067337523 /nfs/dbraw/zinc/33/75/23/1067337523.db2.gz FFVJJUYDQRWUCT-SFHVURJKSA-N 1 1 498.701 3.198 20 0 JGADMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(CCOc4ccccc4Cl)C3)C2)cc1 ZINC001302723896 1067338913 /nfs/dbraw/zinc/33/89/13/1067338913.db2.gz NTQCFJYEICEKBX-NHCUHLMSSA-N 1 1 455.986 3.266 20 0 JGADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302724116 1067339418 /nfs/dbraw/zinc/33/94/18/1067339418.db2.gz PDXPTAXDLRVDLF-XMSQKQJNSA-N 1 1 462.689 3.126 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304292116 1067340496 /nfs/dbraw/zinc/34/04/96/1067340496.db2.gz VPUUERLUDSPLBI-OFVILXPXSA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3CCN(c4nccnc4C)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001304292735 1067341434 /nfs/dbraw/zinc/34/14/34/1067341434.db2.gz WHSKAUOVKDKXBQ-UHFFFAOYSA-N 1 1 478.645 3.239 20 0 JGADMO Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304293136 1067342388 /nfs/dbraw/zinc/34/23/88/1067342388.db2.gz GAIJIPSTEGWNSA-OYRHEFFESA-N 1 1 457.619 3.198 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001304294319 1067343336 /nfs/dbraw/zinc/34/33/36/1067343336.db2.gz ONNJNACCKCMYMS-KXBFYZLASA-N 1 1 463.579 3.158 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)o1 ZINC001304294325 1067343411 /nfs/dbraw/zinc/34/34/11/1067343411.db2.gz OTKGQLJGHKRESL-ZWKOTPCHSA-N 1 1 471.627 3.163 20 0 JGADMO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)o1 ZINC001304294325 1067343417 /nfs/dbraw/zinc/34/34/17/1067343417.db2.gz OTKGQLJGHKRESL-ZWKOTPCHSA-N 1 1 471.627 3.163 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001304295871 1067345404 /nfs/dbraw/zinc/34/54/04/1067345404.db2.gz GGOSZQWKSNVIOT-HXUWFJFHSA-N 1 1 454.575 3.327 20 0 JGADMO CC(C)[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001302732535 1067346774 /nfs/dbraw/zinc/34/67/74/1067346774.db2.gz WFZMTWCIABXYCO-HFZDXXHNSA-N 1 1 490.693 3.332 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC[N@@H+]2CCOCC2(C)C)o1 ZINC001304301771 1067350131 /nfs/dbraw/zinc/35/01/31/1067350131.db2.gz YOZPDSRVCFISOV-XIFFEERXSA-N 1 1 471.627 3.331 20 0 JGADMO Cc1ccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC[N@H+]2CCOCC2(C)C)o1 ZINC001304301771 1067350143 /nfs/dbraw/zinc/35/01/43/1067350143.db2.gz YOZPDSRVCFISOV-XIFFEERXSA-N 1 1 471.627 3.331 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302738350 1067350744 /nfs/dbraw/zinc/35/07/44/1067350744.db2.gz VTALWPRMKWHDSI-CRAIPNDOSA-N 1 1 451.413 3.381 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302738350 1067350752 /nfs/dbraw/zinc/35/07/52/1067350752.db2.gz VTALWPRMKWHDSI-CRAIPNDOSA-N 1 1 451.413 3.381 20 0 JGADMO Cc1ccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC001304304597 1067352803 /nfs/dbraw/zinc/35/28/03/1067352803.db2.gz YNDOVZRBQQLMJA-UHFFFAOYSA-N 1 1 486.573 3.399 20 0 JGADMO Cc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[N@H+](C)C(C)C)cc1Br ZINC001304308063 1067355807 /nfs/dbraw/zinc/35/58/07/1067355807.db2.gz OCTSYCXCVBALPE-INIZCTEOSA-N 1 1 463.424 3.023 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001304311426 1067358911 /nfs/dbraw/zinc/35/89/11/1067358911.db2.gz LQQNWBNJOWUGNE-IQGLISFBSA-N 1 1 450.587 3.459 20 0 JGADMO Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001304311200 1067358962 /nfs/dbraw/zinc/35/89/62/1067358962.db2.gz XLVSCLVSDNFTCR-UYAOXDASSA-N 1 1 488.633 3.308 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n2CCNC(=O)C(C)C)o1 ZINC001304314111 1067361370 /nfs/dbraw/zinc/36/13/70/1067361370.db2.gz IQFJJVDAUZHGRC-NRFANRHFSA-N 1 1 450.587 3.329 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n2CCNC(=O)C(C)C)o1 ZINC001304314112 1067361403 /nfs/dbraw/zinc/36/14/03/1067361403.db2.gz IQFJJVDAUZHGRC-OAQYLSRUSA-N 1 1 450.587 3.329 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)o1 ZINC001304317378 1067365113 /nfs/dbraw/zinc/36/51/13/1067365113.db2.gz SYNZDAJWJNLGSK-UXHICEINSA-N 1 1 475.590 3.302 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCS(=O)(=O)c2ccccc2)o1 ZINC001304318158 1067365317 /nfs/dbraw/zinc/36/53/17/1067365317.db2.gz PXYHKALNUQEVDA-UHFFFAOYSA-N 1 1 457.600 3.241 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)cc1Br ZINC001304318607 1067366143 /nfs/dbraw/zinc/36/61/43/1067366143.db2.gz RGCRUSUIFVWEJC-QHCPKHFHSA-N 1 1 492.462 3.478 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001302771796 1067369555 /nfs/dbraw/zinc/36/95/55/1067369555.db2.gz CVMHLAZYYLOZLQ-IAGOWNOFSA-N 1 1 498.491 3.477 20 0 JGADMO Cc1ccc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CCCOCC(C)C)o1 ZINC001304322536 1067370278 /nfs/dbraw/zinc/37/02/78/1067370278.db2.gz KJPGEAWOGOMMSG-UHFFFAOYSA-N 1 1 455.607 3.355 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001302773653 1067371241 /nfs/dbraw/zinc/37/12/41/1067371241.db2.gz HSPSVYUXKBWVMD-NFBKMPQASA-N 1 1 451.619 3.450 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001304324399 1067372729 /nfs/dbraw/zinc/37/27/29/1067372729.db2.gz SWSOMRGZEKVQJF-IRXDYDNUSA-N 1 1 475.435 3.167 20 0 JGADMO Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001304324397 1067372749 /nfs/dbraw/zinc/37/27/49/1067372749.db2.gz SWSOMRGZEKVQJF-DLBZAZTESA-N 1 1 475.435 3.167 20 0 JGADMO Cc1ccc(-c2nnc(N3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCCn2cc[nH+]c2C)o1 ZINC001304325707 1067374736 /nfs/dbraw/zinc/37/47/36/1067374736.db2.gz JKRLNVXJTUMDKN-IBGZPJMESA-N 1 1 485.589 3.172 20 0 JGADMO CSCCCN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302782566 1067376284 /nfs/dbraw/zinc/37/62/84/1067376284.db2.gz CKWQLJJJEVOWOZ-OAQYLSRUSA-N 1 1 452.628 3.144 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCCCCCO)cc1Br ZINC001304327261 1067376409 /nfs/dbraw/zinc/37/64/09/1067376409.db2.gz VUFALEOADDQBJU-IBGZPJMESA-N 1 1 478.435 3.090 20 0 JGADMO Cc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCCCCCO)cc1Br ZINC001304327261 1067376421 /nfs/dbraw/zinc/37/64/21/1067376421.db2.gz VUFALEOADDQBJU-IBGZPJMESA-N 1 1 478.435 3.090 20 0 JGADMO Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1Br ZINC001304327944 1067376578 /nfs/dbraw/zinc/37/65/78/1067376578.db2.gz YDDDIGNPJYMVHW-QGZVFWFLSA-N 1 1 478.435 3.352 20 0 JGADMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001302805268 1067393121 /nfs/dbraw/zinc/39/31/21/1067393121.db2.gz HFQPGQPBKYVUDI-DHLKQENFSA-N 1 1 474.694 3.408 20 0 JGADMO Cc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cn1 ZINC001304360712 1067399649 /nfs/dbraw/zinc/39/96/49/1067399649.db2.gz UNCKVHCDNDJKRA-UHFFFAOYSA-N 1 1 454.644 3.477 20 0 JGADMO Cc1ccc(Cn2c(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)c(F)c1 ZINC001304363973 1067402347 /nfs/dbraw/zinc/40/23/47/1067402347.db2.gz MJMVJGMYFGSSBT-QFIPXVFZSA-N 1 1 472.653 3.303 20 0 JGADMO Cc1ccc(CSCCn2c(CC(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC001304366321 1067405762 /nfs/dbraw/zinc/40/57/62/1067405762.db2.gz WXNODMCOKIGFSI-HSZRJFAPSA-N 1 1 484.714 3.461 20 0 JGADMO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2=O)cc1 ZINC001304373619 1067411661 /nfs/dbraw/zinc/41/16/61/1067411661.db2.gz XTBGVROQMFFOLW-NRFANRHFSA-N 1 1 468.646 3.238 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N(C)CCCCCO)n2C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC001304374541 1067413362 /nfs/dbraw/zinc/41/33/62/1067413362.db2.gz FNNHMVGVQXXYQA-HXUWFJFHSA-N 1 1 465.602 3.205 20 0 JGADMO CSCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001302825689 1067415751 /nfs/dbraw/zinc/41/57/51/1067415751.db2.gz BYYXWSLFWSQQLJ-YADARESESA-N 1 1 494.706 3.404 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304376882 1067419378 /nfs/dbraw/zinc/41/93/78/1067419378.db2.gz BXYVFJVHLLBMLN-HXUWFJFHSA-N 1 1 495.672 3.325 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2COCCO2)cc1C ZINC001304378846 1067423285 /nfs/dbraw/zinc/42/32/85/1067423285.db2.gz GNFGRYYQSAXTOU-HSZRJFAPSA-N 1 1 484.645 3.119 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2cc(F)cc(F)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302841676 1067428471 /nfs/dbraw/zinc/42/84/71/1067428471.db2.gz LNZJYSXGUZGGQF-OAQYLSRUSA-N 1 1 462.589 3.334 20 0 JGADMO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1O ZINC001302843069 1067429291 /nfs/dbraw/zinc/42/92/91/1067429291.db2.gz YGSVKYFRCATDKH-CGXNFDGLSA-N 1 1 490.693 3.378 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001304383262 1067432430 /nfs/dbraw/zinc/43/24/30/1067432430.db2.gz JYOOYYALWCHGPF-SIKLNZKXSA-N 1 1 495.672 3.326 20 0 JGADMO CC(C)Cc1nnc(N(C)Cc2cscn2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001302848550 1067434085 /nfs/dbraw/zinc/43/40/85/1067434085.db2.gz IUSMNUIYVSPNRC-UHFFFAOYSA-N 1 1 454.648 3.177 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCNC(=O)C(C)C)cc1C ZINC001304384817 1067436114 /nfs/dbraw/zinc/43/61/14/1067436114.db2.gz UDGUYKXDQHSGFS-UHFFFAOYSA-N 1 1 495.672 3.374 20 0 JGADMO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001302853754 1067438224 /nfs/dbraw/zinc/43/82/24/1067438224.db2.gz ZDSIEBVLMPRQKA-FUPPJEDESA-N 1 1 450.501 3.311 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001302856872 1067439999 /nfs/dbraw/zinc/43/99/99/1067439999.db2.gz CYTOZXGZYCWGLK-SZPZYZBQSA-N 1 1 482.673 3.193 20 0 JGADMO CC(C)Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001302856872 1067440004 /nfs/dbraw/zinc/44/00/04/1067440004.db2.gz CYTOZXGZYCWGLK-SZPZYZBQSA-N 1 1 482.673 3.193 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304387690 1067444116 /nfs/dbraw/zinc/44/41/16/1067444116.db2.gz FSSGIIYGRASIQO-BGYRXZFFSA-N 1 1 465.602 3.156 20 0 JGADMO Cc1ccc(NC(=O)c2nnc(N3CCSCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001304387847 1067444562 /nfs/dbraw/zinc/44/45/62/1067444562.db2.gz ZZXDCXFQMDLRRM-NRFANRHFSA-N 1 1 472.659 3.057 20 0 JGADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001304388256 1067445541 /nfs/dbraw/zinc/44/55/41/1067445541.db2.gz ASVATIRDQRORGT-GGAORHGYSA-N 1 1 484.645 3.404 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1F ZINC001302863117 1067445626 /nfs/dbraw/zinc/44/56/26/1067445626.db2.gz VZADKUBCFLJEGA-PSGMQZRDSA-N 1 1 458.365 3.025 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC(=O)N(C)C1CCCCC1 ZINC001302865698 1067446675 /nfs/dbraw/zinc/44/66/75/1067446675.db2.gz DMSPUQNYYBPOFH-LJQANCHMSA-N 1 1 460.667 3.056 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)O ZINC001302865651 1067446687 /nfs/dbraw/zinc/44/66/87/1067446687.db2.gz BAXLKILHUBSRSQ-MRXNPFEDSA-N 1 1 465.545 3.007 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2cccnc2)n1CCC(=O)NC(C)(C)C ZINC001302866124 1067447201 /nfs/dbraw/zinc/44/72/01/1067447201.db2.gz KBSDMAGWXZUFPS-OAQYLSRUSA-N 1 1 475.641 3.279 20 0 JGADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(Cc2c(F)cccc2F)n1CC(F)(F)F ZINC001302866382 1067447236 /nfs/dbraw/zinc/44/72/36/1067447236.db2.gz MWSMIYOWIQGYJM-CQSZACIVSA-N 1 1 459.463 3.399 20 0 JGADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCCO2)n1CCSCCCO ZINC001302866090 1067447313 /nfs/dbraw/zinc/44/73/13/1067447313.db2.gz IMWPIZMUDYPRTE-IFMALSPDSA-N 1 1 459.660 3.346 20 0 JGADMO CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001302870112 1067449831 /nfs/dbraw/zinc/44/98/31/1067449831.db2.gz XZQMQUNOLCYRCN-FPOVZHCZSA-N 1 1 495.594 3.240 20 0 JGADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)NC(=O)OC(C)(C)C ZINC001302872798 1067456066 /nfs/dbraw/zinc/45/60/66/1067456066.db2.gz MNMMYPUIFNWHTD-QUCCMNQESA-N 1 1 488.608 3.157 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001304398011 1067460132 /nfs/dbraw/zinc/46/01/32/1067460132.db2.gz PHUNSPYZHGDIGG-XMMPIXPASA-N 1 1 481.645 3.201 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302878478 1067460638 /nfs/dbraw/zinc/46/06/38/1067460638.db2.gz FZJXWEQOISQZCC-VQTJNVASSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302878478 1067460643 /nfs/dbraw/zinc/46/06/43/1067460643.db2.gz FZJXWEQOISQZCC-VQTJNVASSA-N 1 1 478.682 3.327 20 0 JGADMO CC(C)Cc1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302886038 1067466672 /nfs/dbraw/zinc/46/66/72/1067466672.db2.gz FTGQGJXXCYQTKZ-XMMPIXPASA-N 1 1 495.672 3.132 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CCOC2)cc1C ZINC001304404342 1067466693 /nfs/dbraw/zinc/46/66/93/1067466693.db2.gz PVIBNOAQBWWJGJ-OAQYLSRUSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CCOC2)cc1C ZINC001304404342 1067466700 /nfs/dbraw/zinc/46/67/00/1067466700.db2.gz PVIBNOAQBWWJGJ-OAQYLSRUSA-N 1 1 457.619 3.057 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCOC2)cc1C ZINC001304404842 1067467276 /nfs/dbraw/zinc/46/72/76/1067467276.db2.gz UNQVCTVZBIQHNF-ZRBLBEILSA-N 1 1 471.646 3.446 20 0 JGADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCOC2)cc1C ZINC001304404842 1067467281 /nfs/dbraw/zinc/46/72/81/1067467281.db2.gz UNQVCTVZBIQHNF-ZRBLBEILSA-N 1 1 471.646 3.446 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302888501 1067468365 /nfs/dbraw/zinc/46/83/65/1067468365.db2.gz BHNJEKLIYUWKDA-BJKOFHAPSA-N 1 1 466.674 3.488 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001304405796 1067469242 /nfs/dbraw/zinc/46/92/42/1067469242.db2.gz MWOYBLNWXVKBHF-VXKWHMMOSA-N 1 1 471.646 3.324 20 0 JGADMO CC(C)Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001302890636 1067470225 /nfs/dbraw/zinc/47/02/25/1067470225.db2.gz VPCZWUNOVXMAOW-AREMUKBSSA-N 1 1 452.647 3.303 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001304406982 1067471101 /nfs/dbraw/zinc/47/11/01/1067471101.db2.gz LGEKZCWSIFBWHX-HBMCJLEFSA-N 1 1 459.660 3.343 20 0 JGADMO CC(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001302892081 1067471581 /nfs/dbraw/zinc/47/15/81/1067471581.db2.gz AKTNGGYTHPPIOQ-NHCUHLMSSA-N 1 1 476.666 3.035 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[N@H+](C)C2CCCCC2)cc1C ZINC001304407432 1067472531 /nfs/dbraw/zinc/47/25/31/1067472531.db2.gz KZQKHUZUFLZGLS-NRFANRHFSA-N 1 1 468.646 3.440 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[N@H+](C)C2CCCCC2)cc1C ZINC001304407433 1067472559 /nfs/dbraw/zinc/47/25/59/1067472559.db2.gz KZQKHUZUFLZGLS-OAQYLSRUSA-N 1 1 468.646 3.440 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001304407771 1067472607 /nfs/dbraw/zinc/47/26/07/1067472607.db2.gz AFRCFOPTBHTWEC-UHFFFAOYSA-N 1 1 466.630 3.122 20 0 JGADMO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001304408730 1067473848 /nfs/dbraw/zinc/47/38/48/1067473848.db2.gz WPJPPDBTFFFKRF-BHIFYINESA-N 1 1 457.619 3.016 20 0 JGADMO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302896696 1067477814 /nfs/dbraw/zinc/47/78/14/1067477814.db2.gz NALBOLZPOGKDFM-OAQYLSRUSA-N 1 1 467.662 3.381 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCC[N@@H+](C)C2CCCCC2)CCN1S(C)(=O)=O ZINC001302897811 1067478619 /nfs/dbraw/zinc/47/86/19/1067478619.db2.gz WATGEZVKZOSYKF-IBGZPJMESA-N 1 1 494.731 3.055 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccn(C)n2)C[C@H](C)O1 ZINC001302901831 1067485930 /nfs/dbraw/zinc/48/59/30/1067485930.db2.gz QSAQTOGIILDJFS-HDICACEKSA-N 1 1 489.571 3.068 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccn(C)n2)C[C@H](C)O1 ZINC001302901831 1067485932 /nfs/dbraw/zinc/48/59/32/1067485932.db2.gz QSAQTOGIILDJFS-HDICACEKSA-N 1 1 489.571 3.068 20 0 JGADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CC(F)(F)CO3)CC2)C[C@H](C)O1 ZINC001302901817 1067486036 /nfs/dbraw/zinc/48/60/36/1067486036.db2.gz QGPMTXYVHNYFSD-ZIFCJYIRSA-N 1 1 455.594 3.325 20 0 JGADMO C[C@@H]1CCO[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302901994 1067486454 /nfs/dbraw/zinc/48/64/54/1067486454.db2.gz VULOKNNEHRNKRH-PDOICOKGSA-N 1 1 495.466 3.017 20 0 JGADMO C[C@@H]1CCO[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302901994 1067486457 /nfs/dbraw/zinc/48/64/57/1067486457.db2.gz VULOKNNEHRNKRH-PDOICOKGSA-N 1 1 495.466 3.017 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCS2)C[C@H](C)O1 ZINC001302902246 1067487061 /nfs/dbraw/zinc/48/70/61/1067487061.db2.gz ZQZWGVLVXWCMJS-SOLBZPMBSA-N 1 1 497.507 3.487 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCS2)C[C@H](C)O1 ZINC001302902246 1067487065 /nfs/dbraw/zinc/48/70/65/1067487065.db2.gz ZQZWGVLVXWCMJS-SOLBZPMBSA-N 1 1 497.507 3.487 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001304415861 1067487260 /nfs/dbraw/zinc/48/72/60/1067487260.db2.gz KINMOYKRAPZGOD-FCHUYYIVSA-N 1 1 468.646 3.391 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001304415863 1067487300 /nfs/dbraw/zinc/48/73/00/1067487300.db2.gz KINMOYKRAPZGOD-VXKWHMMOSA-N 1 1 468.646 3.391 20 0 JGADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C2CCC2)n1CCCN(C)CC(F)(F)F ZINC001302902408 1067487496 /nfs/dbraw/zinc/48/74/96/1067487496.db2.gz HWAVESCECSRGEL-KRWDZBQOSA-N 1 1 458.573 3.119 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001304416349 1067488207 /nfs/dbraw/zinc/48/82/07/1067488207.db2.gz YHPYNTNPOXWBDL-UHFFFAOYSA-N 1 1 468.646 3.345 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC001302905062 1067489151 /nfs/dbraw/zinc/48/91/51/1067489151.db2.gz FTSVHPMKRPZZKF-IYBDPMFKSA-N 1 1 461.973 3.065 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC001302905062 1067489156 /nfs/dbraw/zinc/48/91/56/1067489156.db2.gz FTSVHPMKRPZZKF-IYBDPMFKSA-N 1 1 461.973 3.065 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCOC3)n2CCCc2cccc(F)c2)C[C@H](C)O1 ZINC001302904881 1067489269 /nfs/dbraw/zinc/48/92/69/1067489269.db2.gz BXUVBSWGJWWLGG-VWPQPMDRSA-N 1 1 459.610 3.489 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCOC3)n2CCCc2cccc(F)c2)C[C@H](C)O1 ZINC001302904881 1067489273 /nfs/dbraw/zinc/48/92/73/1067489273.db2.gz BXUVBSWGJWWLGG-VWPQPMDRSA-N 1 1 459.610 3.489 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2CCSCc2ccccc2)C[C@H](C)O1 ZINC001302905240 1067489631 /nfs/dbraw/zinc/48/96/31/1067489631.db2.gz IJKIRQYGFHXIGO-BGYRXZFFSA-N 1 1 467.643 3.214 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2CCSCc2ccccc2)C[C@H](C)O1 ZINC001302905240 1067489637 /nfs/dbraw/zinc/48/96/37/1067489637.db2.gz IJKIRQYGFHXIGO-BGYRXZFFSA-N 1 1 467.643 3.214 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001304417237 1067489624 /nfs/dbraw/zinc/48/96/24/1067489624.db2.gz XBPNHFSVASFZLP-UHFFFAOYSA-N 1 1 468.646 3.263 20 0 JGADMO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2CC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001302905232 1067489699 /nfs/dbraw/zinc/48/96/99/1067489699.db2.gz HZYZVDSLGQLVOB-SZPZYZBQSA-N 1 1 463.630 3.018 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCOc2ncccc2Cl)C[C@H](C)O1 ZINC001302905643 1067490799 /nfs/dbraw/zinc/49/07/99/1067490799.db2.gz SLQBXTZHWFCBAD-WSTZPKSXSA-N 1 1 479.025 3.193 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCOc2ncccc2Cl)C[C@H](C)O1 ZINC001302905643 1067490804 /nfs/dbraw/zinc/49/08/04/1067490804.db2.gz SLQBXTZHWFCBAD-WSTZPKSXSA-N 1 1 479.025 3.193 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCC(=O)NC(C)C)cc1 ZINC001304417858 1067490807 /nfs/dbraw/zinc/49/08/07/1067490807.db2.gz FQZYMZGXIQTINJ-NRFANRHFSA-N 1 1 468.646 3.391 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccn3)n2Cc2nc(C(F)(F)F)cs2)C[C@H](C)O1 ZINC001302905682 1067490924 /nfs/dbraw/zinc/49/09/24/1067490924.db2.gz UQOHKQBGTGVPCJ-GASCZTMLSA-N 1 1 481.548 3.409 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccn3)n2Cc2nc(C(F)(F)F)cs2)C[C@H](C)O1 ZINC001302905682 1067490926 /nfs/dbraw/zinc/49/09/26/1067490926.db2.gz UQOHKQBGTGVPCJ-GASCZTMLSA-N 1 1 481.548 3.409 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC001302905945 1067490940 /nfs/dbraw/zinc/49/09/40/1067490940.db2.gz WEKDHYCMPKZCMM-CALCHBBNSA-N 1 1 460.529 3.468 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC001302905945 1067490945 /nfs/dbraw/zinc/49/09/45/1067490945.db2.gz WEKDHYCMPKZCMM-CALCHBBNSA-N 1 1 460.529 3.468 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccccc2Cl)C[C@H](C)O1 ZINC001302905983 1067491387 /nfs/dbraw/zinc/49/13/87/1067491387.db2.gz XFDHQDFZVVUYGV-CEYNDMKZSA-N 1 1 487.048 3.390 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccccc2Cl)C[C@H](C)O1 ZINC001302905983 1067491389 /nfs/dbraw/zinc/49/13/89/1067491389.db2.gz XFDHQDFZVVUYGV-CEYNDMKZSA-N 1 1 487.048 3.390 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2CC2CCC(F)(F)CC2)C[C@H](C)O1 ZINC001302905986 1067491467 /nfs/dbraw/zinc/49/14/67/1067491467.db2.gz XHGZDTZCISOGOF-CALCHBBNSA-N 1 1 451.566 3.050 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2CC2CCC(F)(F)CC2)C[C@H](C)O1 ZINC001302905986 1067491471 /nfs/dbraw/zinc/49/14/71/1067491471.db2.gz XHGZDTZCISOGOF-CALCHBBNSA-N 1 1 451.566 3.050 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC=CCO2)C[C@H](C)O1 ZINC001302906917 1067491953 /nfs/dbraw/zinc/49/19/53/1067491953.db2.gz BVQGAGGOUNVUMD-CEXWTWQISA-N 1 1 461.557 3.038 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC=CCO2)C[C@H](C)O1 ZINC001302906917 1067491958 /nfs/dbraw/zinc/49/19/58/1067491958.db2.gz BVQGAGGOUNVUMD-CEXWTWQISA-N 1 1 461.557 3.038 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCC(C)(C)O)cc1C ZINC001304418609 1067492675 /nfs/dbraw/zinc/49/26/75/1067492675.db2.gz TVRDNXOQWRKIER-NRFANRHFSA-N 1 1 471.646 3.324 20 0 JGADMO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304418679 1067492694 /nfs/dbraw/zinc/49/26/94/1067492694.db2.gz JRYPDOGBIBZCNX-NRFANRHFSA-N 1 1 492.615 3.054 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccccc3F)n2CCc2nccs2)C[C@H](C)O1 ZINC001302908205 1067493016 /nfs/dbraw/zinc/49/30/16/1067493016.db2.gz ILQRRIMHRYDMEA-HDICACEKSA-N 1 1 474.606 3.241 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccccc3F)n2CCc2nccs2)C[C@H](C)O1 ZINC001302908205 1067493020 /nfs/dbraw/zinc/49/30/20/1067493020.db2.gz ILQRRIMHRYDMEA-HDICACEKSA-N 1 1 474.606 3.241 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCCOC(F)(F)F)cc1 ZINC001304418717 1067493278 /nfs/dbraw/zinc/49/32/78/1067493278.db2.gz KTVXECCUICIEKO-HXUWFJFHSA-N 1 1 483.535 3.393 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCCCCO)cc1 ZINC001304419118 1067493664 /nfs/dbraw/zinc/49/36/64/1067493664.db2.gz XQDHJCCYIYDWBT-OAQYLSRUSA-N 1 1 457.619 3.018 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC001302909369 1067494038 /nfs/dbraw/zinc/49/40/38/1067494038.db2.gz QCAMJENZGOHTLW-BBWFWOEESA-N 1 1 498.459 3.141 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC001302909369 1067494042 /nfs/dbraw/zinc/49/40/42/1067494042.db2.gz QCAMJENZGOHTLW-BBWFWOEESA-N 1 1 498.459 3.141 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCOC2)C[C@H](C)O1 ZINC001302909446 1067494504 /nfs/dbraw/zinc/49/45/04/1067494504.db2.gz TZKAHFAQPMFMQD-PVIWCNJMSA-N 1 1 463.667 3.169 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCOC2)C[C@H](C)O1 ZINC001302909446 1067494507 /nfs/dbraw/zinc/49/45/07/1067494507.db2.gz TZKAHFAQPMFMQD-PVIWCNJMSA-N 1 1 463.667 3.169 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2CCc2ccc(O)cc2)C[C@H](C)O1 ZINC001302909714 1067495249 /nfs/dbraw/zinc/49/52/49/1067495249.db2.gz YQDGPWASIZPJBZ-KDURUIRLSA-N 1 1 455.628 3.424 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2CCc2ccc(O)cc2)C[C@H](C)O1 ZINC001302909714 1067495252 /nfs/dbraw/zinc/49/52/52/1067495252.db2.gz YQDGPWASIZPJBZ-KDURUIRLSA-N 1 1 455.628 3.424 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302911531 1067497071 /nfs/dbraw/zinc/49/70/71/1067497071.db2.gz YLFDFWOWFYVXRG-INIZCTEOSA-N 1 1 495.466 3.161 20 0 JGADMO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302912916 1067498096 /nfs/dbraw/zinc/49/80/96/1067498096.db2.gz BNPUCRAHCPCUOW-IBGZPJMESA-N 1 1 474.625 3.026 20 0 JGADMO FC(F)(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001302922143 1067502108 /nfs/dbraw/zinc/50/21/08/1067502108.db2.gz GFCHOXHRKYJLMN-KRWDZBQOSA-N 1 1 470.362 3.482 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCSCC(C)C)cc1C ZINC001304425351 1067502676 /nfs/dbraw/zinc/50/26/76/1067502676.db2.gz OTJKKJJXCAZCIB-OAQYLSRUSA-N 1 1 459.660 3.384 20 0 JGADMO Cc1ccc(OCc2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCSCC(C)C)cc1C ZINC001304425351 1067502682 /nfs/dbraw/zinc/50/26/82/1067502682.db2.gz OTJKKJJXCAZCIB-OAQYLSRUSA-N 1 1 459.660 3.384 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302928737 1067505759 /nfs/dbraw/zinc/50/57/59/1067505759.db2.gz GBSGGFODSFPREP-GIWBLDEGSA-N 1 1 494.750 3.428 20 0 JGADMO FC(F)(F)[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001302929279 1067506236 /nfs/dbraw/zinc/50/62/36/1067506236.db2.gz VNRMYNIKHDFCQP-KRWDZBQOSA-N 1 1 459.900 3.088 20 0 JGADMO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302931019 1067506656 /nfs/dbraw/zinc/50/66/56/1067506656.db2.gz VQTGHULRBOTRQS-YKSBVNFPSA-N 1 1 465.708 3.468 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001302932510 1067508265 /nfs/dbraw/zinc/50/82/65/1067508265.db2.gz BGLCSSKFERNVHH-OAQYLSRUSA-N 1 1 488.702 3.392 20 0 JGADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302933636 1067508482 /nfs/dbraw/zinc/50/84/82/1067508482.db2.gz OBTPEZSJVSDDDF-JOCHJYFZSA-N 1 1 488.702 3.247 20 0 JGADMO FC(F)(F)CC1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302933830 1067508558 /nfs/dbraw/zinc/50/85/58/1067508558.db2.gz RJIHNKAYPFSVQO-UHFFFAOYSA-N 1 1 452.525 3.155 20 0 JGADMO FC(F)(F)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001302934692 1067508911 /nfs/dbraw/zinc/50/89/11/1067508911.db2.gz JLQQJAIQTJWRHJ-CQSZACIVSA-N 1 1 474.325 3.428 20 0 JGADMO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCCC(=O)NC1CC1 ZINC001302936332 1067509639 /nfs/dbraw/zinc/50/96/39/1067509639.db2.gz CGHIWCQZWPEFHI-UHFFFAOYSA-N 1 1 456.610 3.387 20 0 JGADMO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001304436582 1067514958 /nfs/dbraw/zinc/51/49/58/1067514958.db2.gz FPLOECVRFNIIHA-VQTJNVASSA-N 1 1 456.660 3.278 20 0 JGADMO FC(F)(F)OCCCn1c(CCc2ccccc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001302942479 1067515878 /nfs/dbraw/zinc/51/58/78/1067515878.db2.gz CHUHIFNHSBNSIQ-HXUWFJFHSA-N 1 1 467.536 3.291 20 0 JGADMO Cc1ccc(SCc2nnc(Nc3ccn(C)n3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001304437524 1067516620 /nfs/dbraw/zinc/51/66/20/1067516620.db2.gz CQSMINJSYQSATA-HXUWFJFHSA-N 1 1 482.658 3.299 20 0 JGADMO Cc1ccc(SCc2nnc(Nc3ccn(C)n3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001304437523 1067516652 /nfs/dbraw/zinc/51/66/52/1067516652.db2.gz CQSMINJSYQSATA-FQEVSTJZSA-N 1 1 482.658 3.299 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001302945553 1067518773 /nfs/dbraw/zinc/51/87/73/1067518773.db2.gz HZWNDKYBYLIKOB-VWLOTQADSA-N 1 1 481.689 3.090 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001302946505 1067519585 /nfs/dbraw/zinc/51/95/85/1067519585.db2.gz OTRZDNJKUMGRSM-MOPGFXCFSA-N 1 1 457.623 3.381 20 0 JGADMO CC(C)Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001302946641 1067519870 /nfs/dbraw/zinc/51/98/70/1067519870.db2.gz QAUMKYYLTNPPPM-DHLKQENFSA-N 1 1 481.689 3.090 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001302949591 1067523480 /nfs/dbraw/zinc/52/34/80/1067523480.db2.gz IIWJMWYFESORKB-UHFFFAOYSA-N 1 1 462.589 3.192 20 0 JGADMO CC(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001302949591 1067523489 /nfs/dbraw/zinc/52/34/89/1067523489.db2.gz IIWJMWYFESORKB-UHFFFAOYSA-N 1 1 462.589 3.192 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCCNC(=O)OC(C)(C)C ZINC001302957301 1067528962 /nfs/dbraw/zinc/52/89/62/1067528962.db2.gz NNJVPZXENZHVHE-LJQANCHMSA-N 1 1 464.655 3.081 20 0 JGADMO Cc1cccc(C)c1NC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304447976 1067529363 /nfs/dbraw/zinc/52/93/63/1067529363.db2.gz ZFEUGJHIXFQCOZ-UHFFFAOYSA-N 1 1 491.640 3.390 20 0 JGADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCS(=O)(=O)c1ccccc1 ZINC001302957903 1067529411 /nfs/dbraw/zinc/52/94/11/1067529411.db2.gz XLBFCNVFTASQGF-HXUWFJFHSA-N 1 1 459.660 3.261 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302959425 1067530996 /nfs/dbraw/zinc/53/09/96/1067530996.db2.gz UOLVSIUVBKLEBG-HSZRJFAPSA-N 1 1 487.737 3.168 20 0 JGADMO Cc1cccc(C)c1OCCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001304449373 1067531002 /nfs/dbraw/zinc/53/10/02/1067531002.db2.gz NOOXTTOEMWMEOV-UHFFFAOYSA-N 1 1 468.646 3.407 20 0 JGADMO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1ccc(F)c(F)c1F ZINC001302964386 1067534363 /nfs/dbraw/zinc/53/43/63/1067534363.db2.gz DBLDCGNDKCFHEG-SFHVURJKSA-N 1 1 451.537 3.438 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001304453364 1067534484 /nfs/dbraw/zinc/53/44/84/1067534484.db2.gz NUDXAJGMEASCOK-UHFFFAOYSA-N 1 1 491.640 3.451 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001304453364 1067534492 /nfs/dbraw/zinc/53/44/92/1067534492.db2.gz NUDXAJGMEASCOK-UHFFFAOYSA-N 1 1 491.640 3.451 20 0 JGADMO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001302965726 1067535913 /nfs/dbraw/zinc/53/59/13/1067535913.db2.gz ULTDBTYIBUCBHA-QFIPXVFZSA-N 1 1 476.616 3.034 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001302966185 1067536256 /nfs/dbraw/zinc/53/62/56/1067536256.db2.gz OFIDFIOKQMORNC-NOZRDPDXSA-N 1 1 468.690 3.403 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001302966189 1067536301 /nfs/dbraw/zinc/53/63/01/1067536301.db2.gz OFIDFIOKQMORNC-ZCYQVOJMSA-N 1 1 468.690 3.403 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@](C)(O)c1ccccc1 ZINC001302965976 1067536403 /nfs/dbraw/zinc/53/64/03/1067536403.db2.gz MGRSTFXLUFCIST-OBTVHEKISA-N 1 1 468.690 3.379 20 0 JGADMO Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304456559 1067537154 /nfs/dbraw/zinc/53/71/54/1067537154.db2.gz PVQSHVJPGYUHFB-LJQANCHMSA-N 1 1 482.654 3.420 20 0 JGADMO CC(C)Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC(=O)N1CCCCCC1 ZINC001302966948 1067537264 /nfs/dbraw/zinc/53/72/64/1067537264.db2.gz ZTYKXMHQTMCDEY-PSWAGMNNSA-N 1 1 487.737 3.264 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)n1 ZINC001304460819 1067539904 /nfs/dbraw/zinc/53/99/04/1067539904.db2.gz VMNIQXBJAFPLIY-UHFFFAOYSA-N 1 1 496.681 3.356 20 0 JGADMO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)n1 ZINC001304460819 1067539911 /nfs/dbraw/zinc/53/99/11/1067539911.db2.gz VMNIQXBJAFPLIY-UHFFFAOYSA-N 1 1 496.681 3.356 20 0 JGADMO Fc1ccccc1OCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CC=CCC1 ZINC001302976742 1067542667 /nfs/dbraw/zinc/54/26/67/1067542667.db2.gz FMSUFTRONYBUAL-GOSISDBHSA-N 1 1 455.456 3.026 20 0 JGADMO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304465091 1067543218 /nfs/dbraw/zinc/54/32/18/1067543218.db2.gz MUBHTEHPZZEIBE-DSKINZAPSA-N 1 1 469.634 3.482 20 0 JGADMO CC(C)Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001302985491 1067548315 /nfs/dbraw/zinc/54/83/15/1067548315.db2.gz HTBVLXLTVZIYLW-FGZHOGPDSA-N 1 1 490.693 3.329 20 0 JGADMO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001302990447 1067551868 /nfs/dbraw/zinc/55/18/68/1067551868.db2.gz FFXXPSCATPLMPE-HKBOAZHASA-N 1 1 488.702 3.208 20 0 JGADMO Cc1cccc(-c2nnc(N3CCc4nc(C(F)(F)F)ncc4C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304475174 1067553422 /nfs/dbraw/zinc/55/34/22/1067553422.db2.gz VXKJLLDETUTMJG-UHFFFAOYSA-N 1 1 460.508 3.360 20 0 JGADMO Cc1cccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304478232 1067556629 /nfs/dbraw/zinc/55/66/29/1067556629.db2.gz XZWIHRWKZCIKJB-ZVDOUQERSA-N 1 1 453.635 3.074 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001303010214 1067564924 /nfs/dbraw/zinc/56/49/24/1067564924.db2.gz UDHIWNVDJFASOX-NLFFAJNJSA-N 1 1 459.610 3.430 20 0 JGADMO CC(C)CC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303020197 1067572358 /nfs/dbraw/zinc/57/23/58/1067572358.db2.gz ADUXWSJLPJGVNZ-FTJBHMTQSA-N 1 1 489.636 3.484 20 0 JGADMO CC(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001303021554 1067573459 /nfs/dbraw/zinc/57/34/59/1067573459.db2.gz OSWWFZWKMDWPPB-SFHVURJKSA-N 1 1 477.679 3.241 20 0 JGADMO CC(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001303021553 1067573475 /nfs/dbraw/zinc/57/34/75/1067573475.db2.gz OSWWFZWKMDWPPB-GOSISDBHSA-N 1 1 477.679 3.241 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC(F)(F)F)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001304500942 1067575685 /nfs/dbraw/zinc/57/56/85/1067575685.db2.gz UMGSTRNKIKMCKT-UHFFFAOYSA-N 1 1 468.568 3.438 20 0 JGADMO Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001304501823 1067576072 /nfs/dbraw/zinc/57/60/72/1067576072.db2.gz AEPIUNWEDVVQFC-OAQYLSRUSA-N 1 1 486.661 3.017 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(COc2cccc(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001304503469 1067577647 /nfs/dbraw/zinc/57/76/47/1067577647.db2.gz FGKYGYOQMYKLQK-UHFFFAOYSA-N 1 1 481.645 3.111 20 0 JGADMO Cc1nn(C)c(C)c1Cn1c(COc2cccc(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001304503469 1067577650 /nfs/dbraw/zinc/57/76/50/1067577650.db2.gz FGKYGYOQMYKLQK-UHFFFAOYSA-N 1 1 481.645 3.111 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304507056 1067580739 /nfs/dbraw/zinc/58/07/39/1067580739.db2.gz PKZIZCFCCTVKJE-OAQYLSRUSA-N 1 1 451.619 3.308 20 0 JGADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001304509280 1067583748 /nfs/dbraw/zinc/58/37/48/1067583748.db2.gz UHWPBRVDJVWRLN-QUCCMNQESA-N 1 1 497.562 3.432 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304509695 1067584080 /nfs/dbraw/zinc/58/40/80/1067584080.db2.gz HGLCKGTWCKZNEA-BHIFYINESA-N 1 1 468.646 3.235 20 0 JGADMO CC(C)CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001303040680 1067585552 /nfs/dbraw/zinc/58/55/52/1067585552.db2.gz GURPYWNROZCQHL-HXUWFJFHSA-N 1 1 477.675 3.332 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304511313 1067586447 /nfs/dbraw/zinc/58/64/47/1067586447.db2.gz NCIMMBKCPWKJTE-UHFFFAOYSA-N 1 1 480.613 3.451 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304511323 1067586844 /nfs/dbraw/zinc/58/68/44/1067586844.db2.gz NFTZYFKDEWEYQU-VSKRKVRLSA-N 1 1 457.619 3.280 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)n2CC(C)C)c1 ZINC001304511540 1067587257 /nfs/dbraw/zinc/58/72/57/1067587257.db2.gz DWKHNUPPZYIUPU-DEOSSOPVSA-N 1 1 470.662 3.053 20 0 JGADMO Cc1cccc(OCc2nnc(N3CCN(c4ncccc4F)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001304511811 1067587548 /nfs/dbraw/zinc/58/75/48/1067587548.db2.gz HJKZHDXMLUCFKO-UHFFFAOYSA-N 1 1 467.593 3.366 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CCOC(C)C)CC1 ZINC001304512217 1067588912 /nfs/dbraw/zinc/58/89/12/1067588912.db2.gz NSORGPVJUGHADH-UHFFFAOYSA-N 1 1 481.645 3.263 20 0 JGADMO Cc1cccc(OCCn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304518131 1067593763 /nfs/dbraw/zinc/59/37/63/1067593763.db2.gz SXNLQENOGYJQIC-BDTNDASRSA-N 1 1 457.619 3.105 20 0 JGADMO Cc1cccc(OCCn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304518131 1067593767 /nfs/dbraw/zinc/59/37/67/1067593767.db2.gz SXNLQENOGYJQIC-BDTNDASRSA-N 1 1 457.619 3.105 20 0 JGADMO Cc1ccccc1C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001304522088 1067596908 /nfs/dbraw/zinc/59/69/08/1067596908.db2.gz NSWYFHJAVDIMNK-FQEVSTJZSA-N 1 1 488.702 3.239 20 0 JGADMO CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001303069803 1067604374 /nfs/dbraw/zinc/60/43/74/1067604374.db2.gz UNWCNVJYCQIKLX-APWZRJJASA-N 1 1 465.440 3.249 20 0 JGADMO CC(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001303069824 1067604582 /nfs/dbraw/zinc/60/45/82/1067604582.db2.gz UTSOHVMUTNKRQV-FPOVZHCZSA-N 1 1 462.664 3.035 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001304534939 1067605484 /nfs/dbraw/zinc/60/54/84/1067605484.db2.gz KGJKLEANZYCVIQ-FQEVSTJZSA-N 1 1 488.702 3.236 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304535852 1067606608 /nfs/dbraw/zinc/60/66/08/1067606608.db2.gz WWSQUBZIHFFJDS-QFIPXVFZSA-N 1 1 495.716 3.411 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304535852 1067606610 /nfs/dbraw/zinc/60/66/10/1067606610.db2.gz WWSQUBZIHFFJDS-QFIPXVFZSA-N 1 1 495.716 3.411 20 0 JGADMO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304535852 1067606613 /nfs/dbraw/zinc/60/66/13/1067606613.db2.gz WWSQUBZIHFFJDS-QFIPXVFZSA-N 1 1 495.716 3.411 20 0 JGADMO CCOC(=O)c1sc([C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)C2)nc1C ZINC001303075684 1067609310 /nfs/dbraw/zinc/60/93/10/1067609310.db2.gz HREDETURBMTRAJ-QUCCMNQESA-N 1 1 457.596 3.142 20 0 JGADMO CC(C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001303076161 1067609376 /nfs/dbraw/zinc/60/93/76/1067609376.db2.gz JBGGRWASABSMGK-UHFFFAOYSA-N 1 1 453.591 3.187 20 0 JGADMO CC(C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001303076161 1067609379 /nfs/dbraw/zinc/60/93/79/1067609379.db2.gz JBGGRWASABSMGK-UHFFFAOYSA-N 1 1 453.591 3.187 20 0 JGADMO Cc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001304544714 1067614920 /nfs/dbraw/zinc/61/49/20/1067614920.db2.gz XUWYFQBQDCFOJJ-OAQYLSRUSA-N 1 1 452.647 3.298 20 0 JGADMO CC(C)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001303083700 1067617794 /nfs/dbraw/zinc/61/77/94/1067617794.db2.gz GRBKXVMVVZSJMV-UHFFFAOYSA-N 1 1 467.706 3.467 20 0 JGADMO O=C(NCC(F)(F)F)C1CCN(c2nnc(C3CCCC3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303086426 1067619342 /nfs/dbraw/zinc/61/93/42/1067619342.db2.gz IVJDKYFAQCGHCS-UHFFFAOYSA-N 1 1 454.541 3.093 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304551013 1067620525 /nfs/dbraw/zinc/62/05/25/1067620525.db2.gz NSULYPPXYQNCRE-HSZRJFAPSA-N 1 1 496.700 3.373 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001304552926 1067622551 /nfs/dbraw/zinc/62/25/51/1067622551.db2.gz MCWLVDTURZCVAO-VWLOTQADSA-N 1 1 496.700 3.107 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001304557337 1067626050 /nfs/dbraw/zinc/62/60/50/1067626050.db2.gz RWGPYWWHWBAUDB-QHCPKHFHSA-N 1 1 496.700 3.278 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001304557962 1067626881 /nfs/dbraw/zinc/62/68/81/1067626881.db2.gz XDCLHWBFWKVIPS-UHFFFAOYSA-N 1 1 498.672 3.204 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001304559882 1067628828 /nfs/dbraw/zinc/62/88/28/1067628828.db2.gz COXWKNWNILFMLG-UHFFFAOYSA-N 1 1 480.554 3.462 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCC(=O)N(C)C ZINC001304560551 1067630235 /nfs/dbraw/zinc/63/02/35/1067630235.db2.gz UFUMWEXKIYTJST-FQEVSTJZSA-N 1 1 452.647 3.356 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[S@@](=O)C(C)(C)C ZINC001304560526 1067630300 /nfs/dbraw/zinc/63/03/00/1067630300.db2.gz SVLJBDMQDSWTBM-ZCWHBTPQSA-N 1 1 487.714 3.414 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CCN(CC(F)F)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001304561972 1067632289 /nfs/dbraw/zinc/63/22/89/1067632289.db2.gz SFCNCHJTIHPQJB-OAQYLSRUSA-N 1 1 476.616 3.065 20 0 JGADMO Cc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001304562189 1067632664 /nfs/dbraw/zinc/63/26/64/1067632664.db2.gz UONOEMRPMNYEIR-AREMUKBSSA-N 1 1 467.614 3.225 20 0 JGADMO O=C1CCCN1Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCC(F)(F)F ZINC001303106840 1067644971 /nfs/dbraw/zinc/64/49/71/1067644971.db2.gz YVZRRJNCTCUYNE-UHFFFAOYSA-N 1 1 456.538 3.127 20 0 JGADMO Cc1ccccc1OCCN(C)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001304578238 1067646547 /nfs/dbraw/zinc/64/65/47/1067646547.db2.gz UWLKGLZEYITFGH-UHFFFAOYSA-N 1 1 450.587 3.275 20 0 JGADMO Cc1ccccc1OCCN(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001304578238 1067646554 /nfs/dbraw/zinc/64/65/54/1067646554.db2.gz UWLKGLZEYITFGH-UHFFFAOYSA-N 1 1 450.587 3.275 20 0 JGADMO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303110378 1067648619 /nfs/dbraw/zinc/64/86/19/1067648619.db2.gz UMJLNMRQWRUHJN-PMACEKPBSA-N 1 1 455.607 3.051 20 0 JGADMO Cc1ccccc1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304581901 1067650856 /nfs/dbraw/zinc/65/08/56/1067650856.db2.gz WFVVAEYOJRJCBO-NRFANRHFSA-N 1 1 489.686 3.126 20 0 JGADMO Cc1cccc(OCc2nnc(N3CC=C(C)CC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304598100 1067661210 /nfs/dbraw/zinc/66/12/10/1067661210.db2.gz LSAWSUJQTCXFRK-QHCPKHFHSA-N 1 1 466.630 3.265 20 0 JGADMO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)c1 ZINC001304598782 1067662285 /nfs/dbraw/zinc/66/22/85/1067662285.db2.gz HTEVXCRROCXUAP-VWPQPMDRSA-N 1 1 470.666 3.131 20 0 JGADMO Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CC[N@H+](C)C(C)C)CCO2)c1 ZINC001304600386 1067664163 /nfs/dbraw/zinc/66/41/63/1067664163.db2.gz BMIWPKYGDXRVTD-IBGZPJMESA-N 1 1 458.010 3.349 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001303143194 1067681807 /nfs/dbraw/zinc/68/18/07/1067681807.db2.gz AYOUJYDPKJRBNO-RBUKOAKNSA-N 1 1 452.525 3.356 20 0 JGADMO Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001304614847 1067682193 /nfs/dbraw/zinc/68/21/93/1067682193.db2.gz UUILBDSDEGEEKD-NRFANRHFSA-N 1 1 450.587 3.385 20 0 JGADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303144397 1067683813 /nfs/dbraw/zinc/68/38/13/1067683813.db2.gz QEVWHPYVLFAMDO-ICSRJNTNSA-N 1 1 485.526 3.012 20 0 JGADMO OC[C@H]1CCC[N@H+]1CCCCn1c(C2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001303144706 1067683849 /nfs/dbraw/zinc/68/38/49/1067683849.db2.gz UFWDMYOETHZHKJ-HXUWFJFHSA-N 1 1 472.600 3.247 20 0 JGADMO Cc1csc([C@@H](C)Cn2c(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)n1 ZINC001304617900 1067685966 /nfs/dbraw/zinc/68/59/66/1067685966.db2.gz DUKFTCRNMHDFGW-FPOVZHCZSA-N 1 1 489.734 3.375 20 0 JGADMO OCCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 ZINC001303152793 1067689144 /nfs/dbraw/zinc/68/91/44/1067689144.db2.gz FBAQBBHFJLONGC-SFHVURJKSA-N 1 1 453.509 3.079 20 0 JGADMO Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOCC3(C)C)CCO2)n1 ZINC001304626284 1067696995 /nfs/dbraw/zinc/69/69/95/1067696995.db2.gz ZSPOQDBKLMBXPW-GOSISDBHSA-N 1 1 462.664 3.320 20 0 JGADMO Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOCC3(C)C)CCO2)n1 ZINC001304626284 1067696996 /nfs/dbraw/zinc/69/69/96/1067696996.db2.gz ZSPOQDBKLMBXPW-GOSISDBHSA-N 1 1 462.664 3.320 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)C1 ZINC001303172226 1067705162 /nfs/dbraw/zinc/70/51/62/1067705162.db2.gz CISSOZBHUFMDIJ-GOSISDBHSA-N 1 1 481.613 3.483 20 0 JGADMO Cc1cscc1Cn1c(Cc2cccnc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304637855 1067706244 /nfs/dbraw/zinc/70/62/44/1067706244.db2.gz ISJWDJZCISTBHH-UHFFFAOYSA-N 1 1 454.644 3.477 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001303173264 1067706934 /nfs/dbraw/zinc/70/69/34/1067706934.db2.gz QVEBRJYRUDWGPS-KRWDZBQOSA-N 1 1 491.566 3.492 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001303173498 1067707007 /nfs/dbraw/zinc/70/70/07/1067707007.db2.gz RKDOYWHLMGJKJL-DLBZAZTESA-N 1 1 494.482 3.114 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303173524 1067707618 /nfs/dbraw/zinc/70/76/18/1067707618.db2.gz RPEPRSZEKMICRQ-GOSISDBHSA-N 1 1 489.462 3.354 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001303174599 1067707973 /nfs/dbraw/zinc/70/79/73/1067707973.db2.gz ZDQRXYJJSVXIJS-GOSISDBHSA-N 1 1 495.093 3.375 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001303174643 1067707996 /nfs/dbraw/zinc/70/79/96/1067707996.db2.gz ZXIAAXOFPWEXQZ-RBBKRZOGSA-N 1 1 489.064 3.455 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001303178447 1067710981 /nfs/dbraw/zinc/71/09/81/1067710981.db2.gz LDBRWHRWJKHNMG-FGZHOGPDSA-N 1 1 460.667 3.370 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001303178446 1067711045 /nfs/dbraw/zinc/71/10/45/1067711045.db2.gz LDBRWHRWJKHNMG-FCHUYYIVSA-N 1 1 460.667 3.370 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001303178161 1067711153 /nfs/dbraw/zinc/71/11/53/1067711153.db2.gz JQPKEEPDDAQOAM-FGZHOGPDSA-N 1 1 496.766 3.343 20 0 JGADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001303178513 1067711487 /nfs/dbraw/zinc/71/14/87/1067711487.db2.gz MFJPPDZICPJVKD-VLECTGLKSA-N 1 1 474.694 3.266 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001303179073 1067712773 /nfs/dbraw/zinc/71/27/73/1067712773.db2.gz PYXMKPLTXRBTSY-FPOVZHCZSA-N 1 1 477.650 3.324 20 0 JGADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303179347 1067713364 /nfs/dbraw/zinc/71/33/64/1067713364.db2.gz UOECKIHEUFTNEV-UFYCRDLUSA-N 1 1 472.600 3.223 20 0 JGADMO Cc1nc(-c2ccc(Cn3c(N(C)CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)nnc3C(C)(C)C)cc2)n[nH]1 ZINC001304645627 1067713917 /nfs/dbraw/zinc/71/39/17/1067713917.db2.gz JISRISZDUJUDJR-HDICACEKSA-N 1 1 466.634 3.263 20 0 JGADMO Cc1nc(-c2ccc(Cn3c(N(C)CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)nnc3C(C)(C)C)cc2)n[nH]1 ZINC001304645627 1067713922 /nfs/dbraw/zinc/71/39/22/1067713922.db2.gz JISRISZDUJUDJR-HDICACEKSA-N 1 1 466.634 3.263 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1=O ZINC001303184761 1067718347 /nfs/dbraw/zinc/71/83/47/1067718347.db2.gz ORHPYIRRDFFICX-MOPGFXCFSA-N 1 1 475.037 3.012 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C1=O ZINC001303184761 1067718352 /nfs/dbraw/zinc/71/83/52/1067718352.db2.gz ORHPYIRRDFFICX-MOPGFXCFSA-N 1 1 475.037 3.012 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1=O ZINC001303184763 1067718362 /nfs/dbraw/zinc/71/83/62/1067718362.db2.gz ORHPYIRRDFFICX-RBUKOAKNSA-N 1 1 475.037 3.012 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)[C@H](C)C1=O ZINC001303184763 1067718368 /nfs/dbraw/zinc/71/83/68/1067718368.db2.gz ORHPYIRRDFFICX-RBUKOAKNSA-N 1 1 475.037 3.012 20 0 JGADMO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001303185341 1067720255 /nfs/dbraw/zinc/72/02/55/1067720255.db2.gz ZJNBNTWTKBPJSZ-FQEVSTJZSA-N 1 1 461.054 3.345 20 0 JGADMO Cc1nc(Cc2nnc(N(C)Cc3cnn(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001304654630 1067722782 /nfs/dbraw/zinc/72/27/82/1067722782.db2.gz NKFMUWUVWRWHJM-HDICACEKSA-N 1 1 456.664 3.372 20 0 JGADMO CC(C)CN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001303189267 1067723461 /nfs/dbraw/zinc/72/34/61/1067723461.db2.gz QEUFNGGIRKINHN-NRFANRHFSA-N 1 1 463.630 3.109 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CCc3cnccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001304656720 1067725042 /nfs/dbraw/zinc/72/50/42/1067725042.db2.gz ONTXXNHEMRKVCF-HXUWFJFHSA-N 1 1 454.648 3.223 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2ccc(O)cc2)cs1 ZINC001304656422 1067725061 /nfs/dbraw/zinc/72/50/61/1067725061.db2.gz KURAZCDUBNEDHM-HDICACEKSA-N 1 1 470.643 3.128 20 0 JGADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2ccc(O)cc2)cs1 ZINC001304656422 1067725067 /nfs/dbraw/zinc/72/50/67/1067725067.db2.gz KURAZCDUBNEDHM-HDICACEKSA-N 1 1 470.643 3.128 20 0 JGADMO CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1=O ZINC001303192039 1067726429 /nfs/dbraw/zinc/72/64/29/1067726429.db2.gz LXUXJPONWZRGPQ-CIAFKFPVSA-N 1 1 474.694 3.232 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H]2C)[C@@H](C)C1=O ZINC001303196347 1067730317 /nfs/dbraw/zinc/73/03/17/1067730317.db2.gz IJBPSWVHMWSFSS-UXHICEINSA-N 1 1 456.610 3.185 20 0 JGADMO CC(C)CN1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001303196562 1067730894 /nfs/dbraw/zinc/73/08/94/1067730894.db2.gz WMBUKCGBNBWMCK-OYRHEFFESA-N 1 1 474.694 3.203 20 0 JGADMO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)Cc4ccccc4)CC3)n2CCC(=O)N(C)C)cs1 ZINC001304665292 1067731928 /nfs/dbraw/zinc/73/19/28/1067731928.db2.gz FGBKPNIRVVYUTP-UHFFFAOYSA-N 1 1 495.697 3.461 20 0 JGADMO CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1=O ZINC001303197855 1067732742 /nfs/dbraw/zinc/73/27/42/1067732742.db2.gz ZPSYOWLUWPVKOP-PKTZIBPZSA-N 1 1 489.668 3.478 20 0 JGADMO CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)[C@H](C)C1=O ZINC001303198917 1067735093 /nfs/dbraw/zinc/73/50/93/1067735093.db2.gz PAQKICRMMHBESK-RTBURBONSA-N 1 1 472.609 3.172 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC[C@@H]2C)C1 ZINC001303200859 1067736658 /nfs/dbraw/zinc/73/66/58/1067736658.db2.gz GDQMHCKHXBMSTI-FXAWDEMLSA-N 1 1 465.545 3.128 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccc(Cl)cc2)C1 ZINC001303202160 1067738520 /nfs/dbraw/zinc/73/85/20/1067738520.db2.gz VZWZHNFKFPJBKL-JOCHJYFZSA-N 1 1 489.064 3.203 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CCC(=O)NC(C)C)cs1 ZINC001304669776 1067738572 /nfs/dbraw/zinc/73/85/72/1067738572.db2.gz JNVFVMASRGBJIU-QGZVFWFLSA-N 1 1 487.699 3.493 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(N3C[C@H](C)CC[C@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303203216 1067739032 /nfs/dbraw/zinc/73/90/32/1067739032.db2.gz COKFDNZYURCARS-ILSIFQBBSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001303203934 1067739505 /nfs/dbraw/zinc/73/95/05/1067739505.db2.gz HYVGYEFOYJTXBL-MSOLQXFVSA-N 1 1 465.614 3.446 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001303203936 1067739570 /nfs/dbraw/zinc/73/95/70/1067739570.db2.gz HYVGYEFOYJTXBL-QZTJIDSGSA-N 1 1 465.614 3.446 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001303203984 1067739940 /nfs/dbraw/zinc/73/99/40/1067739940.db2.gz IXYXZOJKJQQEFA-RUZDIDTESA-N 1 1 483.705 3.177 20 0 JGADMO CC(C)CN1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001303203984 1067739943 /nfs/dbraw/zinc/73/99/43/1067739943.db2.gz IXYXZOJKJQQEFA-RUZDIDTESA-N 1 1 483.705 3.177 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CCN(Cc4ccsc4)CC3)nnc2C(C)(C)C)C1 ZINC001303203947 1067740025 /nfs/dbraw/zinc/74/00/25/1067740025.db2.gz IBBPRLZJNUKNBB-OAQYLSRUSA-N 1 1 460.692 3.316 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C3CCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001303204126 1067740805 /nfs/dbraw/zinc/74/08/05/1067740805.db2.gz GBVBVLSTWMVEPM-GOSISDBHSA-N 1 1 457.541 3.250 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc4cccnc43)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001303204233 1067741203 /nfs/dbraw/zinc/74/12/03/1067741203.db2.gz GFCHYCRFHIFEEL-OAQYLSRUSA-N 1 1 493.656 3.201 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cnccn3)nnc2N(C)CCOc2cccc(Cl)c2)C1 ZINC001303205426 1067742704 /nfs/dbraw/zinc/74/27/04/1067742704.db2.gz RGBJGVYOJKZCPK-NRFANRHFSA-N 1 1 486.020 3.261 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001303205359 1067742841 /nfs/dbraw/zinc/74/28/41/1067742841.db2.gz QIZWXIJRASMLND-SFTDATJTSA-N 1 1 499.660 3.143 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCSCC2)C1 ZINC001303206463 1067743775 /nfs/dbraw/zinc/74/37/75/1067743775.db2.gz SQTRVWHKTMJJMX-UXHICEINSA-N 1 1 494.706 3.260 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CCNC(=O)C(C)(C)C)cs1 ZINC001304673819 1067743912 /nfs/dbraw/zinc/74/39/12/1067743912.db2.gz CMXBOPXCQVWDMD-UHFFFAOYSA-N 1 1 487.699 3.180 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001303206545 1067744070 /nfs/dbraw/zinc/74/40/70/1067744070.db2.gz TYNBYDDSSNZYRG-NRFANRHFSA-N 1 1 456.635 3.015 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCSC[C@H]2C)C1 ZINC001303206636 1067744168 /nfs/dbraw/zinc/74/41/68/1067744168.db2.gz VFWWLCVXBXYKCP-SJLPKXTDSA-N 1 1 451.040 3.292 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001303206686 1067744751 /nfs/dbraw/zinc/74/47/51/1067744751.db2.gz WADJYQBCXCZEAA-VQTJNVASSA-N 1 1 482.551 3.245 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCCSC2)cs1 ZINC001304674548 1067744999 /nfs/dbraw/zinc/74/49/99/1067744999.db2.gz RDBIXBQKCDWJAU-IBGZPJMESA-N 1 1 464.705 3.324 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001303207413 1067745211 /nfs/dbraw/zinc/74/52/11/1067745211.db2.gz VRABNIDZCOXLNA-HSZRJFAPSA-N 1 1 456.635 3.015 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303206957 1067745236 /nfs/dbraw/zinc/74/52/36/1067745236.db2.gz XKADGDGRWOHITD-OAQYLSRUSA-N 1 1 468.577 3.351 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001304674669 1067745338 /nfs/dbraw/zinc/74/53/38/1067745338.db2.gz UMPPHGFCSUUATG-OAHLLOKOSA-N 1 1 489.587 3.141 20 0 JGADMO Cc1nc(Cc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001304674573 1067745387 /nfs/dbraw/zinc/74/53/87/1067745387.db2.gz RUHMNPJRSJYXEI-QFIPXVFZSA-N 1 1 489.734 3.301 20 0 JGADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCOC[C@H]2C)C1 ZINC001303207553 1067745448 /nfs/dbraw/zinc/74/54/48/1067745448.db2.gz ZOJOGXDICWVZQW-AEFFLSMTSA-N 1 1 451.974 3.320 20 0 JGADMO Cc1nc(Cc2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCCCCO)cs1 ZINC001304674819 1067745753 /nfs/dbraw/zinc/74/57/53/1067745753.db2.gz WZVQOVNQTYRGBS-UHFFFAOYSA-N 1 1 458.607 3.258 20 0 JGADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3F)CC2)C1 ZINC001303208685 1067746107 /nfs/dbraw/zinc/74/61/07/1067746107.db2.gz XRMIVBFGSUGJKL-HXUWFJFHSA-N 1 1 473.641 3.084 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cs1 ZINC001304675400 1067746405 /nfs/dbraw/zinc/74/64/05/1067746405.db2.gz IFQHSOZEXKXIKK-OAQYLSRUSA-N 1 1 476.691 3.386 20 0 JGADMO CC(C)COC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001303210555 1067748221 /nfs/dbraw/zinc/74/82/21/1067748221.db2.gz NOCDQOSECUZHNM-QFIPXVFZSA-N 1 1 483.661 3.301 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304676502 1067748263 /nfs/dbraw/zinc/74/82/63/1067748263.db2.gz XOWOJJAZJZLGAF-DXIQSLLYSA-N 1 1 476.691 3.384 20 0 JGADMO Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001304676630 1067748729 /nfs/dbraw/zinc/74/87/29/1067748729.db2.gz ZWSOMWZXJKBUSG-LEWJYISDSA-N 1 1 476.691 3.242 20 0 JGADMO Cc1nc(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)C2)no1 ZINC001304676998 1067749023 /nfs/dbraw/zinc/74/90/23/1067749023.db2.gz NGJQHLBPQGIJAR-SIKLNZKXSA-N 1 1 494.644 3.087 20 0 JGADMO Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)C2)no1 ZINC001304678017 1067749991 /nfs/dbraw/zinc/74/99/91/1067749991.db2.gz JLRNYKMGKSPANR-HXUWFJFHSA-N 1 1 472.682 3.043 20 0 JGADMO Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)C2)no1 ZINC001304678017 1067750000 /nfs/dbraw/zinc/75/00/00/1067750000.db2.gz JLRNYKMGKSPANR-HXUWFJFHSA-N 1 1 472.682 3.043 20 0 JGADMO Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)C2)no1 ZINC001304678017 1067750010 /nfs/dbraw/zinc/75/00/10/1067750010.db2.gz JLRNYKMGKSPANR-HXUWFJFHSA-N 1 1 472.682 3.043 20 0 JGADMO CC(C)COC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303213861 1067751386 /nfs/dbraw/zinc/75/13/86/1067751386.db2.gz WIFCZCTWAWORHA-UHFFFAOYSA-N 1 1 497.688 3.133 20 0 JGADMO Cc1nc(CCn2c(Cc3ccccc3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n[nH]1 ZINC001304684434 1067756609 /nfs/dbraw/zinc/75/66/09/1067756609.db2.gz HUZZRIHPBSNFHX-UHFFFAOYSA-N 1 1 450.635 3.403 20 0 JGADMO Cc1n[nH]c(CCn2c(Cc3ccccc3C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC001304684434 1067756611 /nfs/dbraw/zinc/75/66/11/1067756611.db2.gz HUZZRIHPBSNFHX-UHFFFAOYSA-N 1 1 450.635 3.403 20 0 JGADMO Cc1n[nH]c(CCn2c(Cc3ccccc3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001304684434 1067756614 /nfs/dbraw/zinc/75/66/14/1067756614.db2.gz HUZZRIHPBSNFHX-UHFFFAOYSA-N 1 1 450.635 3.403 20 0 JGADMO Cc1nnc(CCn2c(Cc3ccccc3C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)[nH]1 ZINC001304684434 1067756621 /nfs/dbraw/zinc/75/66/21/1067756621.db2.gz HUZZRIHPBSNFHX-UHFFFAOYSA-N 1 1 450.635 3.403 20 0 JGADMO Cc1nnc(CCn2c(Cc3ccccc3C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)[nH]1 ZINC001304684434 1067756625 /nfs/dbraw/zinc/75/66/25/1067756625.db2.gz HUZZRIHPBSNFHX-UHFFFAOYSA-N 1 1 450.635 3.403 20 0 JGADMO CC(C)COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001303220446 1067757785 /nfs/dbraw/zinc/75/77/85/1067757785.db2.gz AJASPOUXMCBRSK-OAQYLSRUSA-N 1 1 454.619 3.174 20 0 JGADMO CC(C)CO[C@H]1CCN(c2nnc(C(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001303224096 1067760651 /nfs/dbraw/zinc/76/06/51/1067760651.db2.gz IFYVVQKGHKDHIQ-DEOSSOPVSA-N 1 1 454.663 3.471 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304690884 1067764104 /nfs/dbraw/zinc/76/41/04/1067764104.db2.gz NKIKPYYDGCNKNY-GLDPYIMESA-N 1 1 492.690 3.219 20 0 JGADMO Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001304691356 1067764814 /nfs/dbraw/zinc/76/48/14/1067764814.db2.gz WRIHKGMWXXQBCX-NYHFZMIOSA-N 1 1 460.579 3.025 20 0 JGADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)CCCS(C)(=O)=O)cc1F ZINC001304701796 1067773233 /nfs/dbraw/zinc/77/32/33/1067773233.db2.gz NTBLTHIQIFDHNY-UHFFFAOYSA-N 1 1 462.595 3.029 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001304702052 1067773564 /nfs/dbraw/zinc/77/35/64/1067773564.db2.gz UAOMAIWHRANBOW-QGZVFWFLSA-N 1 1 456.620 3.196 20 0 JGADMO Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001304702440 1067773969 /nfs/dbraw/zinc/77/39/69/1067773969.db2.gz YBAWCPCLBOIDCH-UHFFFAOYSA-N 1 1 479.482 3.163 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001304702956 1067775532 /nfs/dbraw/zinc/77/55/32/1067775532.db2.gz ACZVCWQDBJDNAD-IBGZPJMESA-N 1 1 450.591 3.019 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001304703048 1067775618 /nfs/dbraw/zinc/77/56/18/1067775618.db2.gz CBXLAXLCMYAZBW-UHFFFAOYSA-N 1 1 460.464 3.219 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001304703399 1067775861 /nfs/dbraw/zinc/77/58/61/1067775861.db2.gz GDGCGMHMAYBJMM-MRXNPFEDSA-N 1 1 450.513 3.331 20 0 JGADMO Cc1nccn1CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001304703898 1067776521 /nfs/dbraw/zinc/77/65/21/1067776521.db2.gz LNRMVAJQKADRSM-UHFFFAOYSA-N 1 1 484.674 3.175 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001304704093 1067776570 /nfs/dbraw/zinc/77/65/70/1067776570.db2.gz CBQNBTXBWHPJSX-AWEZNQCLSA-N 1 1 490.381 3.109 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001304704189 1067776897 /nfs/dbraw/zinc/77/68/97/1067776897.db2.gz KXTZEKPMBHGUNA-FQEVSTJZSA-N 1 1 495.632 3.462 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001304704377 1067777294 /nfs/dbraw/zinc/77/72/94/1067777294.db2.gz YPUBEOHSDHYOGE-GOSISDBHSA-N 1 1 478.569 3.080 20 0 JGADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001304704909 1067777393 /nfs/dbraw/zinc/77/73/93/1067777393.db2.gz RVRCEAAIRZJDTO-IEBWSBKVSA-N 1 1 469.565 3.244 20 0 JGADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)NC(C)C ZINC001304704528 1067777407 /nfs/dbraw/zinc/77/74/07/1067777407.db2.gz PWEUGPJOQOZDCB-TZIWHRDSSA-N 1 1 459.639 3.143 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001304704568 1067777443 /nfs/dbraw/zinc/77/74/43/1067777443.db2.gz QWZNZCZUFWJXML-DYESRHJHSA-N 1 1 469.565 3.117 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001303251840 1067777870 /nfs/dbraw/zinc/77/78/70/1067777870.db2.gz JVSWSNGMKBCXKM-UHFFFAOYSA-N 1 1 489.064 3.404 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001304705601 1067778245 /nfs/dbraw/zinc/77/82/45/1067778245.db2.gz RUAZNJJUHNEUJT-UHFFFAOYSA-N 1 1 466.590 3.429 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001304705799 1067778627 /nfs/dbraw/zinc/77/86/27/1067778627.db2.gz VEYSYFBOLMAKLK-IEBWSBKVSA-N 1 1 468.606 3.228 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001304705900 1067778668 /nfs/dbraw/zinc/77/86/68/1067778668.db2.gz WNHILLQFTZGJPJ-GOSISDBHSA-N 1 1 466.590 3.381 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304707574 1067779353 /nfs/dbraw/zinc/77/93/53/1067779353.db2.gz LKQKEVIGDLTELS-JOCHJYFZSA-N 1 1 498.550 3.262 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001304707515 1067779365 /nfs/dbraw/zinc/77/93/65/1067779365.db2.gz LJZXJAGPHUSFMQ-RXVVDRJESA-N 1 1 480.617 3.209 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001304707508 1067779409 /nfs/dbraw/zinc/77/94/09/1067779409.db2.gz LHSYPWKZTVSTTR-UHFFFAOYSA-N 1 1 461.492 3.207 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001304708203 1067779904 /nfs/dbraw/zinc/77/99/04/1067779904.db2.gz YBRPDPMOFICBMI-HNNXBMFYSA-N 1 1 492.411 3.426 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303254669 1067779938 /nfs/dbraw/zinc/77/99/38/1067779938.db2.gz FJPGXYZGRDHEAQ-NRFANRHFSA-N 1 1 480.579 3.355 20 0 JGADMO Cc1[nH+]ccn1CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001304708789 1067780367 /nfs/dbraw/zinc/78/03/67/1067780367.db2.gz FGPFSHDLKREDFW-LJQANCHMSA-N 1 1 474.556 3.373 20 0 JGADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1 ZINC001304710075 1067781113 /nfs/dbraw/zinc/78/11/13/1067781113.db2.gz DBBRVNSRCADDMK-SFHVURJKSA-N 1 1 460.007 3.008 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001303255178 1067781131 /nfs/dbraw/zinc/78/11/31/1067781131.db2.gz YDAGFMFSTDPMME-PKTZIBPZSA-N 1 1 489.686 3.074 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001304710459 1067781521 /nfs/dbraw/zinc/78/15/21/1067781521.db2.gz IYKLTOFSCISPAV-LMMKCTJWSA-N 1 1 491.662 3.122 20 0 JGADMO CC(C)N(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303255649 1067782227 /nfs/dbraw/zinc/78/22/27/1067782227.db2.gz NEKMFXLUKUAILD-QFIPXVFZSA-N 1 1 486.636 3.136 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N(CCO)CCc1ccccc1 ZINC001304711252 1067782254 /nfs/dbraw/zinc/78/22/54/1067782254.db2.gz PXDYUYSBHYBDJP-UHFFFAOYSA-N 1 1 484.402 3.282 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC001303255992 1067782966 /nfs/dbraw/zinc/78/29/66/1067782966.db2.gz GXKCMNQQPZKLIN-UMSFTDKQSA-N 1 1 483.686 3.162 20 0 JGADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCc1cccs1 ZINC001304711968 1067782968 /nfs/dbraw/zinc/78/29/68/1067782968.db2.gz RUWBYXVOHNABBD-UHFFFAOYSA-N 1 1 499.666 3.141 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001303256499 1067783241 /nfs/dbraw/zinc/78/32/41/1067783241.db2.gz LMOLYRSVFJKPFW-UHFFFAOYSA-N 1 1 498.697 3.486 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001303256602 1067783305 /nfs/dbraw/zinc/78/33/05/1067783305.db2.gz MWPTYDICIYVILC-IBGZPJMESA-N 1 1 480.583 3.176 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@@H](C)C1 ZINC001304712577 1067783593 /nfs/dbraw/zinc/78/35/93/1067783593.db2.gz TWKAZDALGXNLBC-AZUAARDMSA-N 1 1 473.622 3.213 20 0 JGADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001303258273 1067785101 /nfs/dbraw/zinc/78/51/01/1067785101.db2.gz LEGYYTUFKNXGSV-FQEVSTJZSA-N 1 1 478.588 3.426 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001303261296 1067786988 /nfs/dbraw/zinc/78/69/88/1067786988.db2.gz DIBNXSQVFWJDSV-HSZRJFAPSA-N 1 1 489.686 3.474 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)C1 ZINC001303261213 1067787035 /nfs/dbraw/zinc/78/70/35/1067787035.db2.gz BCNLXBHSXUAPGK-UHFFFAOYSA-N 1 1 469.815 3.028 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303261505 1067787421 /nfs/dbraw/zinc/78/74/21/1067787421.db2.gz KWZYBEDJIVBXGM-AWEZNQCLSA-N 1 1 469.453 3.201 20 0 JGADMO Cc1[nH+]ccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCOC1 ZINC001304716584 1067788337 /nfs/dbraw/zinc/78/83/37/1067788337.db2.gz VHSDPXDGMSJWHE-AQNXPRMDSA-N 1 1 473.622 3.117 20 0 JGADMO Cc1[nH+]ccn1CCn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 ZINC001304716695 1067788704 /nfs/dbraw/zinc/78/87/04/1067788704.db2.gz YDSPSXWGFQZNRH-MOPGFXCFSA-N 1 1 470.643 3.211 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304718845 1067790089 /nfs/dbraw/zinc/79/00/89/1067790089.db2.gz FIRNJTFBTYSQHR-HDICACEKSA-N 1 1 453.639 3.033 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001303262975 1067790132 /nfs/dbraw/zinc/79/01/32/1067790132.db2.gz KUJGAZIPGSLFNG-LJQANCHMSA-N 1 1 459.639 3.460 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001303262933 1067790146 /nfs/dbraw/zinc/79/01/46/1067790146.db2.gz JCEULTZBKZOIAT-IBGZPJMESA-N 1 1 495.093 3.333 20 0 JGADMO CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001303263307 1067790734 /nfs/dbraw/zinc/79/07/34/1067790734.db2.gz AUCWUKXHHNAMKV-UHFFFAOYSA-N 1 1 466.609 3.317 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001303263307 1067790747 /nfs/dbraw/zinc/79/07/47/1067790747.db2.gz AUCWUKXHHNAMKV-UHFFFAOYSA-N 1 1 466.609 3.317 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnccn2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001304720419 1067791440 /nfs/dbraw/zinc/79/14/40/1067791440.db2.gz UHJSMTPRHNULCG-UHFFFAOYSA-N 1 1 451.623 3.376 20 0 JGADMO CC(C)n1nc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001303264227 1067791636 /nfs/dbraw/zinc/79/16/36/1067791636.db2.gz HQMHYWWCSLSHSS-KNQAVFIVSA-N 1 1 481.645 3.173 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001303264516 1067791975 /nfs/dbraw/zinc/79/19/75/1067791975.db2.gz CWKLKLZWDDSKPY-MRXNPFEDSA-N 1 1 455.529 3.138 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccccc2F)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304721159 1067792125 /nfs/dbraw/zinc/79/21/25/1067792125.db2.gz BNCCGEFICTWOTB-KDURUIRLSA-N 1 1 499.635 3.482 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O ZINC001303265140 1067792322 /nfs/dbraw/zinc/79/23/22/1067792322.db2.gz HAHBCDDTCYOFPW-UHFFFAOYSA-N 1 1 454.619 3.329 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001303264861 1067792498 /nfs/dbraw/zinc/79/24/98/1067792498.db2.gz ZAEDRVADNUVWNX-UHFFFAOYSA-N 1 1 499.679 3.339 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303265465 1067792719 /nfs/dbraw/zinc/79/27/19/1067792719.db2.gz KAOPPIHKINQWNL-VWLOTQADSA-N 1 1 487.599 3.363 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001304722313 1067793406 /nfs/dbraw/zinc/79/34/06/1067793406.db2.gz NXCPHEZHDNGQFM-UHFFFAOYSA-N 1 1 469.609 3.106 20 0 JGADMO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001304722313 1067793416 /nfs/dbraw/zinc/79/34/16/1067793416.db2.gz NXCPHEZHDNGQFM-UHFFFAOYSA-N 1 1 469.609 3.106 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001303266470 1067793619 /nfs/dbraw/zinc/79/36/19/1067793619.db2.gz QRWLTFXSEFRVSH-MOPGFXCFSA-N 1 1 450.628 3.353 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001303267071 1067794111 /nfs/dbraw/zinc/79/41/11/1067794111.db2.gz YUVFDOJSAVVOMP-OAQYLSRUSA-N 1 1 472.609 3.004 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303267698 1067794676 /nfs/dbraw/zinc/79/46/76/1067794676.db2.gz FYQMQHBGJLLJIY-KRWDZBQOSA-N 1 1 493.450 3.052 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001303267982 1067795121 /nfs/dbraw/zinc/79/51/21/1067795121.db2.gz MDQBMIQKAFVHGN-UHFFFAOYSA-N 1 1 465.621 3.456 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001303267903 1067795474 /nfs/dbraw/zinc/79/54/74/1067795474.db2.gz JRWFGPUWMFICJQ-HXUWFJFHSA-N 1 1 472.659 3.094 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCCC(F)(F)F)CC1 ZINC001304725264 1067797664 /nfs/dbraw/zinc/79/76/64/1067797664.db2.gz BDOMSMGSMWLJMJ-UHFFFAOYSA-N 1 1 476.551 3.279 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001303269202 1067797813 /nfs/dbraw/zinc/79/78/13/1067797813.db2.gz UEJWGSSVRNRTSC-UHFFFAOYSA-N 1 1 484.576 3.282 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)CCC(C)C)CC1 ZINC001304725785 1067797966 /nfs/dbraw/zinc/79/79/66/1067797966.db2.gz JNDHVHLCHIDYQU-MHZLTWQESA-N 1 1 494.688 3.124 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCOC(C)(C)C)CC1 ZINC001304725774 1067798005 /nfs/dbraw/zinc/79/80/05/1067798005.db2.gz IZBSQCBLAGLRJI-UHFFFAOYSA-N 1 1 499.635 3.484 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001303269272 1067797964 /nfs/dbraw/zinc/79/79/64/1067797964.db2.gz WLCUMPZIMVIPMK-FQEVSTJZSA-N 1 1 484.004 3.497 20 0 JGADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001304726082 1067798696 /nfs/dbraw/zinc/79/86/96/1067798696.db2.gz PFEJJDYOPCHATA-UHFFFAOYSA-N 1 1 480.661 3.380 20 0 JGADMO Cc1cc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n(C)n1 ZINC001304727227 1067799272 /nfs/dbraw/zinc/79/92/72/1067799272.db2.gz FLJHMIXCPXYVHZ-UHFFFAOYSA-N 1 1 472.037 3.483 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001303270405 1067799306 /nfs/dbraw/zinc/79/93/06/1067799306.db2.gz KDCOQRMJTDKLRU-LJQANCHMSA-N 1 1 457.600 3.276 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001303270928 1067799731 /nfs/dbraw/zinc/79/97/31/1067799731.db2.gz MTEIXUBQNLHQTN-KSFYIVLOSA-N 1 1 451.974 3.462 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001303271040 1067800145 /nfs/dbraw/zinc/80/01/45/1067800145.db2.gz IGHZELAPZJTSMW-UHFFFAOYSA-N 1 1 453.635 3.299 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001303271679 1067800537 /nfs/dbraw/zinc/80/05/37/1067800537.db2.gz RRQQNDCNHKRNDB-UHFFFAOYSA-N 1 1 456.541 3.447 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001303271739 1067800586 /nfs/dbraw/zinc/80/05/86/1067800586.db2.gz TXBQBGAABQGIAO-CYBMUJFWSA-N 1 1 469.815 3.013 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001303271998 1067801015 /nfs/dbraw/zinc/80/10/15/1067801015.db2.gz WWHDDXGNELEWCV-KRWDZBQOSA-N 1 1 482.551 3.129 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303274271 1067801573 /nfs/dbraw/zinc/80/15/73/1067801573.db2.gz BNDRKVCIKFFTHS-HXUWFJFHSA-N 1 1 486.642 3.344 20 0 JGADMO CC(C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 ZINC001303274365 1067801633 /nfs/dbraw/zinc/80/16/33/1067801633.db2.gz DMIFDPCSHWKHNF-HSZRJFAPSA-N 1 1 462.683 3.189 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 ZINC001303274365 1067801642 /nfs/dbraw/zinc/80/16/42/1067801642.db2.gz DMIFDPCSHWKHNF-HSZRJFAPSA-N 1 1 462.683 3.189 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001303275027 1067802465 /nfs/dbraw/zinc/80/24/65/1067802465.db2.gz QICMNZZQDRXYOS-UHFFFAOYSA-N 1 1 473.710 3.189 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001303275408 1067802788 /nfs/dbraw/zinc/80/27/88/1067802788.db2.gz CBTZJQNCVGLTET-FFSRPXEDSA-N 1 1 490.693 3.330 20 0 JGADMO CC(C)[N@H+](C)CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001303275796 1067803463 /nfs/dbraw/zinc/80/34/63/1067803463.db2.gz HIGVZVWIWLJMIT-NZQKXSOJSA-N 1 1 458.699 3.460 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001303275796 1067803472 /nfs/dbraw/zinc/80/34/72/1067803472.db2.gz HIGVZVWIWLJMIT-NZQKXSOJSA-N 1 1 458.699 3.460 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303276293 1067803908 /nfs/dbraw/zinc/80/39/08/1067803908.db2.gz FHFYWFQGRARRQH-UHFFFAOYSA-N 1 1 456.635 3.461 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSC(C)(C)C1 ZINC001303276713 1067804690 /nfs/dbraw/zinc/80/46/90/1067804690.db2.gz NKRJHOSJRMNSQI-UHFFFAOYSA-N 1 1 458.680 3.124 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001303277325 1067804713 /nfs/dbraw/zinc/80/47/13/1067804713.db2.gz UEXXVGXXJKWUQG-FQEVSTJZSA-N 1 1 475.037 3.128 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001303277955 1067805085 /nfs/dbraw/zinc/80/50/85/1067805085.db2.gz XDNPPLGVONJRIW-UHFFFAOYSA-N 1 1 459.038 3.311 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001303277341 1067805106 /nfs/dbraw/zinc/80/51/06/1067805106.db2.gz PNVLFTBHMQVOPA-UHFFFAOYSA-N 1 1 489.686 3.178 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001303278069 1067805679 /nfs/dbraw/zinc/80/56/79/1067805679.db2.gz YKOYMRVMJXGGIN-MSOLQXFVSA-N 1 1 476.025 3.026 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001303278425 1067806553 /nfs/dbraw/zinc/80/65/53/1067806553.db2.gz DCBTYMBVWUJQCC-WOJBJXKFSA-N 1 1 474.675 3.253 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303278382 1067806683 /nfs/dbraw/zinc/80/66/83/1067806683.db2.gz BQUFUDVKTYQDLP-HNNXBMFYSA-N 1 1 469.417 3.206 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CCC[NH+]2CCOCC2)n1 ZINC001304734079 1067807554 /nfs/dbraw/zinc/80/75/54/1067807554.db2.gz BXMFOYQZQOUCCE-HXUWFJFHSA-N 1 1 455.582 3.199 20 0 JGADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(Cc4ccccc4F)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001304735151 1067809145 /nfs/dbraw/zinc/80/91/45/1067809145.db2.gz RFKRPIBDOJTKSJ-OAQYLSRUSA-N 1 1 454.598 3.398 20 0 JGADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303282042 1067809795 /nfs/dbraw/zinc/80/97/95/1067809795.db2.gz PGKMXCXUNPXLSJ-MJGOQNOKSA-N 1 1 463.623 3.217 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001304737913 1067812273 /nfs/dbraw/zinc/81/22/73/1067812273.db2.gz TUDCEPUSHGAOAR-GHTZIAJQSA-N 1 1 469.609 3.445 20 0 JGADMO CC(C)N(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303286134 1067812459 /nfs/dbraw/zinc/81/24/59/1067812459.db2.gz ABAXXNGWPPYXPT-SJORKVTESA-N 1 1 451.662 3.139 20 0 JGADMO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN2CCOCC2)C1)C(C)C ZINC001303291050 1067814720 /nfs/dbraw/zinc/81/47/20/1067814720.db2.gz JDLCRAITJKMHQB-QFIPXVFZSA-N 1 1 457.667 3.331 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC001304741067 1067816852 /nfs/dbraw/zinc/81/68/52/1067816852.db2.gz PCZHAODVDQSJQR-OAQYLSRUSA-N 1 1 491.562 3.143 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304741281 1067817021 /nfs/dbraw/zinc/81/70/21/1067817021.db2.gz GZYQZYCNRMEUGD-KDURUIRLSA-N 1 1 486.690 3.429 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304742897 1067819889 /nfs/dbraw/zinc/81/98/89/1067819889.db2.gz WUZQMTNTDMCOBO-KDURUIRLSA-N 1 1 472.663 3.040 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CCCn2cc[nH+]c2C)n1 ZINC001304744154 1067822300 /nfs/dbraw/zinc/82/23/00/1067822300.db2.gz VGSYDHMSWMKVFN-UUWRZZSWSA-N 1 1 480.642 3.109 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304745638 1067825031 /nfs/dbraw/zinc/82/50/31/1067825031.db2.gz TUANILLIQOODRG-OYRHEFFESA-N 1 1 475.682 3.279 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCOc2ccccc2)C1 ZINC001303302320 1067826752 /nfs/dbraw/zinc/82/67/52/1067826752.db2.gz HNXXKUNOKMZZQZ-OAQYLSRUSA-N 1 1 454.619 3.150 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCOc2ccccc2)C1 ZINC001303302319 1067826814 /nfs/dbraw/zinc/82/68/14/1067826814.db2.gz HNXXKUNOKMZZQZ-NRFANRHFSA-N 1 1 454.619 3.150 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001303302912 1067827752 /nfs/dbraw/zinc/82/77/52/1067827752.db2.gz CEJIQHCCMUMHGW-QZTJIDSGSA-N 1 1 467.540 3.403 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCC(F)(F)F)C1 ZINC001303303048 1067828295 /nfs/dbraw/zinc/82/82/95/1067828295.db2.gz RNQFSTDRMATARP-INIZCTEOSA-N 1 1 453.513 3.434 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303302957 1067828399 /nfs/dbraw/zinc/82/83/99/1067828399.db2.gz CXBZTXCMDHPXBN-OTWHNJEPSA-N 1 1 486.583 3.145 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001303303549 1067829138 /nfs/dbraw/zinc/82/91/38/1067829138.db2.gz XNCUATWNIMDLKO-IBGZPJMESA-N 1 1 469.634 3.440 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001303303497 1067829359 /nfs/dbraw/zinc/82/93/59/1067829359.db2.gz WOZBOEDVEFHVIW-ZWKOTPCHSA-N 1 1 489.462 3.495 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303303853 1067829952 /nfs/dbraw/zinc/82/99/52/1067829952.db2.gz AHWBFNPPSBSPPV-CEXWTWQISA-N 1 1 458.573 3.323 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)c2ccccc2)CC1 ZINC001303304636 1067831995 /nfs/dbraw/zinc/83/19/95/1067831995.db2.gz ITNCYNLTZSOZLY-NRFANRHFSA-N 1 1 476.629 3.371 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001303304716 1067832077 /nfs/dbraw/zinc/83/20/77/1067832077.db2.gz OPWFYCLUGVBBHF-LSDHHAIUSA-N 1 1 485.580 3.461 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304752777 1067833045 /nfs/dbraw/zinc/83/30/45/1067833045.db2.gz UJKDFSXHDUEDFY-MOPGFXCFSA-N 1 1 483.583 3.418 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(Nc3ccn(C)n3)nnc2C(=O)NCc2ccc(Cl)cc2)C1 ZINC001303305690 1067833446 /nfs/dbraw/zinc/83/34/46/1067833446.db2.gz UMYGHXBHKCVWAT-SFHVURJKSA-N 1 1 471.009 3.459 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304753295 1067834430 /nfs/dbraw/zinc/83/44/30/1067834430.db2.gz ASQCCNRAQNMPST-JOCHJYFZSA-N 1 1 497.623 3.019 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303307915 1067835672 /nfs/dbraw/zinc/83/56/72/1067835672.db2.gz MRNJBRQZYIHKBI-INIZCTEOSA-N 1 1 470.014 3.093 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303307918 1067835840 /nfs/dbraw/zinc/83/58/40/1067835840.db2.gz MRNJBRQZYIHKBI-MRXNPFEDSA-N 1 1 470.014 3.093 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)c4ccoc4C)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304754941 1067837295 /nfs/dbraw/zinc/83/72/95/1067837295.db2.gz SNZJENLLVFHCIB-UHFFFAOYSA-N 1 1 496.660 3.170 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303309915 1067837517 /nfs/dbraw/zinc/83/75/17/1067837517.db2.gz JBCVLNXQSIFNNZ-HXUWFJFHSA-N 1 1 484.649 3.303 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n2CCC(C)(C)O)n1 ZINC001304755437 1067838202 /nfs/dbraw/zinc/83/82/02/1067838202.db2.gz ZOTBYEOYXXWHBR-JOCHJYFZSA-N 1 1 451.619 3.011 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001303310592 1067838689 /nfs/dbraw/zinc/83/86/89/1067838689.db2.gz OQHNUUNOKOTLLE-HNNXBMFYSA-N 1 1 458.554 3.421 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001304755839 1067839432 /nfs/dbraw/zinc/83/94/32/1067839432.db2.gz HBJKZRZDAWHYSM-RPWUZVMVSA-N 1 1 498.720 3.249 20 0 JGADMO CC(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001303310918 1067839575 /nfs/dbraw/zinc/83/95/75/1067839575.db2.gz MUGPMSWHJAHVKY-UHFFFAOYSA-N 1 1 468.650 3.112 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001303311025 1067840089 /nfs/dbraw/zinc/84/00/89/1067840089.db2.gz UFUBKGSOOIOVBG-UHFFFAOYSA-N 1 1 492.550 3.178 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC2([S@](C)=O)CC2)CC1 ZINC001303311801 1067841026 /nfs/dbraw/zinc/84/10/26/1067841026.db2.gz MQRDDLYHHKJWSP-NDEPHWFRSA-N 1 1 466.449 3.149 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3CCC[C@H]3CCCCO3)CC2)C1 ZINC001303317717 1067847024 /nfs/dbraw/zinc/84/70/24/1067847024.db2.gz BNNLGKVMSFFNNR-PKTZIBPZSA-N 1 1 476.710 3.156 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](Cc4ccccc4)CC3)n2CCCCCO)n1 ZINC001304761141 1067847690 /nfs/dbraw/zinc/84/76/90/1067847690.db2.gz WXDCXUBAXATDBH-UHFFFAOYSA-N 1 1 451.619 3.015 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3CCCOc3ccccc3)CC2)C1 ZINC001303318058 1067847999 /nfs/dbraw/zinc/84/79/99/1067847999.db2.gz HZPANIFSTKLZAH-XMMPIXPASA-N 1 1 484.689 3.276 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(Cc4cccnc4)n3CCCC(C)(C)C)CC2)C1 ZINC001303317944 1067848071 /nfs/dbraw/zinc/84/80/71/1067848071.db2.gz FZOMMWQISIOMQZ-DEOSSOPVSA-N 1 1 483.705 3.321 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304761399 1067848487 /nfs/dbraw/zinc/84/84/87/1067848487.db2.gz ZTXINEYXIGSVBC-IBGZPJMESA-N 1 1 471.572 3.418 20 0 JGADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318212 1067848492 /nfs/dbraw/zinc/84/84/92/1067848492.db2.gz KZGZDXIBBWMIFF-IBGZPJMESA-N 1 1 495.594 3.160 20 0 JGADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318223 1067848984 /nfs/dbraw/zinc/84/89/84/1067848984.db2.gz LKYNQZCIMQNVHR-HXUWFJFHSA-N 1 1 495.594 3.160 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC(C)(C)C)n3CCCOC[C@H]3CCOC3)CC2)CC1 ZINC001303318421 1067849570 /nfs/dbraw/zinc/84/95/70/1067849570.db2.gz RJRZPJYXRRYGFN-HSZRJFAPSA-N 1 1 490.737 3.305 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCCC(C)(C)C)CC2)CC1 ZINC001303318548 1067850262 /nfs/dbraw/zinc/85/02/62/1067850262.db2.gz UTBLWALBPYRIHK-OAQYLSRUSA-N 1 1 494.750 3.001 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304762853 1067850459 /nfs/dbraw/zinc/85/04/59/1067850459.db2.gz FFSLTZJQJQXZRR-HSZRJFAPSA-N 1 1 478.689 3.438 20 0 JGADMO CC(C)N1CC[NH+](C2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCC(C)(C)C)CC2)CC1 ZINC001303318731 1067850563 /nfs/dbraw/zinc/85/05/63/1067850563.db2.gz ZQHCYBBZPYOKHD-NRFANRHFSA-N 1 1 459.683 3.050 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C2CCCC2)n1 ZINC001304763333 1067851829 /nfs/dbraw/zinc/85/18/29/1067851829.db2.gz CSETWMZTZKBBEM-FQEVSTJZSA-N 1 1 486.665 3.118 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304763729 1067852090 /nfs/dbraw/zinc/85/20/90/1067852090.db2.gz GQEZCFKZGDAFPQ-VSKRKVRLSA-N 1 1 451.619 3.274 20 0 JGADMO Cc1cc(C)n(Cc2nnc(N3CCOC[C@H]3C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001304765171 1067854673 /nfs/dbraw/zinc/85/46/73/1067854673.db2.gz ZJLQNLDMTJWDBY-RBBKRZOGSA-N 1 1 451.619 3.275 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001303325506 1067854989 /nfs/dbraw/zinc/85/49/89/1067854989.db2.gz VXHBFZIAQBBSRT-PMACEKPBSA-N 1 1 480.613 3.476 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001303325506 1067854994 /nfs/dbraw/zinc/85/49/94/1067854994.db2.gz VXHBFZIAQBBSRT-PMACEKPBSA-N 1 1 480.613 3.476 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H]1CCCO1 ZINC001303327526 1067855635 /nfs/dbraw/zinc/85/56/35/1067855635.db2.gz KAXBZCOHPXLGSL-BAGYTPMASA-N 1 1 454.619 3.085 20 0 JGADMO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(Cc4csc(C)n4)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001304766700 1067856972 /nfs/dbraw/zinc/85/69/72/1067856972.db2.gz GDPXJOULWZTCGA-NRFANRHFSA-N 1 1 485.706 3.489 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001303330665 1067860334 /nfs/dbraw/zinc/86/03/34/1067860334.db2.gz BAENEZGQGGIHCV-AWEZNQCLSA-N 1 1 476.379 3.182 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001303332344 1067862047 /nfs/dbraw/zinc/86/20/47/1067862047.db2.gz YQHCVIPMHHLHQG-UHFFFAOYSA-N 1 1 452.525 3.344 20 0 JGADMO Cc1nnc([C@H]2CN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001304774413 1067867582 /nfs/dbraw/zinc/86/75/82/1067867582.db2.gz KGNQZFPVWPQPLG-OXJNMPFZSA-N 1 1 473.553 3.167 20 0 JGADMO Cc1nnc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001304778052 1067872755 /nfs/dbraw/zinc/87/27/55/1067872755.db2.gz BYPFYGZKCYIALS-UHFFFAOYSA-N 1 1 493.479 3.369 20 0 JGADMO CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303346969 1067874083 /nfs/dbraw/zinc/87/40/83/1067874083.db2.gz DYDFVWWEYQLSLX-UHFFFAOYSA-N 1 1 499.685 3.304 20 0 JGADMO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CC[N@H+]1CCC[C@H]1C ZINC001303347792 1067874835 /nfs/dbraw/zinc/87/48/35/1067874835.db2.gz SJAMKHLKZRPNLE-MOPGFXCFSA-N 1 1 460.648 3.148 20 0 JGADMO Cc1nnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001304781983 1067877225 /nfs/dbraw/zinc/87/72/25/1067877225.db2.gz ADOYWXNZCGMSIV-UHFFFAOYSA-N 1 1 465.425 3.164 20 0 JGADMO Cc1nnc(N(C)C2Cc3ccccc3C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001304787141 1067881395 /nfs/dbraw/zinc/88/13/95/1067881395.db2.gz PKQIDPLOYFUSAD-UHFFFAOYSA-N 1 1 456.635 3.427 20 0 JGADMO Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001304787891 1067881592 /nfs/dbraw/zinc/88/15/92/1067881592.db2.gz JFKWNXIPTRHCPA-STZQEDGTSA-N 1 1 480.579 3.339 20 0 JGADMO Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001304787894 1067881625 /nfs/dbraw/zinc/88/16/25/1067881625.db2.gz JFKWNXIPTRHCPA-VLCRHTCISA-N 1 1 480.579 3.339 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001303354479 1067881942 /nfs/dbraw/zinc/88/19/42/1067881942.db2.gz MIDJLCVDLHHTCX-MTQWCTHYSA-N 1 1 460.667 3.319 20 0 JGADMO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001304800717 1067884728 /nfs/dbraw/zinc/88/47/28/1067884728.db2.gz YZSYPGRCNGVIDB-VQTJNVASSA-N 1 1 454.619 3.412 20 0 JGADMO Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001304800504 1067885062 /nfs/dbraw/zinc/88/50/62/1067885062.db2.gz XLXFLOZUAKHHSR-IBGZPJMESA-N 1 1 474.535 3.466 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303359527 1067887406 /nfs/dbraw/zinc/88/74/06/1067887406.db2.gz YDTSRBFBEDYBTB-ZDUSSCGKSA-N 1 1 470.462 3.222 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCC1CCOCC1 ZINC001303360010 1067887584 /nfs/dbraw/zinc/88/75/84/1067887584.db2.gz JMVSEXBSDJUZPX-OAQYLSRUSA-N 1 1 468.646 3.334 20 0 JGADMO Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304813831 1067889010 /nfs/dbraw/zinc/88/90/10/1067889010.db2.gz PEFOROPGIDVIPQ-KRWDZBQOSA-N 1 1 468.631 3.204 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303362349 1067889312 /nfs/dbraw/zinc/88/93/12/1067889312.db2.gz KRJKCMVHBDPXJG-RBBKRZOGSA-N 1 1 460.667 3.324 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303362355 1067889420 /nfs/dbraw/zinc/88/94/20/1067889420.db2.gz KWIGOXPASZGIMR-CALCHBBNSA-N 1 1 488.599 3.473 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303362355 1067889432 /nfs/dbraw/zinc/88/94/32/1067889432.db2.gz KWIGOXPASZGIMR-CALCHBBNSA-N 1 1 488.599 3.473 20 0 JGADMO COc1ccc(C[C@@](C)(CO)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC001303364431 1067891621 /nfs/dbraw/zinc/89/16/21/1067891621.db2.gz RMGHXLQVYDSVCH-NVQXNPDNSA-N 1 1 452.595 3.416 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccn(Cc2ccccc2)n1 ZINC001303365862 1067893286 /nfs/dbraw/zinc/89/32/86/1067893286.db2.gz GUNVKNVZHXRDMN-UHFFFAOYSA-N 1 1 492.672 3.266 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC1(c2ccccn2)CCC1 ZINC001303366466 1067894724 /nfs/dbraw/zinc/89/47/24/1067894724.db2.gz PDMPFMATZIGPIN-UHFFFAOYSA-N 1 1 467.662 3.490 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCOc1ccccc1 ZINC001303367624 1067896981 /nfs/dbraw/zinc/89/69/81/1067896981.db2.gz YJKVYFATSYMZQC-SZPZYZBQSA-N 1 1 498.672 3.211 20 0 JGADMO Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001304837062 1067898292 /nfs/dbraw/zinc/89/82/92/1067898292.db2.gz FSCDJVSHFGBMLM-DHIUTWEWSA-N 1 1 484.645 3.229 20 0 JGADMO Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001304837062 1067898302 /nfs/dbraw/zinc/89/83/02/1067898302.db2.gz FSCDJVSHFGBMLM-DHIUTWEWSA-N 1 1 484.645 3.229 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CCCC1CCOCC1 ZINC001303369166 1067898416 /nfs/dbraw/zinc/89/84/16/1067898416.db2.gz KPMBUJQSIUMFPN-QHCPKHFHSA-N 1 1 468.646 3.334 20 0 JGADMO Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001304839865 1067899495 /nfs/dbraw/zinc/89/94/95/1067899495.db2.gz KPYADRISIWXTNW-ZEQRLZLVSA-N 1 1 498.672 3.427 20 0 JGADMO Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001304841281 1067899887 /nfs/dbraw/zinc/89/98/87/1067899887.db2.gz FDTRXWHPYGFZKH-UTKZUKDTSA-N 1 1 467.536 3.403 20 0 JGADMO Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001304841281 1067899904 /nfs/dbraw/zinc/89/99/04/1067899904.db2.gz FDTRXWHPYGFZKH-UTKZUKDTSA-N 1 1 467.536 3.403 20 0 JGADMO Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001304848997 1067902589 /nfs/dbraw/zinc/90/25/89/1067902589.db2.gz IVLMYUPZGXEOGO-LJQANCHMSA-N 1 1 460.573 3.195 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303378641 1067908207 /nfs/dbraw/zinc/90/82/07/1067908207.db2.gz INCYVMBNCJPHTQ-CYFREDJKSA-N 1 1 456.660 3.270 20 0 JGADMO Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304860044 1067909639 /nfs/dbraw/zinc/90/96/39/1067909639.db2.gz GCVSXPKPKNIUOK-NZQKXSOJSA-N 1 1 453.635 3.079 20 0 JGADMO Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001304860033 1067910001 /nfs/dbraw/zinc/91/00/01/1067910001.db2.gz KAZYLQNTHPFSMM-REWPJTCUSA-N 1 1 484.645 3.433 20 0 JGADMO Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304860935 1067910045 /nfs/dbraw/zinc/91/00/45/1067910045.db2.gz PEPOGVAZPWLWGI-QFIPXVFZSA-N 1 1 499.704 3.344 20 0 JGADMO Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001304866332 1067911726 /nfs/dbraw/zinc/91/17/26/1067911726.db2.gz LMIMZLYFWXRYSM-NHCUHLMSSA-N 1 1 478.435 3.164 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001303384714 1067912878 /nfs/dbraw/zinc/91/28/78/1067912878.db2.gz BGDHZARJCNXFPY-QFIPXVFZSA-N 1 1 468.646 3.048 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001303386831 1067914179 /nfs/dbraw/zinc/91/41/79/1067914179.db2.gz AKJZAKAUTOMDSP-FHAGJXEFSA-N 1 1 488.702 3.476 20 0 JGADMO Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001304872603 1067914823 /nfs/dbraw/zinc/91/48/23/1067914823.db2.gz RGODMCGSRLFDPZ-MOPGFXCFSA-N 1 1 458.655 3.487 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1Cc1cccc(CO)c1 ZINC001303387827 1067916132 /nfs/dbraw/zinc/91/61/32/1067916132.db2.gz HGMZCKDZEQECBR-REWPJTCUSA-N 1 1 468.646 3.048 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2C(C)C)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001303387788 1067916197 /nfs/dbraw/zinc/91/61/97/1067916197.db2.gz DITJSRJANKRPAG-GOTSBHOMSA-N 1 1 468.646 3.046 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2C(C)C)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001303387792 1067916216 /nfs/dbraw/zinc/91/62/16/1067916216.db2.gz DITJSRJANKRPAG-XZOQPEGZSA-N 1 1 468.646 3.046 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001303396343 1067923368 /nfs/dbraw/zinc/92/33/68/1067923368.db2.gz ALNKFVRQEPVRRR-UHFFFAOYSA-N 1 1 482.551 3.478 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001303396596 1067924104 /nfs/dbraw/zinc/92/41/04/1067924104.db2.gz MFKGZQHCDVPOJK-UHFFFAOYSA-N 1 1 455.651 3.036 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCc1ccccc1OC(F)F ZINC001303396912 1067925343 /nfs/dbraw/zinc/92/53/43/1067925343.db2.gz XRTXKMOWHXBYNV-UHFFFAOYSA-N 1 1 464.561 3.181 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001303397395 1067926087 /nfs/dbraw/zinc/92/60/87/1067926087.db2.gz HZIOIWNKGKJFRD-IUTQVRIDSA-N 1 1 468.646 3.332 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001303397485 1067926417 /nfs/dbraw/zinc/92/64/17/1067926417.db2.gz KKYDHUAYRXDBKI-XPNTWCBSSA-N 1 1 498.672 3.272 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC[C@H]1CCCCO1 ZINC001303399338 1067927521 /nfs/dbraw/zinc/92/75/21/1067927521.db2.gz ZZUDEBSBHHQAGG-JOCHJYFZSA-N 1 1 454.619 3.088 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@]1(C)CCCS1 ZINC001303398964 1067927622 /nfs/dbraw/zinc/92/76/22/1067927622.db2.gz UVYQHEDLUPYYDF-DEOSSOPVSA-N 1 1 456.660 3.414 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303407181 1067934161 /nfs/dbraw/zinc/93/41/61/1067934161.db2.gz AZVMHMJDUSPRAK-JOCHJYFZSA-N 1 1 481.689 3.392 20 0 JGADMO Cc1noc(C2(C)CCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001304890178 1067934422 /nfs/dbraw/zinc/93/44/22/1067934422.db2.gz XSCOOIDDKTXAGL-FQEVSTJZSA-N 1 1 459.639 3.083 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001303413851 1067939759 /nfs/dbraw/zinc/93/97/59/1067939759.db2.gz FILJEAZRLQOPJX-HFZDXXHNSA-N 1 1 468.646 3.433 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CC[N@@H+](C)C(C)C ZINC001303415173 1067942720 /nfs/dbraw/zinc/94/27/20/1067942720.db2.gz UDURBEIDLMRWPY-IBGZPJMESA-N 1 1 482.551 3.353 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CC[N@@H+](C)C(C)C ZINC001303415174 1067942736 /nfs/dbraw/zinc/94/27/36/1067942736.db2.gz UDURBEIDLMRWPY-LJQANCHMSA-N 1 1 482.551 3.353 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303415370 1067943073 /nfs/dbraw/zinc/94/30/73/1067943073.db2.gz WDUPIGBRHQCVHX-OAQYLSRUSA-N 1 1 472.609 3.255 20 0 JGADMO Cc1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](CCOC(C)C)CC2)on1 ZINC001304900473 1067944023 /nfs/dbraw/zinc/94/40/23/1067944023.db2.gz CTANJMNRSMFWME-UHFFFAOYSA-N 1 1 474.993 3.402 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001303416657 1067944082 /nfs/dbraw/zinc/94/40/82/1067944082.db2.gz VCWPLAAVOCVRKA-FQEVSTJZSA-N 1 1 475.037 3.380 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001303417004 1067944865 /nfs/dbraw/zinc/94/48/65/1067944865.db2.gz RIOISACQDJVJHJ-SJLPKXTDSA-N 1 1 489.690 3.231 20 0 JGADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304902373 1067946394 /nfs/dbraw/zinc/94/63/94/1067946394.db2.gz AEEVGPXPCCNISV-LPHOPBHVSA-N 1 1 476.572 3.334 20 0 JGADMO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1CCC[N@@H+](C)C(C)C ZINC001303420709 1067946524 /nfs/dbraw/zinc/94/65/24/1067946524.db2.gz FETYZPDLLSSGGC-WIYYLYMNSA-N 1 1 460.598 3.252 20 0 JGADMO CC(C)NC(=O)c1nnc(Nc2ccn(C)n2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001303421823 1067947587 /nfs/dbraw/zinc/94/75/87/1067947587.db2.gz YHJSBCBXZNOXKM-UYAOXDASSA-N 1 1 450.591 3.194 20 0 JGADMO CC(C)NC(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303422960 1067948250 /nfs/dbraw/zinc/94/82/50/1067948250.db2.gz IAJXKWGLBBODPL-OALUTQOASA-N 1 1 458.582 3.146 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001304910967 1067954185 /nfs/dbraw/zinc/95/41/85/1067954185.db2.gz JSXCGKYZQGYICY-SOLBZPMBSA-N 1 1 467.540 3.259 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001304912342 1067956118 /nfs/dbraw/zinc/95/61/18/1067956118.db2.gz NNCKAKYRZZHLFU-ZRBLBEILSA-N 1 1 487.737 3.148 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304912493 1067956472 /nfs/dbraw/zinc/95/64/72/1067956472.db2.gz QAGIMMWLJRCUOJ-FGYAAKKASA-N 1 1 469.634 3.296 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001304912635 1067956857 /nfs/dbraw/zinc/95/68/57/1067956857.db2.gz REQVJKUDIVHJTE-ANSQWYIGSA-N 1 1 486.636 3.454 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)C1 ZINC001304913070 1067957168 /nfs/dbraw/zinc/95/71/68/1067957168.db2.gz SRZXSTQJMMALPR-HSALFYBXSA-N 1 1 451.681 3.317 20 0 JGADMO C[C@@H]1C[C@@H](C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001304913876 1067958382 /nfs/dbraw/zinc/95/83/82/1067958382.db2.gz VULYJWIBISRHMW-RTBURBONSA-N 1 1 475.037 3.066 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2Cl)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001303436881 1067961030 /nfs/dbraw/zinc/96/10/30/1067961030.db2.gz PRCBMFTZWNQJME-SFHVURJKSA-N 1 1 463.026 3.060 20 0 JGADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001304920800 1067962267 /nfs/dbraw/zinc/96/22/67/1067962267.db2.gz UIWZKGXVCFODOC-HSALFYBXSA-N 1 1 476.691 3.259 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001303441071 1067963103 /nfs/dbraw/zinc/96/31/03/1067963103.db2.gz OCLJIPUJNFPXMN-GOSISDBHSA-N 1 1 460.573 3.125 20 0 JGADMO CC(C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923056 1067964311 /nfs/dbraw/zinc/96/43/11/1067964311.db2.gz DISGMMSPVPUKMJ-SZPZYZBQSA-N 1 1 474.694 3.235 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001304923271 1067964826 /nfs/dbraw/zinc/96/48/26/1067964826.db2.gz AXGLHIMENLMGTO-KSZLIROESA-N 1 1 477.057 3.011 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303443068 1067965034 /nfs/dbraw/zinc/96/50/34/1067965034.db2.gz FWSOBJVNDCKRQW-BGYRXZFFSA-N 1 1 495.672 3.199 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304923605 1067965503 /nfs/dbraw/zinc/96/55/03/1067965503.db2.gz CZYZHIPDPJFIFK-KDURUIRLSA-N 1 1 472.659 3.275 20 0 JGADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303443619 1067965703 /nfs/dbraw/zinc/96/57/03/1067965703.db2.gz AZHLTSFRWWBYPB-TZIWHRDSSA-N 1 1 462.683 3.280 20 0 JGADMO CC(C)NC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001303443932 1067966032 /nfs/dbraw/zinc/96/60/32/1067966032.db2.gz HXEHKEIRKMHSSK-SFHVURJKSA-N 1 1 486.617 3.466 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001304924015 1067966354 /nfs/dbraw/zinc/96/63/54/1067966354.db2.gz GZRJAXCGUMLBSG-IIZPIQPGSA-N 1 1 498.676 3.453 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924311 1067966954 /nfs/dbraw/zinc/96/69/54/1067966954.db2.gz IJGOZKHAPXYLDQ-MLBCHFTJSA-N 1 1 480.723 3.273 20 0 JGADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304925111 1067968066 /nfs/dbraw/zinc/96/80/66/1067968066.db2.gz KYGPFFIJVQYXFR-FUPPJEDESA-N 1 1 484.693 3.178 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC2CC2)C1 ZINC001304925267 1067968691 /nfs/dbraw/zinc/96/86/91/1067968691.db2.gz LTHWUKZYXXHYNF-SVFBPWRDSA-N 1 1 451.681 3.175 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCCO3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001304925438 1067969148 /nfs/dbraw/zinc/96/91/48/1067969148.db2.gz DCGVWSSVFPLDSX-XPWALMASSA-N 1 1 476.710 3.292 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001304925954 1067969951 /nfs/dbraw/zinc/96/99/51/1067969951.db2.gz POOHOQVWDXTYDD-FGTMMUONSA-N 1 1 460.026 3.028 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CCc3ccccc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304926674 1067971165 /nfs/dbraw/zinc/97/11/65/1067971165.db2.gz GTSBHBQRKYWBPN-XJUOHMSHSA-N 1 1 473.687 3.055 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001304927000 1067971920 /nfs/dbraw/zinc/97/19/20/1067971920.db2.gz HPLPAJZJTPFPMZ-KDURUIRLSA-N 1 1 456.610 3.078 20 0 JGADMO C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927082 1067972292 /nfs/dbraw/zinc/97/22/92/1067972292.db2.gz INOQGNHSYFNFKG-ZGXWSNOMSA-N 1 1 463.648 3.339 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cn3cccn3)C2)C1 ZINC001304927039 1067972343 /nfs/dbraw/zinc/97/23/43/1067972343.db2.gz HZVPGYJPWPORQX-BDTNDASRSA-N 1 1 457.667 3.337 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304927390 1067973355 /nfs/dbraw/zinc/97/33/55/1067973355.db2.gz UVOVRAZCWGRHSL-ZRCGQRJVSA-N 1 1 468.646 3.275 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927884 1067974842 /nfs/dbraw/zinc/97/48/42/1067974842.db2.gz YPOPQAGVLVWYPA-KSZLIROESA-N 1 1 483.082 3.231 20 0 JGADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Nc3ccn(C)n3)nnc2-c2cccc(S(C)(=O)=O)c2)C1 ZINC001304928376 1067976186 /nfs/dbraw/zinc/97/61/86/1067976186.db2.gz NLMAEZZTUQHVPG-HDICACEKSA-N 1 1 471.631 3.194 20 0 JGADMO CC(C)NC(=O)Nc1ccc(Cn2c(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001303459613 1067978878 /nfs/dbraw/zinc/97/88/78/1067978878.db2.gz HXTSDBOFJGYLNV-DENIHFKCSA-N 1 1 483.661 3.311 20 0 JGADMO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 ZINC001303464854 1067983835 /nfs/dbraw/zinc/98/38/35/1067983835.db2.gz AFDIDOUQPRYOSL-UHFFFAOYSA-N 1 1 458.626 3.087 20 0 JGADMO C[C@@H]1C[C@@H](CCn2c(-c3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCO1 ZINC001304938144 1067987087 /nfs/dbraw/zinc/98/70/87/1067987087.db2.gz LYADQMRZFORPFK-RTWAWAEBSA-N 1 1 456.635 3.340 20 0 JGADMO C[C@@H]1C[C@H](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001304938989 1067988142 /nfs/dbraw/zinc/98/81/42/1067988142.db2.gz PMBIZSPXQJBPLQ-HOJAQTOUSA-N 1 1 499.603 3.479 20 0 JGADMO CC(C)NS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001303468979 1067988591 /nfs/dbraw/zinc/98/85/91/1067988591.db2.gz AFNHOHNJRVDYPO-YADHBBJMSA-N 1 1 488.702 3.364 20 0 JGADMO CC(C)NS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001303468977 1067988750 /nfs/dbraw/zinc/98/87/50/1067988750.db2.gz AFNHOHNJRVDYPO-FGZHOGPDSA-N 1 1 488.702 3.364 20 0 JGADMO C[C@@H]1C[C@H](CCn2c(-c3ccc[nH]3)nnc2N(C)CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC001304943177 1067994528 /nfs/dbraw/zinc/99/45/28/1067994528.db2.gz ZHXGXSSBEZQPCJ-CTNGQTDRSA-N 1 1 470.643 3.055 20 0 JGADMO C[C@@H]1C[C@@H](N(C)c2nnc(-c3ccccn3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304946729 1067998695 /nfs/dbraw/zinc/99/86/95/1067998695.db2.gz DEGZXSHIJGKGTM-IRLDBZIGSA-N 1 1 461.614 3.308 20 0 JGADMO C[C@H]1C[C@@H](N(C)c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304948836 1067999767 /nfs/dbraw/zinc/99/97/67/1067999767.db2.gz KLELOLNOJCDHPP-UNMCSNQZSA-N 1 1 463.630 3.251 20 0 JGADMO C[C@H]1C[C@H](N(C)c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001304953210 1068001159 /nfs/dbraw/zinc/00/11/59/1068001159.db2.gz RDDXUVMWXGIQQG-NZQKXSOJSA-N 1 1 488.702 3.316 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCC[N@@H+](C)C1CCCCC1 ZINC001304957302 1068003144 /nfs/dbraw/zinc/00/31/44/1068003144.db2.gz DKZKBSDJTMBKHI-QRVBRYPASA-N 1 1 454.685 3.168 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001303481920 1068003327 /nfs/dbraw/zinc/00/33/27/1068003327.db2.gz OXHHKGKNZRSQGH-UZUQRXQVSA-N 1 1 463.026 3.486 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001303481916 1068003462 /nfs/dbraw/zinc/00/34/62/1068003462.db2.gz OXHHKGKNZRSQGH-HXOBKFHXSA-N 1 1 463.026 3.486 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001303482821 1068005906 /nfs/dbraw/zinc/00/59/06/1068005906.db2.gz ABLQTSSACNRJJC-NFBKMPQASA-N 1 1 485.620 3.157 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303482945 1068005940 /nfs/dbraw/zinc/00/59/40/1068005940.db2.gz CKOUQNIEZOGBOU-IMIIHFCZSA-N 1 1 493.693 3.212 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303482945 1068005953 /nfs/dbraw/zinc/00/59/53/1068005953.db2.gz CKOUQNIEZOGBOU-IMIIHFCZSA-N 1 1 493.693 3.212 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCOC1 ZINC001303484286 1068007041 /nfs/dbraw/zinc/00/70/41/1068007041.db2.gz OPVYMDDGTHYZPL-OYSWMMLKSA-N 1 1 493.693 3.069 20 0 JGADMO C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1 ZINC001303485190 1068007891 /nfs/dbraw/zinc/00/78/91/1068007891.db2.gz BTGZUARPUQIQKG-XMSQKQJNSA-N 1 1 455.986 3.050 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2CC(C)(C)C2)CCOC1 ZINC001303486690 1068008640 /nfs/dbraw/zinc/00/86/40/1068008640.db2.gz AYEQECXRTDXZCF-DFIYOIEZSA-N 1 1 463.667 3.300 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2CC(C)(C)C2)CCOC1 ZINC001303486690 1068008657 /nfs/dbraw/zinc/00/86/57/1068008657.db2.gz AYEQECXRTDXZCF-DFIYOIEZSA-N 1 1 463.667 3.300 20 0 JGADMO Cc1cc(O[C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)ccc1C(C)C ZINC001303486377 1068008921 /nfs/dbraw/zinc/00/89/21/1068008921.db2.gz MLVYICPMBJPNIG-BWKNWUBXSA-N 1 1 451.611 3.387 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCSC2)CCOC1 ZINC001303487419 1068009790 /nfs/dbraw/zinc/00/97/90/1068009790.db2.gz LIJPOCYDWUWUFQ-OOICKAIWSA-N 1 1 481.707 3.007 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCSC2)CCOC1 ZINC001303487419 1068009804 /nfs/dbraw/zinc/00/98/04/1068009804.db2.gz LIJPOCYDWUWUFQ-OOICKAIWSA-N 1 1 481.707 3.007 20 0 JGADMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303487086 1068009932 /nfs/dbraw/zinc/00/99/32/1068009932.db2.gz WKLBIVVBJYGXAC-YKSBVNFPSA-N 1 1 451.611 3.253 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001303487420 1068010226 /nfs/dbraw/zinc/01/02/26/1068010226.db2.gz LIJPOCYDWUWUFQ-SEDAZVQISA-N 1 1 481.707 3.007 20 0 JGADMO CC(C)O[C@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001303487420 1068010236 /nfs/dbraw/zinc/01/02/36/1068010236.db2.gz LIJPOCYDWUWUFQ-SEDAZVQISA-N 1 1 481.707 3.007 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2nccs2)CCOC1 ZINC001303487600 1068010349 /nfs/dbraw/zinc/01/03/49/1068010349.db2.gz ONDZSNIKUBPJQY-KTIHBUSBSA-N 1 1 492.690 3.124 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2nccs2)CCOC1 ZINC001303487600 1068010361 /nfs/dbraw/zinc/01/03/61/1068010361.db2.gz ONDZSNIKUBPJQY-KTIHBUSBSA-N 1 1 492.690 3.124 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCSC2)CCOC1 ZINC001303487421 1068010450 /nfs/dbraw/zinc/01/04/50/1068010450.db2.gz LIJPOCYDWUWUFQ-WHLIWEHUSA-N 1 1 481.707 3.007 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCSC2)CCOC1 ZINC001303487421 1068010464 /nfs/dbraw/zinc/01/04/64/1068010464.db2.gz LIJPOCYDWUWUFQ-WHLIWEHUSA-N 1 1 481.707 3.007 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001303487422 1068010586 /nfs/dbraw/zinc/01/05/86/1068010586.db2.gz LIJPOCYDWUWUFQ-XARGGIHNSA-N 1 1 481.707 3.007 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001303487422 1068010601 /nfs/dbraw/zinc/01/06/01/1068010601.db2.gz LIJPOCYDWUWUFQ-XARGGIHNSA-N 1 1 481.707 3.007 20 0 JGADMO C[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001304970879 1068011052 /nfs/dbraw/zinc/01/10/52/1068011052.db2.gz JPYNCQVZBAIFLR-MXEMCNAFSA-N 1 1 451.681 3.460 20 0 JGADMO C[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001304970876 1068011083 /nfs/dbraw/zinc/01/10/83/1068011083.db2.gz JPYNCQVZBAIFLR-IVAOSVALSA-N 1 1 451.681 3.460 20 0 JGADMO C[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001304970870 1068011183 /nfs/dbraw/zinc/01/11/83/1068011183.db2.gz JPYNCQVZBAIFLR-ANULTFPQSA-N 1 1 451.681 3.460 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001304974625 1068014407 /nfs/dbraw/zinc/01/44/07/1068014407.db2.gz KIGQXEROHQBRAZ-OMYXNUHHSA-N 1 1 451.681 3.316 20 0 JGADMO C[C@H](Cn1c(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001304976387 1068015680 /nfs/dbraw/zinc/01/56/80/1068015680.db2.gz MRDZMITVEQOGBD-NJYVYQBISA-N 1 1 491.725 3.484 20 0 JGADMO COc1ccc2cc(/C=C/C(=O)N[C@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)ccc2c1 ZINC001303492147 1068016894 /nfs/dbraw/zinc/01/68/94/1068016894.db2.gz LNBULWKXLMRUOC-ASTURHQUSA-N 1 1 457.574 3.363 20 0 JGADMO Cc1cc(Br)cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c1C ZINC001303492162 1068017577 /nfs/dbraw/zinc/01/75/77/1068017577.db2.gz LTYMNJKMEFSFGA-OAQYLSRUSA-N 1 1 458.400 3.181 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC(C)(C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303493292 1068018903 /nfs/dbraw/zinc/01/89/03/1068018903.db2.gz GWXVBMWQQHTPPG-OFVILXPXSA-N 1 1 463.667 3.446 20 0 JGADMO COc1ccc2sc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)c(C)c2c1 ZINC001303494031 1068019643 /nfs/dbraw/zinc/01/96/43/1068019643.db2.gz VSXXFHGKPYFMSO-NRFANRHFSA-N 1 1 451.592 3.333 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(CO)CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001303494261 1068019779 /nfs/dbraw/zinc/01/97/79/1068019779.db2.gz KBXDKOAXBYBFHV-WIOPSUGQSA-N 1 1 492.064 3.484 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[C@@H]2CCOC2)CCOC1 ZINC001303494284 1068020009 /nfs/dbraw/zinc/02/00/09/1068020009.db2.gz KHHXOHDYSHRYTI-RCZVLFRGSA-N 1 1 463.667 3.302 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001304980851 1068020111 /nfs/dbraw/zinc/02/01/11/1068020111.db2.gz KWEUCAWHBDGGCD-IKGGRYGDSA-N 1 1 479.716 3.483 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981969 1068023007 /nfs/dbraw/zinc/02/30/07/1068023007.db2.gz CJTDEQIXKMWOTQ-LXFBAYGMSA-N 1 1 495.716 3.292 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC[C@@]4(CCSC4)C3)n2CCC[N@@H+](C)C(C)C)CCOC1 ZINC001303497470 1068025189 /nfs/dbraw/zinc/02/51/89/1068025189.db2.gz VCCKCRAOJDOTIO-PKTZIBPZSA-N 1 1 451.681 3.382 20 0 JGADMO CC(C)O[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001303501135 1068028500 /nfs/dbraw/zinc/02/85/00/1068028500.db2.gz FARGBSABQFIQOX-RUZDIDTESA-N 1 1 462.683 3.114 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCOC1 ZINC001303502266 1068031679 /nfs/dbraw/zinc/03/16/79/1068031679.db2.gz MDZVWGTYBJVEMF-NVQXNPDNSA-N 1 1 476.710 3.217 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2nccn2C(F)F)CCOC1 ZINC001303502146 1068031811 /nfs/dbraw/zinc/03/18/11/1068031811.db2.gz RJENOKXVLPQTTC-QHCPKHFHSA-N 1 1 481.592 3.269 20 0 JGADMO C[C@@H]1CCC[C@@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001304993338 1068034961 /nfs/dbraw/zinc/03/49/61/1068034961.db2.gz AQBALFKKTATZJY-FQRUVTKNSA-N 1 1 473.637 3.354 20 0 JGADMO C[C@H]1CCC[C@]1(O)Cn1c(Cc2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304995655 1068038261 /nfs/dbraw/zinc/03/82/61/1068038261.db2.gz OJVLMHAMRWHQTP-KSYXXAMZSA-N 1 1 459.610 3.105 20 0 JGADMO C[C@H]1CCC[C@]1(O)Cn1c(Cc2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304995655 1068038272 /nfs/dbraw/zinc/03/82/72/1068038272.db2.gz OJVLMHAMRWHQTP-KSYXXAMZSA-N 1 1 459.610 3.105 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303505468 1068039079 /nfs/dbraw/zinc/03/90/79/1068039079.db2.gz KUKKVCFUJKZZTH-KCWPFWIISA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303505468 1068039094 /nfs/dbraw/zinc/03/90/94/1068039094.db2.gz KUKKVCFUJKZZTH-KCWPFWIISA-N 1 1 484.689 3.370 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CCSC(C)(C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303509142 1068042754 /nfs/dbraw/zinc/04/27/54/1068042754.db2.gz BSPIWMPBDCQRLK-YKSBVNFPSA-N 1 1 481.707 3.151 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCOC1 ZINC001303511086 1068046519 /nfs/dbraw/zinc/04/65/19/1068046519.db2.gz RPAMVGCRPGUCBP-AQHVHYGPSA-N 1 1 492.064 3.482 20 0 JGADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCO[C@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001305004287 1068046541 /nfs/dbraw/zinc/04/65/41/1068046541.db2.gz LWHXBBOEACQGDY-SVPADUAOSA-N 1 1 470.662 3.405 20 0 JGADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCO[C@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001305004287 1068046555 /nfs/dbraw/zinc/04/65/55/1068046555.db2.gz LWHXBBOEACQGDY-SVPADUAOSA-N 1 1 470.662 3.405 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001305012056 1068052600 /nfs/dbraw/zinc/05/26/00/1068052600.db2.gz IEAYFLLTLWAJIC-YRXWBPOGSA-N 1 1 498.694 3.189 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001305012056 1068052611 /nfs/dbraw/zinc/05/26/11/1068052611.db2.gz IEAYFLLTLWAJIC-YRXWBPOGSA-N 1 1 498.694 3.189 20 0 JGADMO CC(C)Oc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC001303523429 1068053386 /nfs/dbraw/zinc/05/33/86/1068053386.db2.gz VZVKERRREQURRS-NRFANRHFSA-N 1 1 469.634 3.016 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cccn2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305013384 1068053991 /nfs/dbraw/zinc/05/39/91/1068053991.db2.gz HKTBPURTUOYGGF-SFTDATJTSA-N 1 1 476.691 3.342 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N(C)C)CC1 ZINC001305013725 1068054687 /nfs/dbraw/zinc/05/46/87/1068054687.db2.gz LXDAHGUROFHKDB-RBBKRZOGSA-N 1 1 460.667 3.131 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001305013964 1068055247 /nfs/dbraw/zinc/05/52/47/1068055247.db2.gz OKBHLGMGDQHNET-WOJBJXKFSA-N 1 1 486.665 3.294 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001305013961 1068055305 /nfs/dbraw/zinc/05/53/05/1068055305.db2.gz OKBHLGMGDQHNET-PMACEKPBSA-N 1 1 486.665 3.294 20 0 JGADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)C1 ZINC001305014334 1068055848 /nfs/dbraw/zinc/05/58/48/1068055848.db2.gz RLVFSYDRNIJXBF-ICSRJNTNSA-N 1 1 465.689 3.066 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305015008 1068056573 /nfs/dbraw/zinc/05/65/73/1068056573.db2.gz JDXVVPVHPQGRRK-DENIHFKCSA-N 1 1 477.650 3.286 20 0 JGADMO C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305014973 1068056696 /nfs/dbraw/zinc/05/66/96/1068056696.db2.gz IUAULBZCHRVGIW-SVFBPWRDSA-N 1 1 475.659 3.348 20 0 JGADMO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305014972 1068056994 /nfs/dbraw/zinc/05/69/94/1068056994.db2.gz IUAULBZCHRVGIW-SFHLNBCPSA-N 1 1 475.659 3.348 20 0 JGADMO CC(C)OC1CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001303529762 1068057672 /nfs/dbraw/zinc/05/76/72/1068057672.db2.gz AETPMNRDTAFBKM-JOCHJYFZSA-N 1 1 488.702 3.267 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305015508 1068057982 /nfs/dbraw/zinc/05/79/82/1068057982.db2.gz JUTIEVKBJAKRGW-ROUUACIJSA-N 1 1 466.051 3.486 20 0 JGADMO C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001305015734 1068058517 /nfs/dbraw/zinc/05/85/17/1068058517.db2.gz YNWBJPWIRPZZSW-NJDAHSKKSA-N 1 1 476.691 3.425 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001305015752 1068058760 /nfs/dbraw/zinc/05/87/60/1068058760.db2.gz DYOZMTCAIUEUDV-UXHICEINSA-N 1 1 455.607 3.195 20 0 JGADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NC(C)(C)C)C1 ZINC001305016185 1068059388 /nfs/dbraw/zinc/05/93/88/1068059388.db2.gz ZKCLZKJNOAVJHQ-NJYVYQBISA-N 1 1 460.667 3.178 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCO1 ZINC001303530998 1068060327 /nfs/dbraw/zinc/06/03/27/1068060327.db2.gz JETIPDWITKKCSD-ZEQRLZLVSA-N 1 1 485.673 3.211 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001305017251 1068060960 /nfs/dbraw/zinc/06/09/60/1068060960.db2.gz CORFMQGEEKSYPI-GGAORHGYSA-N 1 1 494.750 3.383 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC001305017846 1068061801 /nfs/dbraw/zinc/06/18/01/1068061801.db2.gz GMONPDNQNKKJIU-ICSRJNTNSA-N 1 1 459.683 3.418 20 0 JGADMO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001303532312 1068062110 /nfs/dbraw/zinc/06/21/10/1068062110.db2.gz YSKMKNITVXAGEI-NRFANRHFSA-N 1 1 478.037 3.340 20 0 JGADMO C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305018190 1068062171 /nfs/dbraw/zinc/06/21/71/1068062171.db2.gz SYNHWGJSKCMZBL-UXHICEINSA-N 1 1 484.649 3.445 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305018548 1068063770 /nfs/dbraw/zinc/06/37/70/1068063770.db2.gz HVDNYBCICCYCSN-MOPGFXCFSA-N 1 1 475.037 3.477 20 0 JGADMO C[C@@H]1CCCC[N@H+]1CCCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001305018543 1068063797 /nfs/dbraw/zinc/06/37/97/1068063797.db2.gz HURVYTBAEOIZQY-LJQANCHMSA-N 1 1 483.661 3.382 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001305018542 1068063855 /nfs/dbraw/zinc/06/38/55/1068063855.db2.gz OCBHBEHCROJZCT-NCXUSEDFSA-N 1 1 491.624 3.469 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001305019255 1068064808 /nfs/dbraw/zinc/06/48/08/1068064808.db2.gz LGNQKPBZCSMKJC-NRFANRHFSA-N 1 1 481.689 3.469 20 0 JGADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001305019256 1068064988 /nfs/dbraw/zinc/06/49/88/1068064988.db2.gz LGNQKPBZCSMKJC-OAQYLSRUSA-N 1 1 481.689 3.469 20 0 JGADMO C[C@H]1CCCC[N@@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001305019711 1068066146 /nfs/dbraw/zinc/06/61/46/1068066146.db2.gz RGOQQKXWOZJZBI-VXKWHMMOSA-N 1 1 494.750 3.145 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001305019711 1068066161 /nfs/dbraw/zinc/06/61/61/1068066161.db2.gz RGOQQKXWOZJZBI-VXKWHMMOSA-N 1 1 494.750 3.145 20 0 JGADMO CC(C)OCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001303537567 1068066390 /nfs/dbraw/zinc/06/63/90/1068066390.db2.gz BHMXANHPWYDLIB-LJQANCHMSA-N 1 1 463.026 3.357 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(Nc2cnn(CC3CCC3)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305019883 1068067030 /nfs/dbraw/zinc/06/70/30/1068067030.db2.gz NZDMLEQPEOBRSB-MSOLQXFVSA-N 1 1 492.694 3.139 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)CCCc2ccccn2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305020170 1068067309 /nfs/dbraw/zinc/06/73/09/1068067309.db2.gz ATJNDNQQWWVLDF-FQEVSTJZSA-N 1 1 455.651 3.391 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001305020660 1068069021 /nfs/dbraw/zinc/06/90/21/1068069021.db2.gz SCNJGGMDYFFIFZ-UNMCSNQZSA-N 1 1 452.647 3.276 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305020788 1068069545 /nfs/dbraw/zinc/06/95/45/1068069545.db2.gz VKAQOIFRUVDUDQ-PZJWPPBQSA-N 1 1 456.610 3.364 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305021640 1068070796 /nfs/dbraw/zinc/07/07/96/1068070796.db2.gz YTTLJKANWQKAAP-OALUTQOASA-N 1 1 474.600 3.469 20 0 JGADMO C[C@H]1CCCC[N@H+]1CCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(C)(=O)=O)c1 ZINC001305021545 1068070974 /nfs/dbraw/zinc/07/09/74/1068070974.db2.gz TUAPRTGQPQQKRS-KRWDZBQOSA-N 1 1 457.604 3.090 20 0 JGADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001305021794 1068071945 /nfs/dbraw/zinc/07/19/45/1068071945.db2.gz XMJKGNSDTRJMAD-FPOVZHCZSA-N 1 1 490.693 3.471 20 0 JGADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305022303 1068072892 /nfs/dbraw/zinc/07/28/92/1068072892.db2.gz AUSVKUHRFCVCCZ-GUDVDZBRSA-N 1 1 455.607 3.050 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305022465 1068073573 /nfs/dbraw/zinc/07/35/73/1068073573.db2.gz LDTNRCPHOXEYIQ-DHIUTWEWSA-N 1 1 487.737 3.435 20 0 JGADMO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305023384 1068075956 /nfs/dbraw/zinc/07/59/56/1068075956.db2.gz HDVSYOJWHZRHAX-OAGGEKHMSA-N 1 1 493.425 3.279 20 0 JGADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023381 1068076128 /nfs/dbraw/zinc/07/61/28/1068076128.db2.gz GYRWVDSIDOMOOO-XPWALMASSA-N 1 1 473.710 3.045 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023419 1068076335 /nfs/dbraw/zinc/07/63/35/1068076335.db2.gz HMCJUPQTZCKABN-FYQPLNBISA-N 1 1 472.609 3.379 20 0 JGADMO CC(C)OCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303551875 1068077659 /nfs/dbraw/zinc/07/76/59/1068077659.db2.gz YWWOGCLGDOKRAT-MZKRTTBSSA-N 1 1 473.618 3.151 20 0 JGADMO CC(C)OCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303551875 1068077673 /nfs/dbraw/zinc/07/76/73/1068077673.db2.gz YWWOGCLGDOKRAT-MZKRTTBSSA-N 1 1 473.618 3.151 20 0 JGADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025505 1068080949 /nfs/dbraw/zinc/08/09/49/1068080949.db2.gz RURBNVWIPGUELC-AABGKKOBSA-N 1 1 484.670 3.483 20 0 JGADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CC(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025721 1068081401 /nfs/dbraw/zinc/08/14/01/1068081401.db2.gz TXNLPDUWBMSJGY-KZNAEPCWSA-N 1 1 460.026 3.206 20 0 JGADMO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305025770 1068081592 /nfs/dbraw/zinc/08/15/92/1068081592.db2.gz UOKKBLHZJJXAMO-SJORKVTESA-N 1 1 452.525 3.354 20 0 JGADMO CC(C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026371 1068082034 /nfs/dbraw/zinc/08/20/34/1068082034.db2.gz WPDSAWCKUHETDH-AABGKKOBSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305026374 1068082121 /nfs/dbraw/zinc/08/21/21/1068082121.db2.gz WPDSAWCKUHETDH-VAMGGRTRSA-N 1 1 464.655 3.252 20 0 JGADMO CC(C)OCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001303556267 1068082105 /nfs/dbraw/zinc/08/21/05/1068082105.db2.gz KCDTULPALLYBSC-XQBPLPMBSA-N 1 1 461.582 3.139 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305027007 1068083809 /nfs/dbraw/zinc/08/38/09/1068083809.db2.gz YYORBEARICPQRP-MSOLQXFVSA-N 1 1 459.664 3.377 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001305027184 1068083933 /nfs/dbraw/zinc/08/39/33/1068083933.db2.gz TVOBGPVKMZFQOR-ZIFCJYIRSA-N 1 1 481.613 3.215 20 0 JGADMO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028406 1068084973 /nfs/dbraw/zinc/08/49/73/1068084973.db2.gz FZFQJRNGGSMFNL-RTWAWAEBSA-N 1 1 452.647 3.276 20 0 JGADMO C[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001305028718 1068086580 /nfs/dbraw/zinc/08/65/80/1068086580.db2.gz JCJKKEAEEFGXOT-LEWJYISDSA-N 1 1 486.686 3.272 20 0 JGADMO C[C@H](Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001305028824 1068087398 /nfs/dbraw/zinc/08/73/98/1068087398.db2.gz KVFFLCCYKTUIRH-FCHUYYIVSA-N 1 1 487.737 3.267 20 0 JGADMO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305029819 1068087731 /nfs/dbraw/zinc/08/77/31/1068087731.db2.gz RMNYDAHWXGCCSR-KURKYZTESA-N 1 1 462.689 3.332 20 0 JGADMO C[C@H](Cn1c(CCc2ccccc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001305029926 1068088069 /nfs/dbraw/zinc/08/80/69/1068088069.db2.gz TWSJMFSMDFYDRD-GXRSIYKFSA-N 1 1 475.703 3.442 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Cl)s2)CC1 ZINC001303566485 1068088478 /nfs/dbraw/zinc/08/84/78/1068088478.db2.gz DNNJCBIKLUQDOI-UHFFFAOYSA-N 1 1 481.066 3.019 20 0 JGADMO CC(C)OCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001303566403 1068088525 /nfs/dbraw/zinc/08/85/25/1068088525.db2.gz AOXOOOWAHBMOKB-PMACEKPBSA-N 1 1 462.639 3.450 20 0 JGADMO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C)CC1)C[NH+]1CCOCC1 ZINC001305032713 1068089859 /nfs/dbraw/zinc/08/98/59/1068089859.db2.gz GVJSPEQJBLOPOS-WOJBJXKFSA-N 1 1 489.064 3.456 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001303567397 1068090736 /nfs/dbraw/zinc/09/07/36/1068090736.db2.gz VKOKJIPWSWDMQF-QFIPXVFZSA-N 1 1 468.646 3.255 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(C)C)CC1 ZINC001303569698 1068092492 /nfs/dbraw/zinc/09/24/92/1068092492.db2.gz FXKYYRMXQHFQSM-UHFFFAOYSA-N 1 1 460.623 3.235 20 0 JGADMO C[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001305036988 1068093051 /nfs/dbraw/zinc/09/30/51/1068093051.db2.gz XRZWOIDBONOKMM-WBVHZDCISA-N 1 1 451.413 3.119 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001303570761 1068095090 /nfs/dbraw/zinc/09/50/90/1068095090.db2.gz DULQPCKXQWXTNR-LEWJYISDSA-N 1 1 459.610 3.370 20 0 JGADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305041277 1068096041 /nfs/dbraw/zinc/09/60/41/1068096041.db2.gz BZQWUEMRMRLGFY-FQEVSTJZSA-N 1 1 484.645 3.336 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 ZINC001303571470 1068096065 /nfs/dbraw/zinc/09/60/65/1068096065.db2.gz LBZRJVQYOIINRO-UHFFFAOYSA-N 1 1 466.634 3.247 20 0 JGADMO C[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCOCC2)C1 ZINC001305041684 1068096647 /nfs/dbraw/zinc/09/66/47/1068096647.db2.gz DNBFMQAOSRZYDX-UXHICEINSA-N 1 1 462.639 3.309 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001303572193 1068096833 /nfs/dbraw/zinc/09/68/33/1068096833.db2.gz YOXYRKXKKVLYSU-PMACEKPBSA-N 1 1 474.675 3.253 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001305042056 1068097926 /nfs/dbraw/zinc/09/79/26/1068097926.db2.gz HQEHPTQCAKOQOR-UGKGYDQZSA-N 1 1 493.649 3.132 20 0 JGADMO CC(C)OCC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001303572967 1068098934 /nfs/dbraw/zinc/09/89/34/1068098934.db2.gz XPTXINZLWNTGSW-SANMLTNESA-N 1 1 489.636 3.484 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CC[C@H](COc3ccccc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305042858 1068098969 /nfs/dbraw/zinc/09/89/69/1068098969.db2.gz LQWNSVIMRPKYAX-SFTDATJTSA-N 1 1 454.619 3.054 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001305043528 1068099927 /nfs/dbraw/zinc/09/99/27/1068099927.db2.gz QRIBRRVAIRPOPN-BRWVUGGUSA-N 1 1 465.524 3.292 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001305043692 1068100218 /nfs/dbraw/zinc/10/02/18/1068100218.db2.gz SKFWKQCFVUIRFN-IRXDYDNUSA-N 1 1 465.524 3.436 20 0 JGADMO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305044101 1068100278 /nfs/dbraw/zinc/10/02/78/1068100278.db2.gz ZBRVTTSZWRYCMK-GOTSBHOMSA-N 1 1 487.737 3.483 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001305044152 1068100759 /nfs/dbraw/zinc/10/07/59/1068100759.db2.gz WWNYKXRMYBPTGA-YYTDSSBASA-N 1 1 474.694 3.376 20 0 JGADMO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305044330 1068101332 /nfs/dbraw/zinc/10/13/32/1068101332.db2.gz ZSFDMZWGFRZFRF-WSYWFWNMSA-N 1 1 486.686 3.181 20 0 JGADMO C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001305046252 1068103913 /nfs/dbraw/zinc/10/39/13/1068103913.db2.gz IOSGUPUFDZIBMT-AQNXPRMDSA-N 1 1 462.639 3.165 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001305046472 1068104431 /nfs/dbraw/zinc/10/44/31/1068104431.db2.gz JSJQLXGXQZCLCW-HXUWFJFHSA-N 1 1 490.643 3.426 20 0 JGADMO CC(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305046637 1068104490 /nfs/dbraw/zinc/10/44/90/1068104490.db2.gz ARAIXHWTVXMBRT-HSZRJFAPSA-N 1 1 466.674 3.490 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CCOc3ccccc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001305046981 1068105472 /nfs/dbraw/zinc/10/54/72/1068105472.db2.gz DKQKHAAPLPKMLV-FYYLOGMGSA-N 1 1 489.686 3.035 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305047431 1068105949 /nfs/dbraw/zinc/10/59/49/1068105949.db2.gz GNSASGMJUXFQTD-GNADVCDUSA-N 1 1 490.737 3.474 20 0 JGADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001305049122 1068108640 /nfs/dbraw/zinc/10/86/40/1068108640.db2.gz NZTKNNNEJCHKTK-BSDSXHPESA-N 1 1 456.557 3.376 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001305049123 1068108653 /nfs/dbraw/zinc/10/86/53/1068108653.db2.gz NZTKNNNEJCHKTK-MLHJIOFPSA-N 1 1 456.557 3.376 20 0 JGADMO C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303588760 1068109065 /nfs/dbraw/zinc/10/90/65/1068109065.db2.gz DHZZIZYGDGYWQG-INIZCTEOSA-N 1 1 459.545 3.265 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CCOc3ccccc3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001305049578 1068109073 /nfs/dbraw/zinc/10/90/73/1068109073.db2.gz OKPHBUNSKMNTPA-JOCHJYFZSA-N 1 1 482.673 3.326 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001305049185 1068109217 /nfs/dbraw/zinc/10/92/17/1068109217.db2.gz MXTFLFCSZGNPFR-MSOLQXFVSA-N 1 1 460.648 3.005 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001305049623 1068109872 /nfs/dbraw/zinc/10/98/72/1068109872.db2.gz OQGMWUQRCYRSAK-HXUWFJFHSA-N 1 1 489.686 3.121 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305049626 1068109975 /nfs/dbraw/zinc/10/99/75/1068109975.db2.gz PUJGYBHPDOVSKF-RBUKOAKNSA-N 1 1 454.685 3.027 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(Nc3ccn(C)n3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305049887 1068110551 /nfs/dbraw/zinc/11/05/51/1068110551.db2.gz QMSSOXVOSPLCOW-OKZBNKHCSA-N 1 1 458.611 3.258 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001305049988 1068111234 /nfs/dbraw/zinc/11/12/34/1068111234.db2.gz LAIFPHZGUBJFCS-HKUYNNGSSA-N 1 1 481.066 3.129 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3ccccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305050035 1068111352 /nfs/dbraw/zinc/11/13/52/1068111352.db2.gz QPJPXASZOURXSR-MOPGFXCFSA-N 1 1 493.578 3.357 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303591177 1068111582 /nfs/dbraw/zinc/11/15/82/1068111582.db2.gz XZDQYRCKELHEME-WSTZPKSXSA-N 1 1 463.573 3.495 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001305050444 1068112631 /nfs/dbraw/zinc/11/26/31/1068112631.db2.gz VATQVEYEAJOVSF-HOTGVXAUSA-N 1 1 481.428 3.207 20 0 JGADMO C[C@H]1CCC[N@@H+](CCCCn2c(C3CC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305050531 1068112827 /nfs/dbraw/zinc/11/28/27/1068112827.db2.gz SWILOKISEMYCMG-FUHWJXTLSA-N 1 1 456.557 3.172 20 0 JGADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001305050972 1068113065 /nfs/dbraw/zinc/11/30/65/1068113065.db2.gz YQGIMGJHTCTRLM-KNQAVFIVSA-N 1 1 475.659 3.292 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001305050949 1068113081 /nfs/dbraw/zinc/11/30/81/1068113081.db2.gz YPFMXJYCLLUBOZ-WMZOPIPTSA-N 1 1 484.041 3.341 20 0 JGADMO C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303593769 1068114106 /nfs/dbraw/zinc/11/41/06/1068114106.db2.gz MFHYDFOXKNXCHA-VGSWGCGISA-N 1 1 498.582 3.153 20 0 JGADMO CC(C)O[C@@]1(c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305051316 1068114233 /nfs/dbraw/zinc/11/42/33/1068114233.db2.gz YWWXXWTUVONSDD-OFVILXPXSA-N 1 1 463.667 3.304 20 0 JGADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(Br)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305052814 1068116909 /nfs/dbraw/zinc/11/69/09/1068116909.db2.gz VIXMTCDIPVMEMB-LPHOPBHVSA-N 1 1 496.475 3.063 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001305057687 1068119869 /nfs/dbraw/zinc/11/98/69/1068119869.db2.gz BHJHTFIBUIILQC-CRAIPNDOSA-N 1 1 450.509 3.369 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)C1 ZINC001305058306 1068121292 /nfs/dbraw/zinc/12/12/92/1068121292.db2.gz HHVWMQIACSWSTJ-OAHLLOKOSA-N 1 1 451.413 3.146 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1 ZINC001305058650 1068121562 /nfs/dbraw/zinc/12/15/62/1068121562.db2.gz IDNZTPZXEUMSSU-RTBURBONSA-N 1 1 464.680 3.430 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001305058700 1068121609 /nfs/dbraw/zinc/12/16/09/1068121609.db2.gz JGTSGYIYPSUORM-JTSKRJEESA-N 1 1 466.552 3.278 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC1CCOCC1 ZINC001305059631 1068123792 /nfs/dbraw/zinc/12/37/92/1068123792.db2.gz MWJHMFOMSLUVNK-IBGZPJMESA-N 1 1 475.659 3.086 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001305059871 1068124547 /nfs/dbraw/zinc/12/45/47/1068124547.db2.gz QNJWRIAJDGBHPE-QGZVFWFLSA-N 1 1 454.516 3.177 20 0 JGADMO CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001303598824 1068124719 /nfs/dbraw/zinc/12/47/19/1068124719.db2.gz KUXCKTYTZNTTAU-IYOUNJFTSA-N 1 1 480.483 3.089 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001305060304 1068125240 /nfs/dbraw/zinc/12/52/40/1068125240.db2.gz VOHDIHCBKINEJC-WBVHZDCISA-N 1 1 470.014 3.093 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001305061355 1068127127 /nfs/dbraw/zinc/12/71/27/1068127127.db2.gz YTMGGZWMNCWHNM-WHUARKNTSA-N 1 1 452.628 3.122 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305061457 1068127194 /nfs/dbraw/zinc/12/71/94/1068127194.db2.gz HAMJQZVJCFGHRM-XUVXKRRUSA-N 1 1 462.639 3.307 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001305062547 1068129950 /nfs/dbraw/zinc/12/99/50/1068129950.db2.gz ZONSNNJXCDCHQL-HNNXBMFYSA-N 1 1 457.932 3.162 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001305062587 1068129970 /nfs/dbraw/zinc/12/99/70/1068129970.db2.gz ZQBXHEGLNDCUJX-GOSISDBHSA-N 1 1 464.618 3.170 20 0 JGADMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305062428 1068129980 /nfs/dbraw/zinc/12/99/80/1068129980.db2.gz OJHWSLIDPFLCFH-LJQANCHMSA-N 1 1 472.609 3.175 20 0 JGADMO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303602407 1068132642 /nfs/dbraw/zinc/13/26/42/1068132642.db2.gz NWVSFYGBTPKVRH-GPWHBBDMSA-N 1 1 482.654 3.386 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063988 1068134560 /nfs/dbraw/zinc/13/45/60/1068134560.db2.gz JTCXQZHLMPTIPS-DHIUTWEWSA-N 1 1 481.689 3.247 20 0 JGADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063991 1068134638 /nfs/dbraw/zinc/13/46/38/1068134638.db2.gz JTCXQZHLMPTIPS-XZOQPEGZSA-N 1 1 481.689 3.247 20 0 JGADMO C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccn2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303603292 1068134733 /nfs/dbraw/zinc/13/47/33/1068134733.db2.gz RWGZGDSVFWBBKH-FQEVSTJZSA-N 1 1 465.646 3.460 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303603882 1068136499 /nfs/dbraw/zinc/13/64/99/1068136499.db2.gz UNXAWNGHTZIYRW-CVCYQNGTSA-N 1 1 458.676 3.116 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303603882 1068136506 /nfs/dbraw/zinc/13/65/06/1068136506.db2.gz UNXAWNGHTZIYRW-CVCYQNGTSA-N 1 1 458.676 3.116 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303603882 1068136511 /nfs/dbraw/zinc/13/65/11/1068136511.db2.gz UNXAWNGHTZIYRW-CVCYQNGTSA-N 1 1 458.676 3.116 20 0 JGADMO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCOC2)n1CC[N@@H+](C)C1CCCC1 ZINC001303605138 1068137651 /nfs/dbraw/zinc/13/76/51/1068137651.db2.gz AXNZYIQGQDKFHS-UNMCSNQZSA-N 1 1 468.646 3.312 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303605603 1068138862 /nfs/dbraw/zinc/13/88/62/1068138862.db2.gz ZMBDKDQOUBEQLY-GOKJBEJGSA-N 1 1 495.697 3.301 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303605603 1068138868 /nfs/dbraw/zinc/13/88/68/1068138868.db2.gz ZMBDKDQOUBEQLY-GOKJBEJGSA-N 1 1 495.697 3.301 20 0 JGADMO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303605603 1068138873 /nfs/dbraw/zinc/13/88/73/1068138873.db2.gz ZMBDKDQOUBEQLY-GOKJBEJGSA-N 1 1 495.697 3.301 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303605606 1068138905 /nfs/dbraw/zinc/13/89/05/1068138905.db2.gz ZMBDKDQOUBEQLY-OTASCSKISA-N 1 1 495.697 3.301 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001303605606 1068138907 /nfs/dbraw/zinc/13/89/07/1068138907.db2.gz ZMBDKDQOUBEQLY-OTASCSKISA-N 1 1 495.697 3.301 20 0 JGADMO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001303605606 1068138912 /nfs/dbraw/zinc/13/89/12/1068138912.db2.gz ZMBDKDQOUBEQLY-OTASCSKISA-N 1 1 495.697 3.301 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001305075064 1068149242 /nfs/dbraw/zinc/14/92/42/1068149242.db2.gz ARPGWNLKMLXGDU-OALUTQOASA-N 1 1 462.664 3.018 20 0 JGADMO C[C@@H](c1ccco1)N(C)c1nnc(Cc2ccccn2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001303622845 1068153699 /nfs/dbraw/zinc/15/36/99/1068153699.db2.gz GECRSPFSZBNEIT-FQEVSTJZSA-N 1 1 451.619 3.328 20 0 JGADMO C[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1(C)C ZINC001305080775 1068153748 /nfs/dbraw/zinc/15/37/48/1068153748.db2.gz ZDHPVAHOIWTRAW-TZIWHRDSSA-N 1 1 455.651 3.099 20 0 JGADMO C[C@H](c1ccco1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303625629 1068156065 /nfs/dbraw/zinc/15/60/65/1068156065.db2.gz ZLGBYANHXVOBJC-QGZVFWFLSA-N 1 1 472.615 3.171 20 0 JGADMO C[C@H](c1ccco1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOCC1(C)C ZINC001303625629 1068156073 /nfs/dbraw/zinc/15/60/73/1068156073.db2.gz ZLGBYANHXVOBJC-QGZVFWFLSA-N 1 1 472.615 3.171 20 0 JGADMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N(C)C)CC1 ZINC001303627959 1068158320 /nfs/dbraw/zinc/15/83/20/1068158320.db2.gz DXSZBDDFPWGZFN-FBBABVLZSA-N 1 1 474.675 3.230 20 0 JGADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC001303631857 1068162747 /nfs/dbraw/zinc/16/27/47/1068162747.db2.gz QCNAUJCFEWPWLG-UHFFFAOYSA-N 1 1 454.332 3.101 20 0 JGADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(CC[NH+](C)C)CC2)CC[C@@H]1C ZINC001305100638 1068167514 /nfs/dbraw/zinc/16/75/14/1068167514.db2.gz YTDRIDDLAUSYSY-PMACEKPBSA-N 1 1 487.718 3.026 20 0 JGADMO CC(C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104638 1068172551 /nfs/dbraw/zinc/17/25/51/1068172551.db2.gz ZOHUGXSEVWNYJO-DEOSSOPVSA-N 1 1 454.663 3.379 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001303646046 1068174519 /nfs/dbraw/zinc/17/45/19/1068174519.db2.gz ORGUAGXQNKWOKO-DNVCBOLYSA-N 1 1 475.435 3.425 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001305111254 1068182361 /nfs/dbraw/zinc/18/23/61/1068182361.db2.gz ALGXVLAZVJKFJU-HDICACEKSA-N 1 1 476.691 3.169 20 0 JGADMO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC001305111419 1068182800 /nfs/dbraw/zinc/18/28/00/1068182800.db2.gz CGUNWHUXDTWYFU-XPWALMASSA-N 1 1 489.753 3.068 20 0 JGADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001305111285 1068182816 /nfs/dbraw/zinc/18/28/16/1068182816.db2.gz AWJGMIGRTHRBKB-CADBVGFASA-N 1 1 474.675 3.250 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001303653257 1068183891 /nfs/dbraw/zinc/18/38/91/1068183891.db2.gz NLDVZXZXQLZFKC-ZFJSRUIDSA-N 1 1 482.673 3.345 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(CCCO)CC2)C[C@H](C)O1 ZINC001305111730 1068184064 /nfs/dbraw/zinc/18/40/64/1068184064.db2.gz FYIYNUYQVIXMMM-RZUBCFFCSA-N 1 1 463.667 3.396 20 0 JGADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001303654424 1068185990 /nfs/dbraw/zinc/18/59/90/1068185990.db2.gz WGWXHWYIDHNKSG-QRVBRYPASA-N 1 1 491.681 3.013 20 0 JGADMO O=C(CN1C(=S)N=NC1c1cccs1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001303654581 1068186639 /nfs/dbraw/zinc/18/66/39/1068186639.db2.gz XBVQFJMOQKMOBC-HUUCEWRRSA-N 1 1 467.542 3.474 20 0 JGADMO O=C(CN1C(=S)N=NC1c1cccs1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001303654581 1068186641 /nfs/dbraw/zinc/18/66/41/1068186641.db2.gz XBVQFJMOQKMOBC-HUUCEWRRSA-N 1 1 467.542 3.474 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCn2cccn2)C[C@H](C)O1 ZINC001305112496 1068186736 /nfs/dbraw/zinc/18/67/36/1068186736.db2.gz IGCNVYIBKNIWRX-HDICACEKSA-N 1 1 473.025 3.214 20 0 JGADMO C[C@@H](Cc1cccs1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001303656311 1068188338 /nfs/dbraw/zinc/18/83/38/1068188338.db2.gz HYUYURDVAKEYPG-IBGZPJMESA-N 1 1 497.669 3.413 20 0 JGADMO C[C@@H](Cc1cccs1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001303656311 1068188342 /nfs/dbraw/zinc/18/83/42/1068188342.db2.gz HYUYURDVAKEYPG-IBGZPJMESA-N 1 1 497.669 3.413 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3CCO[C@@H](c4nccs4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112932 1068188625 /nfs/dbraw/zinc/18/86/25/1068188625.db2.gz QRZSAMDXNXZBLT-FGTMMUONSA-N 1 1 462.664 3.498 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2C[C@H](C)S[C@@H](C)C2)C[C@H](C)O1 ZINC001305113067 1068188722 /nfs/dbraw/zinc/18/87/22/1068188722.db2.gz RBXHNYAYHIIHDM-YRPNKDGESA-N 1 1 458.676 3.482 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001305113264 1068189520 /nfs/dbraw/zinc/18/95/20/1068189520.db2.gz SKCQDSAPRDQWEX-YPAWHYETSA-N 1 1 476.710 3.371 20 0 JGADMO C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001305113264 1068189522 /nfs/dbraw/zinc/18/95/22/1068189522.db2.gz SKCQDSAPRDQWEX-YPAWHYETSA-N 1 1 476.710 3.371 20 0 JGADMO CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305113705 1068190587 /nfs/dbraw/zinc/19/05/87/1068190587.db2.gz VZTIVRRPUAFMTM-SZPZYZBQSA-N 1 1 469.678 3.072 20 0 JGADMO CC(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305113705 1068190590 /nfs/dbraw/zinc/19/05/90/1068190590.db2.gz VZTIVRRPUAFMTM-SZPZYZBQSA-N 1 1 469.678 3.072 20 0 JGADMO C[C@H]1CN(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001305114235 1068191119 /nfs/dbraw/zinc/19/11/19/1068191119.db2.gz QRXLDBUDFMKGAQ-SFTDATJTSA-N 1 1 484.693 3.181 20 0 JGADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2)C[C@H](C)O1 ZINC001305115406 1068194105 /nfs/dbraw/zinc/19/41/05/1068194105.db2.gz YDZVZMUYSMJDLL-BGYRXZFFSA-N 1 1 454.619 3.038 20 0 JGADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2)C[C@H](C)O1 ZINC001305115406 1068194107 /nfs/dbraw/zinc/19/41/07/1068194107.db2.gz YDZVZMUYSMJDLL-BGYRXZFFSA-N 1 1 454.619 3.038 20 0 JGADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303663214 1068194316 /nfs/dbraw/zinc/19/43/16/1068194316.db2.gz LWUZBQQFGMFYJO-FPOVZHCZSA-N 1 1 457.619 3.056 20 0 JGADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303663215 1068194332 /nfs/dbraw/zinc/19/43/32/1068194332.db2.gz LWUZBQQFGMFYJO-PZJWPPBQSA-N 1 1 457.619 3.056 20 0 JGADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001303663391 1068195157 /nfs/dbraw/zinc/19/51/57/1068195157.db2.gz ZCUXNMONSHFKNQ-DEOSSOPVSA-N 1 1 456.591 3.476 20 0 JGADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001305121778 1068204627 /nfs/dbraw/zinc/20/46/27/1068204627.db2.gz JIVYCOAQVFTXGY-AZUAARDMSA-N 1 1 475.037 3.207 20 0 JGADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2ccccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC001305122161 1068205011 /nfs/dbraw/zinc/20/50/11/1068205011.db2.gz LVTDAQFOGPXJJM-VWQFJMCTSA-N 1 1 462.038 3.294 20 0 JGADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2ccccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC001305122162 1068205094 /nfs/dbraw/zinc/20/50/94/1068205094.db2.gz LVTDAQFOGPXJJM-WSCWJOSJSA-N 1 1 462.038 3.294 20 0 JGADMO C[C@@H](CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001303672589 1068208486 /nfs/dbraw/zinc/20/84/86/1068208486.db2.gz CCWBBOQQOAJCQX-VQTJNVASSA-N 1 1 476.691 3.250 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)c2ccccc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303672591 1068208542 /nfs/dbraw/zinc/20/85/42/1068208542.db2.gz CCWBBOQQOAJCQX-WOJBJXKFSA-N 1 1 476.691 3.250 20 0 JGADMO C[C@H](CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001303672585 1068208583 /nfs/dbraw/zinc/20/85/83/1068208583.db2.gz CCWBBOQQOAJCQX-UXHICEINSA-N 1 1 476.691 3.250 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001305124413 1068210510 /nfs/dbraw/zinc/21/05/10/1068210510.db2.gz ZKKZYRAAQOVLRT-WOJBJXKFSA-N 1 1 463.586 3.061 20 0 JGADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[NH+](C[C@H]3CCCO3)CC2)nnc1C(C)(C)C ZINC001303673637 1068210506 /nfs/dbraw/zinc/21/05/06/1068210506.db2.gz DVVVMXZEQJQIDA-VQTJNVASSA-N 1 1 478.682 3.380 20 0 JGADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H](C)S1 ZINC001305125305 1068211981 /nfs/dbraw/zinc/21/19/81/1068211981.db2.gz WEZOUWHKTCHLLI-BBWFWOEESA-N 1 1 455.588 3.152 20 0 JGADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001303674544 1068212396 /nfs/dbraw/zinc/21/23/96/1068212396.db2.gz NANBSAZJJYSMTD-UQBPGWFLSA-N 1 1 478.682 3.380 20 0 JGADMO C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)C1CCCC1)c1nccs1 ZINC001303674780 1068212932 /nfs/dbraw/zinc/21/29/32/1068212932.db2.gz PPFYUHJAZHRGGG-QGZVFWFLSA-N 1 1 468.631 3.496 20 0 JGADMO C[C@@H](CN(C)c1nnc(-c2ccccn2)n1CC1CCN(CC[NH+](C)C)CC1)c1nccs1 ZINC001303675530 1068214501 /nfs/dbraw/zinc/21/45/01/1068214501.db2.gz XRFKVXSVLDDQJR-IBGZPJMESA-N 1 1 468.675 3.310 20 0 JGADMO CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCOCC1 ZINC001303682477 1068218940 /nfs/dbraw/zinc/21/89/40/1068218940.db2.gz DSHWXTXIJJSXAQ-CTNGQTDRSA-N 1 1 469.659 3.317 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C)S1 ZINC001305133142 1068219350 /nfs/dbraw/zinc/21/93/50/1068219350.db2.gz LMTOJFKMMHAPQW-SXGZJXTBSA-N 1 1 466.449 3.104 20 0 JGADMO CC(C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001305133171 1068219479 /nfs/dbraw/zinc/21/94/79/1068219479.db2.gz JPAYTZBNXUNBIS-FQEVSTJZSA-N 1 1 459.660 3.327 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001305135362 1068223444 /nfs/dbraw/zinc/22/34/44/1068223444.db2.gz GRYYPKJLMLRRRV-MAUKXSAKSA-N 1 1 455.937 3.037 20 0 JGADMO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC001303687380 1068225264 /nfs/dbraw/zinc/22/52/64/1068225264.db2.gz JZGOYPRXZWATKY-ZWKOTPCHSA-N 1 1 480.654 3.142 20 0 JGADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@H](C)C1 ZINC001305136723 1068226959 /nfs/dbraw/zinc/22/69/59/1068226959.db2.gz XIVZJGVXSFSMAQ-JKSUJKDBSA-N 1 1 451.413 3.146 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303688469 1068227120 /nfs/dbraw/zinc/22/71/20/1068227120.db2.gz ZDWMYJDISLTKLH-NRFANRHFSA-N 1 1 468.646 3.024 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC001303688305 1068227156 /nfs/dbraw/zinc/22/71/56/1068227156.db2.gz YTCYSVQTRYIEQP-SLFFLAALSA-N 1 1 472.609 3.002 20 0 JGADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC001303688305 1068227167 /nfs/dbraw/zinc/22/71/67/1068227167.db2.gz YTCYSVQTRYIEQP-SLFFLAALSA-N 1 1 472.609 3.002 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)S1 ZINC001305139887 1068233566 /nfs/dbraw/zinc/23/35/66/1068233566.db2.gz XHTLWLBPNLYXDZ-GJZGRUSLSA-N 1 1 483.480 3.477 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)S1 ZINC001305139887 1068233579 /nfs/dbraw/zinc/23/35/79/1068233579.db2.gz XHTLWLBPNLYXDZ-GJZGRUSLSA-N 1 1 483.480 3.477 20 0 JGADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001305140214 1068234011 /nfs/dbraw/zinc/23/40/11/1068234011.db2.gz YZIJMSPVEUAISB-ZCNNSNEGSA-N 1 1 474.675 3.003 20 0 JGADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001303693312 1068235925 /nfs/dbraw/zinc/23/59/25/1068235925.db2.gz DRJKVLXPYPMBEO-HNNXBMFYSA-N 1 1 462.385 3.399 20 0 JGADMO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(F)F)C1)[N@@H+](C)C1CC1 ZINC001303694502 1068237273 /nfs/dbraw/zinc/23/72/73/1068237273.db2.gz FEFCEFBRAVCLDW-AEFFLSMTSA-N 1 1 496.628 3.160 20 0 JGADMO C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC001303700326 1068243103 /nfs/dbraw/zinc/24/31/03/1068243103.db2.gz DIYVCHRLLOWJCH-QZTJIDSGSA-N 1 1 455.607 3.174 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001303701809 1068245756 /nfs/dbraw/zinc/24/57/56/1068245756.db2.gz VXMJEJAPLJXNLH-IBGZPJMESA-N 1 1 468.577 3.494 20 0 JGADMO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001303701809 1068245765 /nfs/dbraw/zinc/24/57/65/1068245765.db2.gz VXMJEJAPLJXNLH-IBGZPJMESA-N 1 1 468.577 3.494 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001303703453 1068247790 /nfs/dbraw/zinc/24/77/90/1068247790.db2.gz QIBCANQGONZYIM-IBGZPJMESA-N 1 1 470.593 3.437 20 0 JGADMO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1cccc(F)c1 ZINC001303703453 1068247795 /nfs/dbraw/zinc/24/77/95/1068247795.db2.gz QIBCANQGONZYIM-IBGZPJMESA-N 1 1 470.593 3.437 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC001303703875 1068248699 /nfs/dbraw/zinc/24/86/99/1068248699.db2.gz DAYIUPIWPBJRTG-QRVBRYPASA-N 1 1 475.638 3.074 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC001303703875 1068248710 /nfs/dbraw/zinc/24/87/10/1068248710.db2.gz DAYIUPIWPBJRTG-QRVBRYPASA-N 1 1 475.638 3.074 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)Oc1ccc(F)cc1 ZINC001303704092 1068248881 /nfs/dbraw/zinc/24/88/81/1068248881.db2.gz FBFYJJMOHKTJLY-LJQANCHMSA-N 1 1 485.608 3.080 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC001303703851 1068248952 /nfs/dbraw/zinc/24/89/52/1068248952.db2.gz CPNVGJLDYCXQDR-MRXNPFEDSA-N 1 1 463.508 3.055 20 0 JGADMO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)[NH+]1CCOCC1 ZINC001303704099 1068249520 /nfs/dbraw/zinc/24/95/20/1068249520.db2.gz FEIJILISWZOKOI-CYBMUJFWSA-N 1 1 455.510 3.106 20 0 JGADMO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303706246 1068250738 /nfs/dbraw/zinc/25/07/38/1068250738.db2.gz WTALZPZLWDSVCG-KRWDZBQOSA-N 1 1 457.623 3.497 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC(C)(C)O1 ZINC001305148595 1068252129 /nfs/dbraw/zinc/25/21/29/1068252129.db2.gz ZDDZHQTUCDOZFY-HZPDHXFCSA-N 1 1 451.974 3.462 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)CC(C)(C)O1 ZINC001305148595 1068252134 /nfs/dbraw/zinc/25/21/34/1068252134.db2.gz ZDDZHQTUCDOZFY-HZPDHXFCSA-N 1 1 451.974 3.462 20 0 JGADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001305149406 1068253712 /nfs/dbraw/zinc/25/37/12/1068253712.db2.gz UZXOQNPWYYQGCF-YLJYHZDGSA-N 1 1 475.037 3.060 20 0 JGADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303708392 1068253978 /nfs/dbraw/zinc/25/39/78/1068253978.db2.gz PDUPFEFRLREVSG-DENIHFKCSA-N 1 1 494.644 3.303 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303716213 1068263830 /nfs/dbraw/zinc/26/38/30/1068263830.db2.gz DPKJACBRQULFPA-RBUKOAKNSA-N 1 1 476.666 3.491 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305156592 1068264780 /nfs/dbraw/zinc/26/47/80/1068264780.db2.gz WFBLSANGEYDELJ-QKNQBKEWSA-N 1 1 470.618 3.015 20 0 JGADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305156593 1068264840 /nfs/dbraw/zinc/26/48/40/1068264840.db2.gz WFBLSANGEYDELJ-SBHAEUEKSA-N 1 1 470.618 3.015 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305164627 1068274303 /nfs/dbraw/zinc/27/43/03/1068274303.db2.gz IOIOVPDXCMEUDT-SVFBPWRDSA-N 1 1 484.649 3.205 20 0 JGADMO CC(C)n1nc(-c2nnc(N3CCCO[C@H](C)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001305164738 1068274747 /nfs/dbraw/zinc/27/47/47/1068274747.db2.gz JPLHKFIZKLHJCS-LJQANCHMSA-N 1 1 467.618 3.191 20 0 JGADMO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001303724079 1068274938 /nfs/dbraw/zinc/27/49/38/1068274938.db2.gz WQISOVVXUJNJII-RBBKRZOGSA-N 1 1 489.686 3.204 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303724320 1068275542 /nfs/dbraw/zinc/27/55/42/1068275542.db2.gz LTGKMSSDWSLYKJ-CTNGQTDRSA-N 1 1 461.676 3.401 20 0 JGADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1 ZINC001303724320 1068275547 /nfs/dbraw/zinc/27/55/47/1068275547.db2.gz LTGKMSSDWSLYKJ-CTNGQTDRSA-N 1 1 461.676 3.401 20 0 JGADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCN1CC(F)(F)F ZINC001305165773 1068276584 /nfs/dbraw/zinc/27/65/84/1068276584.db2.gz QZSNCHQRFZOOIF-KRWDZBQOSA-N 1 1 492.525 3.079 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001305166992 1068277885 /nfs/dbraw/zinc/27/78/85/1068277885.db2.gz JCODWPCCMTZHRV-CRAIPNDOSA-N 1 1 493.534 3.480 20 0 JGADMO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC001303726546 1068279370 /nfs/dbraw/zinc/27/93/70/1068279370.db2.gz FRVBQVGFYCRZNJ-UTKZUKDTSA-N 1 1 480.078 3.409 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305168837 1068279860 /nfs/dbraw/zinc/27/98/60/1068279860.db2.gz BYMTWQGFFWAOLE-HKUYNNGSSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCC3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305168837 1068279869 /nfs/dbraw/zinc/27/98/69/1068279869.db2.gz BYMTWQGFFWAOLE-HKUYNNGSSA-N 1 1 462.639 3.006 20 0 JGADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001303727501 1068281193 /nfs/dbraw/zinc/28/11/93/1068281193.db2.gz FOJOUSOQMMINGP-OALUTQOASA-N 1 1 469.634 3.192 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170902 1068282732 /nfs/dbraw/zinc/28/27/32/1068282732.db2.gz PMHDOXRUSPLQEH-IBGZPJMESA-N 1 1 475.682 3.017 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170902 1068282745 /nfs/dbraw/zinc/28/27/45/1068282745.db2.gz PMHDOXRUSPLQEH-IBGZPJMESA-N 1 1 475.682 3.017 20 0 JGADMO C[C@H]1CN(c2nnc(C3CCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170902 1068282757 /nfs/dbraw/zinc/28/27/57/1068282757.db2.gz PMHDOXRUSPLQEH-IBGZPJMESA-N 1 1 475.682 3.017 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[N@@H+](C)C1CC1 ZINC001303731224 1068285963 /nfs/dbraw/zinc/28/59/63/1068285963.db2.gz IUPSPCQDSLXNNJ-ZUQCGGBESA-N 1 1 452.628 3.120 20 0 JGADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[N@@H+](C)C1CC1 ZINC001303731221 1068285996 /nfs/dbraw/zinc/28/59/96/1068285996.db2.gz IUPSPCQDSLXNNJ-CVCYQNGTSA-N 1 1 452.628 3.120 20 0 JGADMO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001303734970 1068291783 /nfs/dbraw/zinc/29/17/83/1068291783.db2.gz SRQZQSBCAOFUPG-HSZRJFAPSA-N 1 1 468.690 3.485 20 0 JGADMO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001303735784 1068293443 /nfs/dbraw/zinc/29/34/43/1068293443.db2.gz DPEURWJAZMCMID-WOJBJXKFSA-N 1 1 477.053 3.009 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)CCN1CC(F)(F)F ZINC001305182690 1068300557 /nfs/dbraw/zinc/30/05/57/1068300557.db2.gz LLBPAOWXRMFJEH-TZIWHRDSSA-N 1 1 480.579 3.377 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1CCN(c2ccccc2)CC1)[NH+](C)C ZINC001303742999 1068301451 /nfs/dbraw/zinc/30/14/51/1068301451.db2.gz KMPJQTJQJMNHQU-ICDZXHCJSA-N 1 1 497.732 3.405 20 0 JGADMO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001305185114 1068302992 /nfs/dbraw/zinc/30/29/92/1068302992.db2.gz YMGIEHQURKYHJE-RTBURBONSA-N 1 1 462.639 3.102 20 0 JGADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305191942 1068314339 /nfs/dbraw/zinc/31/43/39/1068314339.db2.gz VOIBSGKDEXFSKN-DENIHFKCSA-N 1 1 459.610 3.249 20 0 JGADMO CC(C)N1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001303752972 1068314449 /nfs/dbraw/zinc/31/44/49/1068314449.db2.gz VBURISGCFAGSIP-FDFHNCONSA-N 1 1 489.709 3.311 20 0 JGADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001305193477 1068317336 /nfs/dbraw/zinc/31/73/36/1068317336.db2.gz VHGLQFWGNWVGAQ-QFBILLFUSA-N 1 1 452.525 3.294 20 0 JGADMO CC(C)[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303755529 1068318970 /nfs/dbraw/zinc/31/89/70/1068318970.db2.gz OLFIQKPABYHKFW-DENIHFKCSA-N 1 1 489.064 3.455 20 0 JGADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303756237 1068319799 /nfs/dbraw/zinc/31/97/99/1068319799.db2.gz RMWODUKNEWQGPB-LJQANCHMSA-N 1 1 467.618 3.076 20 0 JGADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303756629 1068320393 /nfs/dbraw/zinc/32/03/93/1068320393.db2.gz UNKYOYHVTVAKTD-JYLXEMOASA-N 1 1 478.037 3.247 20 0 JGADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCSC1)C[NH+]1CCOCC1 ZINC001303758581 1068322068 /nfs/dbraw/zinc/32/20/68/1068322068.db2.gz CVDAATGPOMGJHN-SJORKVTESA-N 1 1 451.587 3.057 20 0 JGADMO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC001303759231 1068323200 /nfs/dbraw/zinc/32/32/00/1068323200.db2.gz PWMSBYBQDKSYSO-SJORKVTESA-N 1 1 454.040 3.492 20 0 JGADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOC(C)(C)C)C[NH+]1CCOCC1 ZINC001303764571 1068334190 /nfs/dbraw/zinc/33/41/90/1068334190.db2.gz UNHZDYVEMXOOHB-NJDAHSKKSA-N 1 1 465.683 3.416 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001305211948 1068342055 /nfs/dbraw/zinc/34/20/55/1068342055.db2.gz VNMUTHMXLGXPJF-IFMALSPDSA-N 1 1 454.619 3.097 20 0 JGADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCCC2)CCCO1 ZINC001305212799 1068343599 /nfs/dbraw/zinc/34/35/99/1068343599.db2.gz XLUMDVCXRUXPII-GOSISDBHSA-N 1 1 460.648 3.149 20 0 JGADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCCC2)CCCO1 ZINC001305212800 1068343666 /nfs/dbraw/zinc/34/36/66/1068343666.db2.gz XLUMDVCXRUXPII-SFHVURJKSA-N 1 1 460.648 3.149 20 0 JGADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC2CCN(CC[NH+](C)C)CC2)CCS1 ZINC001305213090 1068344736 /nfs/dbraw/zinc/34/47/36/1068344736.db2.gz XLQNMJPUJRLRCF-OAQYLSRUSA-N 1 1 456.704 3.279 20 0 JGADMO CC(C)NC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305215489 1068350251 /nfs/dbraw/zinc/35/02/51/1068350251.db2.gz FZDLQNVVOUQCRK-CZTZKLFOSA-N 1 1 460.667 3.032 20 0 JGADMO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001305218138 1068354957 /nfs/dbraw/zinc/35/49/57/1068354957.db2.gz XEZLLVXIFYIYSO-QAPCUYQASA-N 1 1 459.488 3.492 20 0 JGADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001303777116 1068355017 /nfs/dbraw/zinc/35/50/17/1068355017.db2.gz DOYXXUYNEISNSG-GOSISDBHSA-N 1 1 471.737 3.098 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H](C)S1 ZINC001305218429 1068355705 /nfs/dbraw/zinc/35/57/05/1068355705.db2.gz ZPJRJGOSXRVAPT-QZTJIDSGSA-N 1 1 463.623 3.437 20 0 JGADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C[C@@H](C)S1 ZINC001305218429 1068355720 /nfs/dbraw/zinc/35/57/20/1068355720.db2.gz ZPJRJGOSXRVAPT-QZTJIDSGSA-N 1 1 463.623 3.437 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCOC2)CCCO1 ZINC001305219334 1068356053 /nfs/dbraw/zinc/35/60/53/1068356053.db2.gz AWIJEOARBGQMIY-UXHICEINSA-N 1 1 478.037 3.484 20 0 JGADMO C[C@H]1COCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305220018 1068357419 /nfs/dbraw/zinc/35/74/19/1068357419.db2.gz DSJJVZWQNYGFDN-OALUTQOASA-N 1 1 464.010 3.237 20 0 JGADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCC(F)(F)C2)C[C@H](C)O1 ZINC001305220468 1068358433 /nfs/dbraw/zinc/35/84/33/1068358433.db2.gz FZAMPBFHCFHGIC-CALCHBBNSA-N 1 1 453.509 3.341 20 0 JGADMO CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305220999 1068359094 /nfs/dbraw/zinc/35/90/94/1068359094.db2.gz HZUHOJPKEMPWDT-ZDXQCDESSA-N 1 1 455.647 3.424 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(CCOc2ccccc2)n1CCN(C)CC(F)(F)F ZINC001305221205 1068359306 /nfs/dbraw/zinc/35/93/06/1068359306.db2.gz GURDWFOWGPCYFW-MOPGFXCFSA-N 1 1 466.552 3.067 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2c(F)cccc2F)n1CCCCCS(C)(=O)=O ZINC001305221597 1068360627 /nfs/dbraw/zinc/36/06/27/1068360627.db2.gz IEFGGWJWTOTEDC-QZTJIDSGSA-N 1 1 481.613 3.035 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2c(F)cccc2F)n1CCCCCS(C)(=O)=O ZINC001305221581 1068360774 /nfs/dbraw/zinc/36/07/74/1068360774.db2.gz IEFGGWJWTOTEDC-MSOLQXFVSA-N 1 1 481.613 3.035 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)C[C@H](C)O1 ZINC001305222113 1068361999 /nfs/dbraw/zinc/36/19/99/1068361999.db2.gz NAYZXJMSSZFQJS-ZCNNSNEGSA-N 1 1 475.609 3.499 20 0 JGADMO CC(F)(F)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001303782721 1068362397 /nfs/dbraw/zinc/36/23/97/1068362397.db2.gz PKWIRELOIJEWKO-GOSISDBHSA-N 1 1 496.990 3.065 20 0 JGADMO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305222544 1068362682 /nfs/dbraw/zinc/36/26/82/1068362682.db2.gz PHHPXKCPROEXFN-RTBURBONSA-N 1 1 490.599 3.377 20 0 JGADMO C[C@H]1C[NH+](CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 ZINC001305222619 1068363599 /nfs/dbraw/zinc/36/35/99/1068363599.db2.gz PNFHDQCLMVTPQH-ROUUACIJSA-N 1 1 498.118 3.292 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(C)O ZINC001305222809 1068364269 /nfs/dbraw/zinc/36/42/69/1068364269.db2.gz MYNWJJBFULTDOA-ICSRJNTNSA-N 1 1 476.666 3.227 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccccc3F)nnc2N2CCCO[C@@H](C)C2)CCCO1 ZINC001305223143 1068364336 /nfs/dbraw/zinc/36/43/36/1068364336.db2.gz RQNDUAALJAZXLT-UXHICEINSA-N 1 1 461.582 3.112 20 0 JGADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CCCO1 ZINC001305223330 1068364614 /nfs/dbraw/zinc/36/46/14/1068364614.db2.gz SWVBWJFMDMRCCK-TZIWHRDSSA-N 1 1 492.665 3.124 20 0 JGADMO CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001305223637 1068364779 /nfs/dbraw/zinc/36/47/79/1068364779.db2.gz URDXEXAVSATMOM-NZQKXSOJSA-N 1 1 475.609 3.358 20 0 JGADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305225062 1068368423 /nfs/dbraw/zinc/36/84/23/1068368423.db2.gz SVNOFZNDNYPRSH-CEXWTWQISA-N 1 1 462.639 3.496 20 0 JGADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCCCO ZINC001305226362 1068370716 /nfs/dbraw/zinc/37/07/16/1068370716.db2.gz YUKSEWNFOZIOKC-UNMCSNQZSA-N 1 1 471.646 3.227 20 0 JGADMO C[C@H]1COCCN1c1nnc(-c2cccc(Br)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305226469 1068370758 /nfs/dbraw/zinc/37/07/58/1068370758.db2.gz ALXVRCXUKJWWDA-SFHVURJKSA-N 1 1 491.478 3.206 20 0 JGADMO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001303789547 1068372861 /nfs/dbraw/zinc/37/28/61/1068372861.db2.gz VWNZWUAOFOPUAQ-LJQANCHMSA-N 1 1 490.578 3.274 20 0 JGADMO C[C@@H]1COCCN1c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305227947 1068373142 /nfs/dbraw/zinc/37/31/42/1068373142.db2.gz JCFHOEHQSGJWJH-MRXNPFEDSA-N 1 1 464.408 3.044 20 0 JGADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCOCC2)C1 ZINC001303794971 1068381884 /nfs/dbraw/zinc/38/18/84/1068381884.db2.gz COWUJODTJOHIAM-VQTJNVASSA-N 1 1 478.682 3.428 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305234115 1068381918 /nfs/dbraw/zinc/38/19/18/1068381918.db2.gz KWXNOYPUJUEAJV-HZPDHXFCSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@@H]1CSCCN1c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCOC[C@H]1C ZINC001305234115 1068381939 /nfs/dbraw/zinc/38/19/39/1068381939.db2.gz KWXNOYPUJUEAJV-HZPDHXFCSA-N 1 1 466.449 3.370 20 0 JGADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001305234191 1068382500 /nfs/dbraw/zinc/38/25/00/1068382500.db2.gz LZYQUIIXCRVMHL-GTOJURISSA-N 1 1 489.045 3.088 20 0 JGADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001305234191 1068382521 /nfs/dbraw/zinc/38/25/21/1068382521.db2.gz LZYQUIIXCRVMHL-GTOJURISSA-N 1 1 489.045 3.088 20 0 JGADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl ZINC001305234789 1068384519 /nfs/dbraw/zinc/38/45/19/1068384519.db2.gz XGRCWSXWBRABFP-GOSISDBHSA-N 1 1 456.978 3.229 20 0 JGADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl ZINC001305234789 1068384534 /nfs/dbraw/zinc/38/45/34/1068384534.db2.gz XGRCWSXWBRABFP-GOSISDBHSA-N 1 1 456.978 3.229 20 0 JGADMO CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC001303798380 1068389918 /nfs/dbraw/zinc/38/99/18/1068389918.db2.gz ANSBBSWFXNOYBP-OOADCZFESA-N 1 1 451.567 3.137 20 0 JGADMO C[C@@H]1N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1(C)C ZINC001305242224 1068393226 /nfs/dbraw/zinc/39/32/26/1068393226.db2.gz HVGSRARPGWZMNV-FQEVSTJZSA-N 1 1 457.619 3.014 20 0 JGADMO C[C@@H]1N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1(C)C ZINC001305242224 1068393237 /nfs/dbraw/zinc/39/32/37/1068393237.db2.gz HVGSRARPGWZMNV-FQEVSTJZSA-N 1 1 457.619 3.014 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303800255 1068394288 /nfs/dbraw/zinc/39/42/88/1068394288.db2.gz XYZBYAKFUCWEPQ-UXHICEINSA-N 1 1 499.660 3.190 20 0 JGADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303800255 1068394306 /nfs/dbraw/zinc/39/43/06/1068394306.db2.gz XYZBYAKFUCWEPQ-UXHICEINSA-N 1 1 499.660 3.190 20 0 JGADMO CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001303800493 1068395204 /nfs/dbraw/zinc/39/52/04/1068395204.db2.gz YUQYWJJZGQLQFU-RTBURBONSA-N 1 1 472.638 3.205 20 0 JGADMO C[C@@H]1N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)CCOC1(C)C ZINC001305245327 1068398392 /nfs/dbraw/zinc/39/83/92/1068398392.db2.gz MKPJRTZSFYERKZ-XUVXKRRUSA-N 1 1 463.667 3.311 20 0 JGADMO CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)c2)cc1 ZINC001303802371 1068399258 /nfs/dbraw/zinc/39/92/58/1068399258.db2.gz VLGNDXNAVFINMU-VBKZILBWSA-N 1 1 451.976 3.362 20 0 JGADMO C[C@H]1OCC[C@@]1(O)Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305249562 1068407927 /nfs/dbraw/zinc/40/79/27/1068407927.db2.gz KDJHOKUDXVZTNU-QFQXNSOFSA-N 1 1 455.647 3.304 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(C)CCC1 ZINC001303805899 1068410276 /nfs/dbraw/zinc/41/02/76/1068410276.db2.gz GHJFRVGNOOGHEC-CTNGQTDRSA-N 1 1 474.675 3.179 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303808216 1068414833 /nfs/dbraw/zinc/41/48/33/1068414833.db2.gz CQFRALBEUOYIGF-GOEBONIOSA-N 1 1 496.012 3.091 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001303809272 1068416165 /nfs/dbraw/zinc/41/61/65/1068416165.db2.gz HMNXORSMLUQTQL-GDBMZVCRSA-N 1 1 496.012 3.091 20 0 JGADMO C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)[C@@H]1C ZINC001305256805 1068420594 /nfs/dbraw/zinc/42/05/94/1068420594.db2.gz SAGGYMCWQDVPNK-HUUCEWRRSA-N 1 1 469.453 3.088 20 0 JGADMO C[C@@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)[C@H]1C ZINC001305256804 1068420661 /nfs/dbraw/zinc/42/06/61/1068420661.db2.gz SAGGYMCWQDVPNK-GJZGRUSLSA-N 1 1 469.453 3.088 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001303817968 1068431431 /nfs/dbraw/zinc/43/14/31/1068431431.db2.gz VREPVNWJWYTOKH-APWZRJJASA-N 1 1 488.649 3.167 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305262253 1068432842 /nfs/dbraw/zinc/43/28/42/1068432842.db2.gz AUTHTJBZIPHJMT-LADGPHEKSA-N 1 1 498.672 3.017 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001305263465 1068437778 /nfs/dbraw/zinc/43/77/78/1068437778.db2.gz CWPMMLUFNMZGRP-FGZHOGPDSA-N 1 1 453.635 3.023 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC001305264390 1068441591 /nfs/dbraw/zinc/44/15/91/1068441591.db2.gz FPIOUIPRVWFUFS-HUVFLSCGSA-N 1 1 482.673 3.292 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001305264523 1068442400 /nfs/dbraw/zinc/44/24/00/1068442400.db2.gz GOVAWMWTXXZBQY-FCHUYYIVSA-N 1 1 456.610 3.377 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCn2cc[nH+]c2C)C1 ZINC001305264800 1068443674 /nfs/dbraw/zinc/44/36/74/1068443674.db2.gz GWNHVTTXWOPDKT-OAQYLSRUSA-N 1 1 465.602 3.174 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCn2cc[nH+]c2C)C1 ZINC001305264795 1068443688 /nfs/dbraw/zinc/44/36/88/1068443688.db2.gz GWNHVTTXWOPDKT-NRFANRHFSA-N 1 1 465.602 3.174 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001305265304 1068445553 /nfs/dbraw/zinc/44/55/53/1068445553.db2.gz PDTXIZYYIJPDHR-VXKWHMMOSA-N 1 1 489.064 3.450 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303827171 1068445532 /nfs/dbraw/zinc/44/55/32/1068445532.db2.gz OSCOXVZCRXOOMF-GPHNJDIKSA-N 1 1 492.665 3.174 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001305265712 1068446648 /nfs/dbraw/zinc/44/66/48/1068446648.db2.gz MPCIHMHDOIVUBG-PMACEKPBSA-N 1 1 484.645 3.189 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303830949 1068456098 /nfs/dbraw/zinc/45/60/98/1068456098.db2.gz MRXJGYQHEMUZGM-QUCCMNQESA-N 1 1 492.665 3.143 20 0 JGADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001305268024 1068456547 /nfs/dbraw/zinc/45/65/47/1068456547.db2.gz QXHAVVQHBUHVDM-VXKWHMMOSA-N 1 1 489.064 3.330 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001303832194 1068457745 /nfs/dbraw/zinc/45/77/45/1068457745.db2.gz UZQBONJIYSFLTE-OALUTQOASA-N 1 1 466.696 3.027 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001305269093 1068459991 /nfs/dbraw/zinc/45/99/91/1068459991.db2.gz TXOKKTFJMZSEFA-VQTJNVASSA-N 1 1 453.635 3.346 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001305272242 1068471060 /nfs/dbraw/zinc/47/10/60/1068471060.db2.gz TUHJYVIEJOLMKJ-NHCUHLMSSA-N 1 1 454.619 3.145 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001305272883 1068473438 /nfs/dbraw/zinc/47/34/38/1068473438.db2.gz YASLSKGHFSBUJV-QUCCMNQESA-N 1 1 473.691 3.249 20 0 JGADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001305273478 1068475335 /nfs/dbraw/zinc/47/53/35/1068475335.db2.gz YLJLEGAUOCEZLP-AZUAARDMSA-N 1 1 475.037 3.347 20 0 JGADMO CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001305276711 1068478038 /nfs/dbraw/zinc/47/80/38/1068478038.db2.gz GMKASXJLLFWZDM-HXUWFJFHSA-N 1 1 484.645 3.141 20 0 JGADMO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305284161 1068485358 /nfs/dbraw/zinc/48/53/58/1068485358.db2.gz BNSPGCPLQPHLNX-VQTJNVASSA-N 1 1 457.619 3.459 20 0 JGADMO CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001305284792 1068485919 /nfs/dbraw/zinc/48/59/19/1068485919.db2.gz GPVDLYVGEAJVFE-NRFANRHFSA-N 1 1 459.660 3.329 20 0 JGADMO CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305284792 1068485925 /nfs/dbraw/zinc/48/59/25/1068485925.db2.gz GPVDLYVGEAJVFE-NRFANRHFSA-N 1 1 459.660 3.329 20 0 JGADMO CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305287840 1068490205 /nfs/dbraw/zinc/49/02/05/1068490205.db2.gz LASYWKJAIUWFDR-DFBJGRDBSA-N 1 1 485.608 3.164 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001303851693 1068490328 /nfs/dbraw/zinc/49/03/28/1068490328.db2.gz HLPXDYCUWKNKKK-FHWLQOOXSA-N 1 1 498.694 3.333 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001303851693 1068490333 /nfs/dbraw/zinc/49/03/33/1068490333.db2.gz HLPXDYCUWKNKKK-FHWLQOOXSA-N 1 1 498.694 3.333 20 0 JGADMO CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001305288940 1068491935 /nfs/dbraw/zinc/49/19/35/1068491935.db2.gz URLJGLBPBLVXCQ-ZJSXRUAMSA-N 1 1 482.673 3.325 20 0 JGADMO CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001305288935 1068492032 /nfs/dbraw/zinc/49/20/32/1068492032.db2.gz URLJGLBPBLVXCQ-QPPBQGQZSA-N 1 1 482.673 3.325 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cc(C2CC2)ccc1F ZINC001303855847 1068495777 /nfs/dbraw/zinc/49/57/77/1068495777.db2.gz XLJYSNJBGHKRSI-QGZVFWFLSA-N 1 1 492.665 3.264 20 0 JGADMO CC(C)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001303856030 1068496469 /nfs/dbraw/zinc/49/64/69/1068496469.db2.gz DFOWAMGCPFFLDB-LJQANCHMSA-N 1 1 494.681 3.422 20 0 JGADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@]3(CC=CCC3)C2)C1 ZINC001303856612 1068497035 /nfs/dbraw/zinc/49/70/35/1068497035.db2.gz YTPNZQWOAHIJMG-AWRGLXIESA-N 1 1 478.707 3.335 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001305293706 1068498330 /nfs/dbraw/zinc/49/83/30/1068498330.db2.gz LIEARWRAQHPKBY-DEOSSOPVSA-N 1 1 493.027 3.033 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001305293706 1068498333 /nfs/dbraw/zinc/49/83/33/1068498333.db2.gz LIEARWRAQHPKBY-DEOSSOPVSA-N 1 1 493.027 3.033 20 0 JGADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCC1(F)CCC1 ZINC001303859018 1068499962 /nfs/dbraw/zinc/49/99/62/1068499962.db2.gz HHWNHRWUHJEBCO-SJORKVTESA-N 1 1 484.667 3.115 20 0 JGADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001303864840 1068502143 /nfs/dbraw/zinc/50/21/43/1068502143.db2.gz IMZRHFBUANBOSV-HKUYNNGSSA-N 1 1 480.704 3.098 20 0 JGADMO CC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001305302093 1068511282 /nfs/dbraw/zinc/51/12/82/1068511282.db2.gz QOVLEEHHWOAPHZ-QHCPKHFHSA-N 1 1 458.010 3.205 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305309966 1068518912 /nfs/dbraw/zinc/51/89/12/1068518912.db2.gz CLMZZWJPZFBZJR-MHECFPHRSA-N 1 1 483.642 3.106 20 0 JGADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001303887590 1068525452 /nfs/dbraw/zinc/52/54/52/1068525452.db2.gz KJRASQRKQOOIJL-HCXYKTFWSA-N 1 1 493.649 3.299 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001305314763 1068528412 /nfs/dbraw/zinc/52/84/12/1068528412.db2.gz QHRYVWQSZJAWHS-LZCXECNNSA-N 1 1 470.662 3.314 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 ZINC001303897365 1068538497 /nfs/dbraw/zinc/53/84/97/1068538497.db2.gz INXQAQWFKWFZSU-OAQYLSRUSA-N 1 1 474.625 3.200 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC(C)(F)F ZINC001303897908 1068539418 /nfs/dbraw/zinc/53/94/18/1068539418.db2.gz MYODBODTSSLIJE-PXNSSMCTSA-N 1 1 494.562 3.345 20 0 JGADMO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCSCC2)CC1 ZINC001303898428 1068540580 /nfs/dbraw/zinc/54/05/80/1068540580.db2.gz PDENPROXUYZCGY-LJQANCHMSA-N 1 1 462.639 3.136 20 0 JGADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001303899948 1068542699 /nfs/dbraw/zinc/54/26/99/1068542699.db2.gz XJYSCMUCMITEMB-XQBPLPMBSA-N 1 1 493.649 3.445 20 0 JGADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCS(C)(=O)=O ZINC001303900117 1068543344 /nfs/dbraw/zinc/54/33/44/1068543344.db2.gz YGIMXMBMFBENRM-GOSISDBHSA-N 1 1 481.638 3.303 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001303904016 1068548086 /nfs/dbraw/zinc/54/80/86/1068548086.db2.gz VJKOGRHGAFZGJQ-JXQFQVJHSA-N 1 1 461.582 3.282 20 0 JGADMO CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303904292 1068548829 /nfs/dbraw/zinc/54/88/29/1068548829.db2.gz WEUZIAYKRLIXDA-KBMIEXCESA-N 1 1 485.608 3.383 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303907168 1068553743 /nfs/dbraw/zinc/55/37/43/1068553743.db2.gz RJIZOYJFRPCCTJ-IXFSTUDKSA-N 1 1 464.010 3.001 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303907572 1068554913 /nfs/dbraw/zinc/55/49/13/1068554913.db2.gz WNENZOZECMZLIQ-BTYIYWSLSA-N 1 1 463.007 3.231 20 0 JGADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303914088 1068564054 /nfs/dbraw/zinc/56/40/54/1068564054.db2.gz FAPSEKPULYYDDW-GERBCZOESA-N 1 1 478.037 3.389 20 0 JGADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001305335676 1068566912 /nfs/dbraw/zinc/56/69/12/1068566912.db2.gz RFYNYWXGAAVNEQ-VVZHRXSXSA-N 1 1 471.646 3.121 20 0 JGADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001303923635 1068577540 /nfs/dbraw/zinc/57/75/40/1068577540.db2.gz HDFTXEXDVHZMBZ-QZTJIDSGSA-N 1 1 479.622 3.055 20 0 JGADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC(N)=O)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001303924228 1068578762 /nfs/dbraw/zinc/57/87/62/1068578762.db2.gz KVWYXRSUIMQWSY-ROUUACIJSA-N 1 1 458.582 3.133 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001305347710 1068588378 /nfs/dbraw/zinc/58/83/78/1068588378.db2.gz NHGZYDGBGVXURC-CSGUBPAMSA-N 1 1 457.619 3.172 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)OC ZINC001305347714 1068588601 /nfs/dbraw/zinc/58/86/01/1068588601.db2.gz NHGZYDGBGVXURC-YDLSIGKMSA-N 1 1 457.619 3.172 20 0 JGADMO CC[C@H](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)OC ZINC001305348974 1068592112 /nfs/dbraw/zinc/59/21/12/1068592112.db2.gz FHGXNOOCGRTWPV-XUZZJYLKSA-N 1 1 497.688 3.172 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001305358753 1068610273 /nfs/dbraw/zinc/61/02/73/1068610273.db2.gz HXYQSWQRCTZNET-ZQRMPTRQSA-N 1 1 471.646 3.384 20 0 JGADMO CC[C@H](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)OC ZINC001305362637 1068617403 /nfs/dbraw/zinc/61/74/03/1068617403.db2.gz VMHZAIDXPWJVGB-FHWLQOOXSA-N 1 1 460.648 3.005 20 0 JGADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCOC)CC1)OC ZINC001305363102 1068618236 /nfs/dbraw/zinc/61/82/36/1068618236.db2.gz RMCBQMWTBANILL-ACRUOGEOSA-N 1 1 494.681 3.180 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CCS(=O)(=O)N(C)C ZINC001305372513 1068627507 /nfs/dbraw/zinc/62/75/07/1068627507.db2.gz WXTOFYHLQWKHMA-ONTIZHBOSA-N 1 1 476.691 3.172 20 0 JGADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001305373527 1068627980 /nfs/dbraw/zinc/62/79/80/1068627980.db2.gz FWJOETOJAYTZRB-DWLFOUALSA-N 1 1 475.659 3.261 20 0 JGADMO CC[C@H](C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305380964 1068632298 /nfs/dbraw/zinc/63/22/98/1068632298.db2.gz PHGFGSWCVHITPF-SLFFLAALSA-N 1 1 477.675 3.331 20 0 JGADMO CC[C@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001305401946 1068643615 /nfs/dbraw/zinc/64/36/15/1068643615.db2.gz SSGQDCVWNJFYMD-PMVMPFDFSA-N 1 1 473.687 3.370 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001305407977 1068646954 /nfs/dbraw/zinc/64/69/54/1068646954.db2.gz BHSMOKQTRHSPKL-HIUFNZKISA-N 1 1 460.667 3.176 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)SC ZINC001305413003 1068652055 /nfs/dbraw/zinc/65/20/55/1068652055.db2.gz SKVNRKZKBWDSEE-NLWGTHIKSA-N 1 1 450.697 3.312 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001305417289 1068654505 /nfs/dbraw/zinc/65/45/05/1068654505.db2.gz DCYZJVOLSBTQBN-UFYCRDLUSA-N 1 1 485.620 3.170 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001305422403 1068657585 /nfs/dbraw/zinc/65/75/85/1068657585.db2.gz QSKHWEKAVPDZNY-ANULTFPQSA-N 1 1 478.682 3.499 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001305422408 1068657633 /nfs/dbraw/zinc/65/76/33/1068657633.db2.gz QSKHWEKAVPDZNY-TUFLPTIASA-N 1 1 478.682 3.499 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001305423761 1068658894 /nfs/dbraw/zinc/65/88/94/1068658894.db2.gz APGNZDGRCSMNHZ-CVEARBPZSA-N 1 1 456.557 3.171 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001305425380 1068661344 /nfs/dbraw/zinc/66/13/44/1068661344.db2.gz IFPCGPKNKBCOLM-JQVVWYNYSA-N 1 1 455.603 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001305425380 1068661346 /nfs/dbraw/zinc/66/13/46/1068661346.db2.gz IFPCGPKNKBCOLM-JQVVWYNYSA-N 1 1 455.603 3.060 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305426571 1068664156 /nfs/dbraw/zinc/66/41/56/1068664156.db2.gz PLGAUESPTNYNJX-YADHBBJMSA-N 1 1 487.737 3.483 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001305429460 1068667801 /nfs/dbraw/zinc/66/78/01/1068667801.db2.gz MGXGLIIRHITIGC-IIBYNOLFSA-N 1 1 467.540 3.144 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001305429466 1068667894 /nfs/dbraw/zinc/66/78/94/1068667894.db2.gz MGXGLIIRHITIGC-KKSFZXQISA-N 1 1 467.540 3.144 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001305429849 1068668585 /nfs/dbraw/zinc/66/85/85/1068668585.db2.gz ORSZYSGBXRMPLO-GLDPYIMESA-N 1 1 464.655 3.348 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001305434028 1068670574 /nfs/dbraw/zinc/67/05/74/1068670574.db2.gz GJHPVCAEUHWWFW-FYSMJZIKSA-N 1 1 453.566 3.436 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001305435987 1068671879 /nfs/dbraw/zinc/67/18/79/1068671879.db2.gz RTJGFUMPIXZHDN-VQTJNVASSA-N 1 1 464.618 3.046 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001305438234 1068674006 /nfs/dbraw/zinc/67/40/06/1068674006.db2.gz SINZMWWBOZVNDM-WPFOTENUSA-N 1 1 454.663 3.471 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305442134 1068677007 /nfs/dbraw/zinc/67/70/07/1068677007.db2.gz ZXMNZMREEFGFGK-QFIPXVFZSA-N 1 1 487.737 3.294 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305442130 1068677031 /nfs/dbraw/zinc/67/70/31/1068677031.db2.gz ZXMNZMREEFGFGK-JOCHJYFZSA-N 1 1 487.737 3.294 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)Oc1ccccc1OC ZINC001305443039 1068678237 /nfs/dbraw/zinc/67/82/37/1068678237.db2.gz HVJQAFOGEUNIKS-ACRUOGEOSA-N 1 1 457.619 3.426 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305454878 1068694083 /nfs/dbraw/zinc/69/40/83/1068694083.db2.gz ASXSVVIBQCJKIY-AZUAARDMSA-N 1 1 495.594 3.392 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001305456570 1068696693 /nfs/dbraw/zinc/69/66/93/1068696693.db2.gz GKANPYMVWKKJNU-MSOLQXFVSA-N 1 1 460.696 3.205 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001305457398 1068698474 /nfs/dbraw/zinc/69/84/74/1068698474.db2.gz HDGMIZVYGFIAFP-YZIHRLCOSA-N 1 1 472.653 3.302 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001305459900 1068702378 /nfs/dbraw/zinc/70/23/78/1068702378.db2.gz UNXKQWPSMMOARJ-OAQYLSRUSA-N 1 1 481.689 3.128 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305459991 1068702661 /nfs/dbraw/zinc/70/26/61/1068702661.db2.gz REMPIWUJNTVFCM-UFYCRDLUSA-N 1 1 464.655 3.252 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001305460858 1068704056 /nfs/dbraw/zinc/70/40/56/1068704056.db2.gz UAYOFFYWZZVUDP-RLWLMLJZSA-N 1 1 472.653 3.446 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001305481968 1068718683 /nfs/dbraw/zinc/71/86/83/1068718683.db2.gz BAABYYJVIJWGSB-PCCBWWKXSA-N 1 1 473.641 3.400 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001305485193 1068721725 /nfs/dbraw/zinc/72/17/25/1068721725.db2.gz ISRGEUDTQGJPFP-PZJWPPBQSA-N 1 1 466.696 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001305487428 1068725030 /nfs/dbraw/zinc/72/50/30/1068725030.db2.gz NKZUUWICEOMIEF-HBMCJLEFSA-N 1 1 466.696 3.060 20 0 JGADMO CC[C@H](C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305487696 1068725642 /nfs/dbraw/zinc/72/56/42/1068725642.db2.gz PZODKYOKHJPVNJ-XUVXKRRUSA-N 1 1 460.598 3.220 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305502517 1068737471 /nfs/dbraw/zinc/73/74/71/1068737471.db2.gz UXWNBTGDZGDGNG-OAQYLSRUSA-N 1 1 468.646 3.255 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305502517 1068737480 /nfs/dbraw/zinc/73/74/80/1068737480.db2.gz UXWNBTGDZGDGNG-OAQYLSRUSA-N 1 1 468.646 3.255 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001305503537 1068738586 /nfs/dbraw/zinc/73/85/86/1068738586.db2.gz CYRPCWNRNFSEDG-HKBOAZHASA-N 1 1 460.646 3.058 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(F)c(F)c1 ZINC001305505850 1068741936 /nfs/dbraw/zinc/74/19/36/1068741936.db2.gz PRMKIDRVBLZQOL-GOSISDBHSA-N 1 1 460.573 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(F)c(F)c1 ZINC001305505850 1068741945 /nfs/dbraw/zinc/74/19/45/1068741945.db2.gz PRMKIDRVBLZQOL-GOSISDBHSA-N 1 1 460.573 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001305506195 1068742628 /nfs/dbraw/zinc/74/26/28/1068742628.db2.gz RQWYVNPDESQAKM-HXUWFJFHSA-N 1 1 483.661 3.179 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001305506195 1068742637 /nfs/dbraw/zinc/74/26/37/1068742637.db2.gz RQWYVNPDESQAKM-HXUWFJFHSA-N 1 1 483.661 3.179 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305510051 1068749804 /nfs/dbraw/zinc/74/98/04/1068749804.db2.gz IYVVVSLHDYSVRS-REWPJTCUSA-N 1 1 486.636 3.250 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305512493 1068755584 /nfs/dbraw/zinc/75/55/84/1068755584.db2.gz XVOUTTIGSLHOBV-PKTZIBPZSA-N 1 1 473.710 3.191 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001305513491 1068757853 /nfs/dbraw/zinc/75/78/53/1068757853.db2.gz JWPUUJSRTAXESS-QHCPKHFHSA-N 1 1 487.737 3.438 20 0 JGADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)/C=C\Sc2cc(F)ccc2F)CC1 ZINC001305515551 1068763115 /nfs/dbraw/zinc/76/31/15/1068763115.db2.gz FFXGTKKLXLSCKQ-SDQNTSPESA-N 1 1 459.562 3.462 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305519056 1068769160 /nfs/dbraw/zinc/76/91/60/1068769160.db2.gz PDEXHMATOWGQGH-FSSWDIPSSA-N 1 1 473.710 3.093 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305523065 1068775633 /nfs/dbraw/zinc/77/56/33/1068775633.db2.gz LWXRGPNHFXSIHJ-PCCBWWKXSA-N 1 1 497.688 3.105 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305528132 1068781938 /nfs/dbraw/zinc/78/19/38/1068781938.db2.gz JBFRGXRIHQLOBE-PXNSSMCTSA-N 1 1 461.680 3.038 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001305530726 1068785806 /nfs/dbraw/zinc/78/58/06/1068785806.db2.gz DBWLYNSSNKIOGI-HXUWFJFHSA-N 1 1 490.766 3.069 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001305530437 1068785844 /nfs/dbraw/zinc/78/58/44/1068785844.db2.gz BAOPPHAVNOVIMH-GPJFCIFZSA-N 1 1 451.681 3.460 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305530980 1068786372 /nfs/dbraw/zinc/78/63/72/1068786372.db2.gz BOZLBZPKXNGSLJ-IBGZPJMESA-N 1 1 466.609 3.488 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001305531071 1068786911 /nfs/dbraw/zinc/78/69/11/1068786911.db2.gz RXTSLQJIJPVIPJ-PMACEKPBSA-N 1 1 474.675 3.081 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305532554 1068790107 /nfs/dbraw/zinc/79/01/07/1068790107.db2.gz NSQPTDNXYDWZEQ-UXHICEINSA-N 1 1 477.723 3.152 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001305533396 1068792663 /nfs/dbraw/zinc/79/26/63/1068792663.db2.gz GMVQXRNGPLEMLH-VABKMULXSA-N 1 1 487.737 3.293 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305537282 1068800705 /nfs/dbraw/zinc/80/07/05/1068800705.db2.gz SAWCLJBXVAXJOD-TZRRMPRUSA-N 1 1 487.737 3.294 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCn1cc(Cl)cn1 ZINC001305538583 1068804625 /nfs/dbraw/zinc/80/46/25/1068804625.db2.gz MYDJPJIKSVYOCI-INIZCTEOSA-N 1 1 460.030 3.014 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CCCn1cc[nH+]c1C ZINC001305541175 1068811914 /nfs/dbraw/zinc/81/19/14/1068811914.db2.gz WWTPNHQDEXPTQL-GOSISDBHSA-N 1 1 453.566 3.375 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3OC)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305541628 1068813103 /nfs/dbraw/zinc/81/31/03/1068813103.db2.gz OXYJQUQVNDFABJ-OAQYLSRUSA-N 1 1 470.662 3.233 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3OC)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305541628 1068813114 /nfs/dbraw/zinc/81/31/14/1068813114.db2.gz OXYJQUQVNDFABJ-OAQYLSRUSA-N 1 1 470.662 3.233 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001305542081 1068813562 /nfs/dbraw/zinc/81/35/62/1068813562.db2.gz MJQIDDQSGQDWPF-GHTZIAJQSA-N 1 1 454.619 3.348 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305542324 1068814134 /nfs/dbraw/zinc/81/41/34/1068814134.db2.gz MYDWAFOYSFTRPD-ZWKOTPCHSA-N 1 1 486.608 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305542319 1068814158 /nfs/dbraw/zinc/81/41/58/1068814158.db2.gz MYDWAFOYSFTRPD-QZTJIDSGSA-N 1 1 486.608 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305542318 1068814302 /nfs/dbraw/zinc/81/43/02/1068814302.db2.gz MYDWAFOYSFTRPD-MSOLQXFVSA-N 1 1 486.608 3.253 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001305542892 1068816496 /nfs/dbraw/zinc/81/64/96/1068816496.db2.gz GPJIBFJYBCYKOC-VSKRKVRLSA-N 1 1 494.750 3.144 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC001305543628 1068818407 /nfs/dbraw/zinc/81/84/07/1068818407.db2.gz BQTJMKPCYVBJES-QNWVGRARSA-N 1 1 471.646 3.473 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1cccs1 ZINC001305544798 1068821788 /nfs/dbraw/zinc/82/17/88/1068821788.db2.gz RGIMGBBNFLKRQV-NJYVYQBISA-N 1 1 487.718 3.278 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CC=CCO1 ZINC001305545178 1068822330 /nfs/dbraw/zinc/82/23/30/1068822330.db2.gz VOOOTHRZFYPNSX-ISKFKSNPSA-N 1 1 452.647 3.391 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC(C)(C)c1ccccn1 ZINC001305545329 1068822767 /nfs/dbraw/zinc/82/27/67/1068822767.db2.gz VRSQXIUURZEKPI-GOTSBHOMSA-N 1 1 483.705 3.396 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001305545180 1068822815 /nfs/dbraw/zinc/82/28/15/1068822815.db2.gz VOOOTHRZFYPNSX-UPVQGACJSA-N 1 1 452.647 3.391 20 0 JGADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1Cc1cccc(C2OCCO2)c1 ZINC001305547021 1068826347 /nfs/dbraw/zinc/82/63/47/1068826347.db2.gz XIWHDOLHWRLFDG-SIKLNZKXSA-N 1 1 457.619 3.432 20 0 JGADMO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001305548888 1068828146 /nfs/dbraw/zinc/82/81/46/1068828146.db2.gz VTOXIDFYMYGGOB-IRFCIJBXSA-N 1 1 466.696 3.059 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001305548889 1068828480 /nfs/dbraw/zinc/82/84/80/1068828480.db2.gz VTOXIDFYMYGGOB-SVFBPWRDSA-N 1 1 466.696 3.059 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305556180 1068833663 /nfs/dbraw/zinc/83/36/63/1068833663.db2.gz QCSVNHWPWSETOK-IEIRFRATSA-N 1 1 457.619 3.225 20 0 JGADMO CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](CC)C1CC1 ZINC001305557853 1068835045 /nfs/dbraw/zinc/83/50/45/1068835045.db2.gz FDORBUFTRRFEQQ-IEBWSBKVSA-N 1 1 450.628 3.006 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@H](COC(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305558419 1068835826 /nfs/dbraw/zinc/83/58/26/1068835826.db2.gz BVEZICUWPASUAP-BURNTYAHSA-N 1 1 451.656 3.310 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](COC(C)C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001305563692 1068840146 /nfs/dbraw/zinc/84/01/46/1068840146.db2.gz ROPMMRSJRWWCMB-XUZZJYLKSA-N 1 1 471.646 3.302 20 0 JGADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001305568177 1068843538 /nfs/dbraw/zinc/84/35/38/1068843538.db2.gz VRFZKLLMINDWNM-YSIASYRMSA-N 1 1 462.664 3.371 20 0 JGADMO CC[C@H](C)c1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001305572375 1068846203 /nfs/dbraw/zinc/84/62/03/1068846203.db2.gz SOVDYGPIOKJTGO-MTQWCTHYSA-N 1 1 492.665 3.026 20 0 JGADMO CC[C@H](C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305574219 1068847294 /nfs/dbraw/zinc/84/72/94/1068847294.db2.gz QTTHDHRXFDSODH-JQHSSLGASA-N 1 1 464.565 3.255 20 0 JGADMO CC[C@@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305587020 1068856312 /nfs/dbraw/zinc/85/63/12/1068856312.db2.gz VHUHTDMRILUWJP-QZTJIDSGSA-N 1 1 453.591 3.045 20 0 JGADMO CC[C@H](C)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305587472 1068857129 /nfs/dbraw/zinc/85/71/29/1068857129.db2.gz QFMWJYYLOLBKPN-FDFHNCONSA-N 1 1 484.693 3.434 20 0 JGADMO CC[C@@H](C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305601996 1068864584 /nfs/dbraw/zinc/86/45/84/1068864584.db2.gz JAVZDAQZIMILHH-HXUWFJFHSA-N 1 1 453.635 3.500 20 0 JGADMO CC[C@@H](C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC[N@H+]1CCOCC1(C)C ZINC001305601996 1068864598 /nfs/dbraw/zinc/86/45/98/1068864598.db2.gz JAVZDAQZIMILHH-HXUWFJFHSA-N 1 1 453.635 3.500 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001305602793 1068866240 /nfs/dbraw/zinc/86/62/40/1068866240.db2.gz FTFYOEMUGOLGOH-FPOVZHCZSA-N 1 1 456.610 3.453 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001305603185 1068867039 /nfs/dbraw/zinc/86/70/39/1068867039.db2.gz IUEYKAFZQLUKTD-MDZRGWNJSA-N 1 1 450.990 3.386 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCS(C)(=O)=O ZINC001305603682 1068867876 /nfs/dbraw/zinc/86/78/76/1068867876.db2.gz ARTBVGMKYLIZLE-INIZCTEOSA-N 1 1 486.480 3.227 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001305604032 1068868653 /nfs/dbraw/zinc/86/86/53/1068868653.db2.gz AFKJNDRYIIQIAT-LJQANCHMSA-N 1 1 454.619 3.133 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 ZINC001305604235 1068869055 /nfs/dbraw/zinc/86/90/55/1068869055.db2.gz MNKTWTIFMPDUJV-HNNXBMFYSA-N 1 1 454.953 3.437 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS(=O)(=O)CC1 ZINC001305604148 1068869425 /nfs/dbraw/zinc/86/94/25/1068869425.db2.gz CFHNCXZTRCKBCB-IRXDYDNUSA-N 1 1 465.689 3.097 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001305604276 1068869977 /nfs/dbraw/zinc/86/99/77/1068869977.db2.gz CNJQIARDYUWKPA-JLTOFOAXSA-N 1 1 481.464 3.358 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001305604578 1068870158 /nfs/dbraw/zinc/87/01/58/1068870158.db2.gz NZYLGCQTHCYZID-RBUKOAKNSA-N 1 1 491.631 3.308 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001305604646 1068870532 /nfs/dbraw/zinc/87/05/32/1068870532.db2.gz BQCBALJSDXDYEC-YCRPNKLZSA-N 1 1 463.424 3.140 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001305605036 1068871223 /nfs/dbraw/zinc/87/12/23/1068871223.db2.gz DAZCVXJVDLHMPE-SLFFLAALSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001305605278 1068871275 /nfs/dbraw/zinc/87/12/75/1068871275.db2.gz DNPJWTQRISYSEE-CTNGQTDRSA-N 1 1 489.686 3.210 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001305605040 1068871587 /nfs/dbraw/zinc/87/15/87/1068871587.db2.gz DAZCVXJVDLHMPE-XUVXKRRUSA-N 1 1 472.609 3.489 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001305605545 1068872372 /nfs/dbraw/zinc/87/23/72/1068872372.db2.gz GITZKIFUTWJRIV-UWJYYQICSA-N 1 1 493.027 3.296 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001305605542 1068872404 /nfs/dbraw/zinc/87/24/04/1068872404.db2.gz GITZKIFUTWJRIV-UTKZUKDTSA-N 1 1 493.027 3.296 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001305606050 1068872767 /nfs/dbraw/zinc/87/27/67/1068872767.db2.gz KNVZXFWIBMZSQC-FPOVZHCZSA-N 1 1 484.645 3.188 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(F)(F)F ZINC001305606598 1068873869 /nfs/dbraw/zinc/87/38/69/1068873869.db2.gz NAMIBNFXEWWZER-HNNXBMFYSA-N 1 1 451.501 3.040 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001305606397 1068873906 /nfs/dbraw/zinc/87/39/06/1068873906.db2.gz HZIIUIMTPNDJBP-KRWDZBQOSA-N 1 1 483.082 3.094 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001305606429 1068873921 /nfs/dbraw/zinc/87/39/21/1068873921.db2.gz IELIYSGJFAOYIO-LJQANCHMSA-N 1 1 469.659 3.463 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001305606810 1068874799 /nfs/dbraw/zinc/87/47/99/1068874799.db2.gz VXKNMWWUUJTNOY-RBBKRZOGSA-N 1 1 479.633 3.311 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccccn2)CC1 ZINC001305607598 1068876740 /nfs/dbraw/zinc/87/67/40/1068876740.db2.gz QRNKADCPGNLRGT-HXUWFJFHSA-N 1 1 479.629 3.414 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001305607926 1068877493 /nfs/dbraw/zinc/87/74/93/1068877493.db2.gz NDMGUEKBMKOHFE-BZSNNMDCSA-N 1 1 463.026 3.469 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305608059 1068878034 /nfs/dbraw/zinc/87/80/34/1068878034.db2.gz RXBJKPHPYAVGMD-SJORKVTESA-N 1 1 482.551 3.477 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOCC2(CC2)C1 ZINC001305608776 1068880331 /nfs/dbraw/zinc/88/03/31/1068880331.db2.gz QWZXKUYNKYIAFG-MRXNPFEDSA-N 1 1 465.440 3.393 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 ZINC001305608767 1068880348 /nfs/dbraw/zinc/88/03/48/1068880348.db2.gz QSWQJIOGZABHDD-ZWKOTPCHSA-N 1 1 460.598 3.250 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001305609432 1068880884 /nfs/dbraw/zinc/88/08/84/1068880884.db2.gz DGNJHOUNGRNIHD-MOPGFXCFSA-N 1 1 451.619 3.130 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001305609286 1068881256 /nfs/dbraw/zinc/88/12/56/1068881256.db2.gz SGZMWLSEBGPFPY-RTBURBONSA-N 1 1 482.633 3.259 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001305609920 1068883339 /nfs/dbraw/zinc/88/33/39/1068883339.db2.gz XFFKALILLZVVPB-HXOBKFHXSA-N 1 1 496.077 3.352 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001305609930 1068883369 /nfs/dbraw/zinc/88/33/69/1068883369.db2.gz XFFKALILLZVVPB-UZUQRXQVSA-N 1 1 496.077 3.352 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001305610188 1068883909 /nfs/dbraw/zinc/88/39/09/1068883909.db2.gz YHNSMEUCWGFKCH-NRFANRHFSA-N 1 1 499.704 3.490 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001305610101 1068883979 /nfs/dbraw/zinc/88/39/79/1068883979.db2.gz XYXOFSQXRSMXNK-VLCRHTCISA-N 1 1 475.659 3.227 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001305610057 1068884147 /nfs/dbraw/zinc/88/41/47/1068884147.db2.gz YETMDXNMNZPKTO-ICSRJNTNSA-N 1 1 459.591 3.034 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001305610341 1068884657 /nfs/dbraw/zinc/88/46/57/1068884657.db2.gz GWQFGIUVVFHFNR-LJQANCHMSA-N 1 1 467.593 3.495 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001305611292 1068885357 /nfs/dbraw/zinc/88/53/57/1068885357.db2.gz LDEPCDRWASGIKE-QFIPXVFZSA-N 1 1 477.657 3.214 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001305611395 1068886179 /nfs/dbraw/zinc/88/61/79/1068886179.db2.gz ZREWBENTDLFWQH-HXUWFJFHSA-N 1 1 486.661 3.387 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001305611901 1068886620 /nfs/dbraw/zinc/88/66/20/1068886620.db2.gz OLSRZAODYJNBHN-CLOONOSVSA-N 1 1 457.619 3.458 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001305613427 1068889086 /nfs/dbraw/zinc/88/90/86/1068889086.db2.gz ILVXTSGSXRYBAX-ICSRJNTNSA-N 1 1 468.606 3.463 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001305613433 1068889134 /nfs/dbraw/zinc/88/91/34/1068889134.db2.gz ILVXTSGSXRYBAX-UYAOXDASSA-N 1 1 468.606 3.463 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001305613309 1068889337 /nfs/dbraw/zinc/88/93/37/1068889337.db2.gz FGOVEXJYUZPSEB-UNMCSNQZSA-N 1 1 460.667 3.131 20 0 JGADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(CCc2cccs2)CC1 ZINC001305613955 1068890509 /nfs/dbraw/zinc/89/05/09/1068890509.db2.gz YFRMCKWMNSHOAZ-HXUWFJFHSA-N 1 1 453.660 3.497 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(CCc2cccs2)CC1 ZINC001305613955 1068890516 /nfs/dbraw/zinc/89/05/16/1068890516.db2.gz YFRMCKWMNSHOAZ-HXUWFJFHSA-N 1 1 453.660 3.497 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001305614071 1068890683 /nfs/dbraw/zinc/89/06/83/1068890683.db2.gz JBCUUXDIUUXJIX-RTWAWAEBSA-N 1 1 470.666 3.045 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001305614548 1068891836 /nfs/dbraw/zinc/89/18/36/1068891836.db2.gz PANQNSNCNPFDKL-XLIONFOSSA-N 1 1 451.575 3.045 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001305614915 1068891961 /nfs/dbraw/zinc/89/19/61/1068891961.db2.gz MYNRWEDRZJGUCI-JWNTYJGQSA-N 1 1 472.609 3.049 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001305615084 1068892842 /nfs/dbraw/zinc/89/28/42/1068892842.db2.gz SFZCQCIWJPSCOI-QFIPXVFZSA-N 1 1 492.672 3.080 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001305615397 1068893798 /nfs/dbraw/zinc/89/37/98/1068893798.db2.gz VHZVGYWAEFXIOD-MHECFPHRSA-N 1 1 470.021 3.303 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001305615922 1068894309 /nfs/dbraw/zinc/89/43/09/1068894309.db2.gz RSRMPPUOKVSXLH-UXHICEINSA-N 1 1 493.697 3.084 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 ZINC001305616182 1068895159 /nfs/dbraw/zinc/89/51/59/1068895159.db2.gz SXTHIKIKCOOHMV-SFTDATJTSA-N 1 1 488.652 3.372 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001305616623 1068895904 /nfs/dbraw/zinc/89/59/04/1068895904.db2.gz HNBAIROLUVVDLQ-XUVXKRRUSA-N 1 1 494.681 3.321 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001305616322 1068896001 /nfs/dbraw/zinc/89/60/01/1068896001.db2.gz GAWVGGCVGAPXSV-SFHVURJKSA-N 1 1 471.650 3.139 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 ZINC001305616789 1068896424 /nfs/dbraw/zinc/89/64/24/1068896424.db2.gz IGPVDZPUFIJWRG-RTBURBONSA-N 1 1 469.721 3.167 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001305616759 1068896592 /nfs/dbraw/zinc/89/65/92/1068896592.db2.gz DUOIJFKWBKECBV-IBGZPJMESA-N 1 1 481.670 3.455 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001305617014 1068897212 /nfs/dbraw/zinc/89/72/12/1068897212.db2.gz FVABLUNADDTNPH-TZIWHRDSSA-N 1 1 453.635 3.498 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305616997 1068897308 /nfs/dbraw/zinc/89/73/08/1068897308.db2.gz FTOWUBXZBMOWRQ-MOPGFXCFSA-N 1 1 492.594 3.320 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305617000 1068897400 /nfs/dbraw/zinc/89/74/00/1068897400.db2.gz FTOWUBXZBMOWRQ-RTBURBONSA-N 1 1 492.594 3.320 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1C ZINC001305617113 1068897997 /nfs/dbraw/zinc/89/79/97/1068897997.db2.gz KPHYXDNTPDSEJX-HTAPYJJXSA-N 1 1 453.591 3.199 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001305617647 1068899045 /nfs/dbraw/zinc/89/90/45/1068899045.db2.gz CBRKBOKDQXNASK-AKIFATBCSA-N 1 1 452.647 3.241 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001305617780 1068899513 /nfs/dbraw/zinc/89/95/13/1068899513.db2.gz ANZHQQXYSQLCKT-NHCUHLMSSA-N 1 1 458.676 3.130 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001305618422 1068900991 /nfs/dbraw/zinc/90/09/91/1068900991.db2.gz FRELMMQVSGAXDC-PZJWPPBQSA-N 1 1 472.659 3.025 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001305618420 1068901098 /nfs/dbraw/zinc/90/10/98/1068901098.db2.gz FRELMMQVSGAXDC-FPOVZHCZSA-N 1 1 472.659 3.025 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001305618757 1068902159 /nfs/dbraw/zinc/90/21/59/1068902159.db2.gz GJVUPXVEDALKDS-VXKWHMMOSA-N 1 1 471.646 3.404 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001305619175 1068902782 /nfs/dbraw/zinc/90/27/82/1068902782.db2.gz FIDQWDWCPLIJSR-VXKWHMMOSA-N 1 1 468.646 3.405 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305619282 1068903396 /nfs/dbraw/zinc/90/33/96/1068903396.db2.gz GLBUWTKUOZQPGI-LZCXECNNSA-N 1 1 492.709 3.180 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(F)F)CC1 ZINC001305619888 1068904074 /nfs/dbraw/zinc/90/40/74/1068904074.db2.gz JZHCFRLJOPKCBE-LJQANCHMSA-N 1 1 459.589 3.399 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001305619976 1068904241 /nfs/dbraw/zinc/90/42/41/1068904241.db2.gz KIRQBBGBNCJZGC-RTWAWAEBSA-N 1 1 454.619 3.015 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001305620140 1068905053 /nfs/dbraw/zinc/90/50/53/1068905053.db2.gz QDNAGVHTIULWSK-MRXNPFEDSA-N 1 1 466.615 3.341 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001305620509 1068905374 /nfs/dbraw/zinc/90/53/74/1068905374.db2.gz WOOUMDIMRSZPKI-QZNHQXDQSA-N 1 1 470.662 3.404 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001305620324 1068905696 /nfs/dbraw/zinc/90/56/96/1068905696.db2.gz JBPWHRPRIPKSRU-TYPHKJRUSA-N 1 1 491.681 3.185 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001305620505 1068905725 /nfs/dbraw/zinc/90/57/25/1068905725.db2.gz LONOPXSVBKPUCH-PMACEKPBSA-N 1 1 473.691 3.076 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001305621076 1068906832 /nfs/dbraw/zinc/90/68/32/1068906832.db2.gz VFLRUQHZIQYYCJ-IBGZPJMESA-N 1 1 483.690 3.098 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001305621314 1068907524 /nfs/dbraw/zinc/90/75/24/1068907524.db2.gz YRGNTYGXOCARQF-QGZVFWFLSA-N 1 1 462.589 3.325 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001305621508 1068908079 /nfs/dbraw/zinc/90/80/79/1068908079.db2.gz ZNPVPDBBHQVZOO-WOJBJXKFSA-N 1 1 476.616 3.178 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305623070 1068912476 /nfs/dbraw/zinc/91/24/76/1068912476.db2.gz WJLXTJJHQXSABX-IFMALSPDSA-N 1 1 477.675 3.299 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001305623504 1068914328 /nfs/dbraw/zinc/91/43/28/1068914328.db2.gz VIIYBWPIKXDOMA-OMQSBVIBSA-N 1 1 471.712 3.185 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001305623503 1068914434 /nfs/dbraw/zinc/91/44/34/1068914434.db2.gz VIIYBWPIKXDOMA-CENDIDJXSA-N 1 1 471.712 3.185 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001305623425 1068914495 /nfs/dbraw/zinc/91/44/95/1068914495.db2.gz UDZKXOMPBMXQKJ-RNHFSVANSA-N 1 1 492.665 3.076 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001305623686 1068914958 /nfs/dbraw/zinc/91/49/58/1068914958.db2.gz VNNSWBIDLMVMHT-SJBKTWHCSA-N 1 1 470.618 3.139 20 0 JGADMO CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1 ZINC001305623687 1068915927 /nfs/dbraw/zinc/91/59/27/1068915927.db2.gz NJRUIDGCHNJMRJ-LEWJYISDSA-N 1 1 491.640 3.074 20 0 JGADMO CC[C@H](C)[N@@H+](C)CCn1c(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)nnc1C(C)(C)C ZINC001305623974 1068916413 /nfs/dbraw/zinc/91/64/13/1068916413.db2.gz XXILMQGJBLNFBI-IPMKNSEASA-N 1 1 494.681 3.056 20 0 JGADMO CC[C@@H](C)[N@@H+](C)CCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305624168 1068917143 /nfs/dbraw/zinc/91/71/43/1068917143.db2.gz ZXFJQDMUMJBCGN-TZIWHRDSSA-N 1 1 459.660 3.102 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001305629259 1068931301 /nfs/dbraw/zinc/93/13/01/1068931301.db2.gz MOXKAMWHXFAOBV-SJLPKXTDSA-N 1 1 492.466 3.025 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001305636180 1068946208 /nfs/dbraw/zinc/94/62/08/1068946208.db2.gz UQSANMMWDSATGP-LJQANCHMSA-N 1 1 467.593 3.050 20 0 JGADMO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001305639881 1068954834 /nfs/dbraw/zinc/95/48/34/1068954834.db2.gz XPWUBYPRQMDKCI-QUCCMNQESA-N 1 1 460.648 3.208 20 0 JGADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305644698 1068969208 /nfs/dbraw/zinc/96/92/08/1068969208.db2.gz HQDQJIHFDSBJMG-JTHBVZDNSA-N 1 1 481.689 3.022 20 0 JGADMO CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305645899 1068974357 /nfs/dbraw/zinc/97/43/57/1068974357.db2.gz VOBLPZJQKZEVCV-VWPQPMDRSA-N 1 1 468.646 3.050 20 0 JGADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001305651408 1068989012 /nfs/dbraw/zinc/98/90/12/1068989012.db2.gz ZNVDGTMPHFXWIW-FGZHOGPDSA-N 1 1 475.726 3.168 20 0 JGADMO CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001305654849 1068993077 /nfs/dbraw/zinc/99/30/77/1068993077.db2.gz KMVRIIZNPATCGL-OAQYLSRUSA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001305654849 1068993087 /nfs/dbraw/zinc/99/30/87/1068993087.db2.gz KMVRIIZNPATCGL-OAQYLSRUSA-N 1 1 470.662 3.282 20 0 JGADMO CC[C@H](c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001305656849 1068995908 /nfs/dbraw/zinc/99/59/08/1068995908.db2.gz GLSZYJFLBHFEFQ-CTNGQTDRSA-N 1 1 470.643 3.150 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(F)(F)F)c1ccccc1 ZINC001305658745 1068998937 /nfs/dbraw/zinc/99/89/37/1068998937.db2.gz GDLZUGTXQAVYSO-UIFIKXQLSA-N 1 1 478.563 3.371 20 0 JGADMO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001305660114 1069000697 /nfs/dbraw/zinc/00/06/97/1069000697.db2.gz KOARAYZHWLTXAA-VWLOTQADSA-N 1 1 495.716 3.056 20 0 JGADMO CC[C@H](c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001305667250 1069010875 /nfs/dbraw/zinc/01/08/75/1069010875.db2.gz WTMKYYXEHOYLNC-OZXSUGGESA-N 1 1 454.663 3.461 20 0 JGADMO CC[C@@H](c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H](F)COC)c1ccccc1 ZINC001305668209 1069011346 /nfs/dbraw/zinc/01/13/46/1069011346.db2.gz UOHSOLQEQBVNPW-YTFSRNRJSA-N 1 1 458.626 3.021 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305669249 1069013841 /nfs/dbraw/zinc/01/38/41/1069013841.db2.gz DBZZYLGGRZESEZ-ISKFKSNPSA-N 1 1 482.673 3.283 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001305669249 1069013853 /nfs/dbraw/zinc/01/38/53/1069013853.db2.gz DBZZYLGGRZESEZ-ISKFKSNPSA-N 1 1 482.673 3.283 20 0 JGADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001305670529 1069016609 /nfs/dbraw/zinc/01/66/09/1069016609.db2.gz KTZNGFWJTHQZKY-RDGATRHJSA-N 1 1 482.673 3.380 20 0 JGADMO CC[C@@H](c1nnc(N2CCN(C(=O)NC)CC2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001305670830 1069017255 /nfs/dbraw/zinc/01/72/55/1069017255.db2.gz CWEYWYOXADZYGF-JOCHJYFZSA-N 1 1 453.635 3.156 20 0 JGADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001305673223 1069023641 /nfs/dbraw/zinc/02/36/41/1069023641.db2.gz YGAAQZXXWQZQGE-IFMALSPDSA-N 1 1 459.660 3.175 20 0 JGADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1(C(N)=O)CCCC1)c1ccccc1 ZINC001305679390 1069037602 /nfs/dbraw/zinc/03/76/02/1069037602.db2.gz YAJRAJARQANIIS-IFMALSPDSA-N 1 1 468.646 3.023 20 0 JGADMO CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@@H+]1CC=CCC1)c1ccccc1 ZINC001305679579 1069037692 /nfs/dbraw/zinc/03/76/92/1069037692.db2.gz YKTOCNBVPKWXHP-QHCPKHFHSA-N 1 1 450.631 3.387 20 0 JGADMO CC[C@@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001305686974 1069048578 /nfs/dbraw/zinc/04/85/78/1069048578.db2.gz VBGNTZROLZINPC-GMKZXUHWSA-N 1 1 483.657 3.445 20 0 JGADMO CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001305694302 1069065552 /nfs/dbraw/zinc/06/55/52/1069065552.db2.gz CKXHNVYSUCLJGG-QFIPXVFZSA-N 1 1 473.666 3.397 20 0 JGADMO CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001305697170 1069072693 /nfs/dbraw/zinc/07/26/93/1069072693.db2.gz UICPZCYBBUDIBU-FPOVZHCZSA-N 1 1 462.683 3.061 20 0 JGADMO CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001305702471 1069084736 /nfs/dbraw/zinc/08/47/36/1069084736.db2.gz MOYAGOVITAGBJZ-YGOYIFOWSA-N 1 1 474.694 3.376 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccco2)C1)[NH+]1CCOCC1 ZINC001305705574 1069093747 /nfs/dbraw/zinc/09/37/47/1069093747.db2.gz LAWUNNODBAZACG-RTWAWAEBSA-N 1 1 472.634 3.140 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccco2)C1)[NH+]1CCOCC1 ZINC001305705575 1069093991 /nfs/dbraw/zinc/09/39/91/1069093991.db2.gz LAWUNNODBAZACG-SFTDATJTSA-N 1 1 472.634 3.140 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001305707111 1069097513 /nfs/dbraw/zinc/09/75/13/1069097513.db2.gz QDXPQRVVULDANR-BHIYHBOVSA-N 1 1 488.599 3.188 20 0 JGADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](SC)C1)[NH+]1CCOCC1 ZINC001305708480 1069100463 /nfs/dbraw/zinc/10/04/63/1069100463.db2.gz WYZHFTMDKOIZQD-RTWAWAEBSA-N 1 1 480.723 3.275 20 0 JGADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001305708664 1069101897 /nfs/dbraw/zinc/10/18/97/1069101897.db2.gz XTGQPAOAKQLJTR-HXUWFJFHSA-N 1 1 470.666 3.212 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1Cc1cnn(C)c1 ZINC001305721164 1069131006 /nfs/dbraw/zinc/13/10/06/1069131006.db2.gz GXLBBJNXRDJGEN-HSZRJFAPSA-N 1 1 478.645 3.079 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1CC[NH+]1CCSCC1 ZINC001305721924 1069132425 /nfs/dbraw/zinc/13/24/25/1069132425.db2.gz BMHZBMOKIRNNTE-UHFFFAOYSA-N 1 1 466.602 3.160 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305724102 1069138175 /nfs/dbraw/zinc/13/81/75/1069138175.db2.gz QLJQHHXZJPEERA-UHFFFAOYSA-N 1 1 491.631 3.137 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H]1CCC[N@H+]1CC ZINC001305724729 1069139843 /nfs/dbraw/zinc/13/98/43/1069139843.db2.gz KWAQGLRKWPWNFK-MRXNPFEDSA-N 1 1 486.646 3.028 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)on2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305727654 1069146527 /nfs/dbraw/zinc/14/65/27/1069146527.db2.gz QODVSVNEOVITJB-ROUUACIJSA-N 1 1 475.638 3.017 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305728536 1069148671 /nfs/dbraw/zinc/14/86/71/1069148671.db2.gz QRQRLSYRDJFJAV-ZVDOUQERSA-N 1 1 478.682 3.090 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305728536 1069148674 /nfs/dbraw/zinc/14/86/74/1069148674.db2.gz QRQRLSYRDJFJAV-ZVDOUQERSA-N 1 1 478.682 3.090 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001305735157 1069155246 /nfs/dbraw/zinc/15/52/46/1069155246.db2.gz KUMPKTJJQZJMFW-CEMLEFRQSA-N 1 1 487.693 3.099 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001305735162 1069155296 /nfs/dbraw/zinc/15/52/96/1069155296.db2.gz KUMPKTJJQZJMFW-KSEOMHKRSA-N 1 1 487.693 3.099 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCC(C)C ZINC001305735464 1069156588 /nfs/dbraw/zinc/15/65/88/1069156588.db2.gz HQMUZIDKYZRRKN-NZQKXSOJSA-N 1 1 489.709 3.012 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCc1c(C)cccc1C ZINC001305736099 1069157832 /nfs/dbraw/zinc/15/78/32/1069157832.db2.gz NHKBUJHKUQGJGI-QPPBQGQZSA-N 1 1 482.673 3.213 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H](c1cccnc1)C(C)C ZINC001305736442 1069158336 /nfs/dbraw/zinc/15/83/36/1069158336.db2.gz PXCXMWNCYHRJPZ-NKKJXINNSA-N 1 1 497.688 3.188 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001305736445 1069158357 /nfs/dbraw/zinc/15/83/57/1069158357.db2.gz PXCXMWNCYHRJPZ-ZTCOLXNVSA-N 1 1 497.688 3.188 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1csc(C)c1 ZINC001305739013 1069165639 /nfs/dbraw/zinc/16/56/39/1069165639.db2.gz DUWODEMPKYRVTD-PZJWPPBQSA-N 1 1 474.675 3.162 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccc(N(CC)CC)nc1 ZINC001305739163 1069167148 /nfs/dbraw/zinc/16/71/48/1069167148.db2.gz JPONSEIYMNNFSD-UGKGYDQZSA-N 1 1 482.677 3.159 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305740365 1069170492 /nfs/dbraw/zinc/17/04/92/1069170492.db2.gz HQCOVBZPSQVVTD-IBGZPJMESA-N 1 1 486.661 3.347 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305741663 1069172364 /nfs/dbraw/zinc/17/23/64/1069172364.db2.gz KJVJUHGWNUXGSG-QGZVKYPTSA-N 1 1 460.667 3.177 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742025 1069175451 /nfs/dbraw/zinc/17/54/51/1069175451.db2.gz UGGYDZJSYJTLAO-JKSUJKDBSA-N 1 1 476.695 3.313 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCn1nc(C)cc1C ZINC001305743751 1069181141 /nfs/dbraw/zinc/18/11/41/1069181141.db2.gz YLXOSLXHHITVDJ-UXHICEINSA-N 1 1 458.655 3.019 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(C)cc1C ZINC001305743827 1069181154 /nfs/dbraw/zinc/18/11/54/1069181154.db2.gz SYOSMLGJEJOEOH-ZJSXRUAMSA-N 1 1 482.673 3.409 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCCn1nc(C)cc1C ZINC001305743752 1069181201 /nfs/dbraw/zinc/18/12/01/1069181201.db2.gz YLXOSLXHHITVDJ-VQTJNVASSA-N 1 1 458.655 3.019 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305744101 1069182478 /nfs/dbraw/zinc/18/24/78/1069182478.db2.gz ZVJGBMPAASRPGK-GBESFXJTSA-N 1 1 456.635 3.217 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc([C@H](C)O)cc1 ZINC001305744098 1069182615 /nfs/dbraw/zinc/18/26/15/1069182615.db2.gz ZVJGBMPAASRPGK-FHWLQOOXSA-N 1 1 456.635 3.217 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305744735 1069184451 /nfs/dbraw/zinc/18/44/51/1069184451.db2.gz XSJAJFJPKMHUPT-JAXLGGSGSA-N 1 1 474.694 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CCCC[NH+]1CCOCC1 ZINC001305746141 1069188042 /nfs/dbraw/zinc/18/80/42/1069188042.db2.gz ZCLTUJFCDDQYLW-UNMCSNQZSA-N 1 1 460.667 3.468 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC(C)(C)O ZINC001305748337 1069192836 /nfs/dbraw/zinc/19/28/36/1069192836.db2.gz GQLGTYUKVFMHQB-IBGZPJMESA-N 1 1 456.635 3.068 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305749463 1069193727 /nfs/dbraw/zinc/19/37/27/1069193727.db2.gz AVYFVDZGZDPRDW-KRWDZBQOSA-N 1 1 459.664 3.379 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCc1ccccc1 ZINC001305749633 1069194409 /nfs/dbraw/zinc/19/44/09/1069194409.db2.gz VHFJDGXKAYDBAD-AREMUKBSSA-N 1 1 468.646 3.130 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305752229 1069199233 /nfs/dbraw/zinc/19/92/33/1069199233.db2.gz OELOELSERSXNRE-IRLDBZIGSA-N 1 1 460.667 3.324 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001305754415 1069205045 /nfs/dbraw/zinc/20/50/45/1069205045.db2.gz DJIOAXHFZFMRKS-XLIONFOSSA-N 1 1 491.681 3.125 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)c1cccc(C)c1 ZINC001305755990 1069209025 /nfs/dbraw/zinc/20/90/25/1069209025.db2.gz QLBFAQQEWMZTPU-VXKWHMMOSA-N 1 1 482.673 3.467 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305761504 1069228430 /nfs/dbraw/zinc/22/84/30/1069228430.db2.gz KVSPIKCCOUPXSO-OALUTQOASA-N 1 1 486.636 3.428 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305761754 1069228769 /nfs/dbraw/zinc/22/87/69/1069228769.db2.gz SLMQAFWOXBJZLS-YADARESESA-N 1 1 458.607 3.099 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305767364 1069238620 /nfs/dbraw/zinc/23/86/20/1069238620.db2.gz OYJRTDHYUBIPMR-QHCPKHFHSA-N 1 1 482.673 3.438 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305776305 1069259648 /nfs/dbraw/zinc/25/96/48/1069259648.db2.gz SVDAEOMZGRPHOX-GHTZIAJQSA-N 1 1 456.639 3.003 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCn1ccnc1C ZINC001305776577 1069260554 /nfs/dbraw/zinc/26/05/54/1069260554.db2.gz OIBTWKQIGITXFJ-UHFFFAOYSA-N 1 1 478.645 3.114 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(C)c3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001305780884 1069272125 /nfs/dbraw/zinc/27/21/25/1069272125.db2.gz GRJRZCCCBXWWNK-FQEVSTJZSA-N 1 1 467.662 3.314 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1nccn1C(F)F ZINC001305785247 1069284713 /nfs/dbraw/zinc/28/47/13/1069284713.db2.gz JPQBUFQIIIGTKE-MRXNPFEDSA-N 1 1 478.592 3.147 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001305785796 1069287452 /nfs/dbraw/zinc/28/74/52/1069287452.db2.gz LPLLDZMPULZNQO-UZUQRXQVSA-N 1 1 496.578 3.177 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001305785807 1069288583 /nfs/dbraw/zinc/28/85/83/1069288583.db2.gz LXYALKWGWKKIOD-QGZVFWFLSA-N 1 1 470.618 3.283 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC)[C@H](C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305786142 1069289046 /nfs/dbraw/zinc/28/90/46/1069289046.db2.gz RCSBTMNBYTZLMU-DENIHFKCSA-N 1 1 455.651 3.030 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC)[C@H](C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305786143 1069289157 /nfs/dbraw/zinc/28/91/57/1069289157.db2.gz RCSBTMNBYTZLMU-KNQAVFIVSA-N 1 1 455.651 3.030 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccccc1COC ZINC001305786415 1069290045 /nfs/dbraw/zinc/29/00/45/1069290045.db2.gz TUPIOQXHQBITTR-FQEVSTJZSA-N 1 1 498.672 3.081 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1ccc(F)c(COC)c1 ZINC001305786607 1069290742 /nfs/dbraw/zinc/29/07/42/1069290742.db2.gz WBJMJZUURGQEEP-KRWDZBQOSA-N 1 1 460.598 3.061 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@]1(O)CCCC1(C)C ZINC001305786596 1069290844 /nfs/dbraw/zinc/29/08/44/1069290844.db2.gz WROSUFHQYQLABY-AFMDSPMNSA-N 1 1 474.694 3.448 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H]1CCC(F)(F)C1 ZINC001305786922 1069291833 /nfs/dbraw/zinc/29/18/33/1069291833.db2.gz ZGVBCMGECAYKAP-MSOLQXFVSA-N 1 1 482.620 3.321 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC1(C)CCOCC1 ZINC001305786886 1069291868 /nfs/dbraw/zinc/29/18/68/1069291868.db2.gz CYXYKNQLNLROJF-UHFFFAOYSA-N 1 1 474.675 3.397 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC)[C@@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305786930 1069292051 /nfs/dbraw/zinc/29/20/51/1069292051.db2.gz ZJSRTTPPIGYLMY-SIKLNZKXSA-N 1 1 461.699 3.237 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001305787075 1069293112 /nfs/dbraw/zinc/29/31/12/1069293112.db2.gz DVKFFGCFBWGLNR-MHECFPHRSA-N 1 1 474.675 3.131 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1cc(F)cc(OC)c1 ZINC001305788399 1069296727 /nfs/dbraw/zinc/29/67/27/1069296727.db2.gz KPRFACHLNNKGHX-HXUWFJFHSA-N 1 1 458.582 3.067 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001305788601 1069297538 /nfs/dbraw/zinc/29/75/38/1069297538.db2.gz YGRVCZGPVXLQNV-UNMCSNQZSA-N 1 1 490.693 3.235 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305789954 1069300699 /nfs/dbraw/zinc/30/06/99/1069300699.db2.gz GORCAJPNEBWDER-IRXDYDNUSA-N 1 1 474.572 3.084 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305789957 1069300872 /nfs/dbraw/zinc/30/08/72/1069300872.db2.gz GORCAJPNEBWDER-SJORKVTESA-N 1 1 474.572 3.084 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001305790228 1069301441 /nfs/dbraw/zinc/30/14/41/1069301441.db2.gz UGTXVFWWIAVABG-REWPJTCUSA-N 1 1 467.662 3.396 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001305792091 1069304956 /nfs/dbraw/zinc/30/49/56/1069304956.db2.gz QMKURJYPENQNNZ-FGZHOGPDSA-N 1 1 472.609 3.398 20 0 JGADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305792352 1069306233 /nfs/dbraw/zinc/30/62/33/1069306233.db2.gz AXNQCZGMUKKPJQ-SFTDATJTSA-N 1 1 472.634 3.488 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)Nc4ccccc4[C@@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164401514 718857641 /nfs/dbraw/zinc/85/76/41/718857641.db2.gz FZQGGMLHZHSGRE-HOJAQTOUSA-N 1 1 477.609 3.053 20 0 JGADMO CCOC(=O)c1nc2n(n1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164616048 719006001 /nfs/dbraw/zinc/00/60/01/719006001.db2.gz KFLZXEMQCDEWLM-UHFFFAOYSA-N 1 1 455.588 3.082 20 0 JGADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164630105 719092127 /nfs/dbraw/zinc/09/21/27/719092127.db2.gz VIMCOEOHRBCUOL-CRAIPNDOSA-N 1 1 456.946 3.028 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)C1=O ZINC001164634721 719271222 /nfs/dbraw/zinc/27/12/22/719271222.db2.gz MSCPMMGHCMMWFP-UHFFFAOYSA-N 1 1 451.596 3.118 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)C1=O ZINC001164634721 719271226 /nfs/dbraw/zinc/27/12/26/719271226.db2.gz MSCPMMGHCMMWFP-UHFFFAOYSA-N 1 1 451.596 3.118 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)C1=O ZINC001164639176 719279450 /nfs/dbraw/zinc/27/94/50/719279450.db2.gz JENQROYPNCWRRF-UHFFFAOYSA-N 1 1 469.586 3.257 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)C1=O ZINC001164639176 719279456 /nfs/dbraw/zinc/27/94/56/719279456.db2.gz JENQROYPNCWRRF-UHFFFAOYSA-N 1 1 469.586 3.257 20 0 JGADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(COC)nc4scc(-c5ccccc5)c43)CC2)C1=O ZINC001164644940 719282046 /nfs/dbraw/zinc/28/20/46/719282046.db2.gz XHABPBGTCOIFDF-UHFFFAOYSA-N 1 1 495.649 3.264 20 0 JGADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(COC)nc4scc(-c5ccccc5)c43)CC2)C1=O ZINC001164644940 719282049 /nfs/dbraw/zinc/28/20/49/719282049.db2.gz XHABPBGTCOIFDF-UHFFFAOYSA-N 1 1 495.649 3.264 20 0 JGADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc2N1C1CCCC1 ZINC001164650466 719311004 /nfs/dbraw/zinc/31/10/04/719311004.db2.gz YMTMZBFROAFALW-OAQYLSRUSA-N 1 1 480.661 3.382 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCc4onc(COCC(=O)N(C)C)c4C3)c2c1C ZINC001164662794 719341702 /nfs/dbraw/zinc/34/17/02/719341702.db2.gz SNFYFWPDFAMXPT-UHFFFAOYSA-N 1 1 498.653 3.450 20 0 JGADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4nc(Cl)ccc4F)C3)C2)cc[nH+]1 ZINC001164663390 719357225 /nfs/dbraw/zinc/35/72/25/719357225.db2.gz DPSOUOIZKIZCEM-HXUWFJFHSA-N 1 1 470.927 3.398 20 0 JGADMO C[N@H+]1CCO[C@H]2CN(c3nc4nc[nH]c4c(N(Cc4ccccc4)Cc4ccccc4)n3)C[C@@H]21 ZINC001164673127 719406318 /nfs/dbraw/zinc/40/63/18/719406318.db2.gz SMAUJDRTJWZNIR-VXKWHMMOSA-N 1 1 455.566 3.079 20 0 JGADMO Cc1nc(CN2C(=O)CCC23CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)CC3)cs1 ZINC001164688566 719594324 /nfs/dbraw/zinc/59/43/24/719594324.db2.gz XUFCHJWQSLVBKW-UHFFFAOYSA-N 1 1 455.628 3.481 20 0 JGADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164685763 719689996 /nfs/dbraw/zinc/68/99/96/719689996.db2.gz LXCXNGUHBJPBHQ-OAQYLSRUSA-N 1 1 486.620 3.164 20 0 JGADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5OCCN(c6ncccn6)[C@@H]5C4)c32)C1 ZINC001164690870 719800978 /nfs/dbraw/zinc/80/09/78/719800978.db2.gz BJIONKOGSYFEHY-MISYRCLQSA-N 1 1 491.665 3.296 20 0 JGADMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2O1 ZINC001164700128 719818414 /nfs/dbraw/zinc/81/84/14/719818414.db2.gz IQGTULBNCHUDGU-RNCAPKPVSA-N 1 1 497.643 3.378 20 0 JGADMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2O1 ZINC001164700127 719818659 /nfs/dbraw/zinc/81/86/59/719818659.db2.gz IQGTULBNCHUDGU-MXSCXNJPSA-N 1 1 497.643 3.378 20 0 JGADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)nc1 ZINC001164702589 719820035 /nfs/dbraw/zinc/82/00/35/719820035.db2.gz SDKKNEWXRMPVDK-KMRPREKFSA-N 1 1 463.626 3.366 20 0 JGADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1c(C)c(C)n2Cc1ccccc1 ZINC001164702928 719868259 /nfs/dbraw/zinc/86/82/59/719868259.db2.gz JHANIXOCEALGTP-WXVAWEFUSA-N 1 1 477.609 3.329 20 0 JGADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OCc3ccccc3)ccc21 ZINC001164707436 719877097 /nfs/dbraw/zinc/87/70/97/719877097.db2.gz SPBGQRWJKUGXMG-JIPXPUAJSA-N 1 1 476.577 3.442 20 0 JGADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)C1 ZINC001164705895 719898706 /nfs/dbraw/zinc/89/87/06/719898706.db2.gz FHWYAGJKZJHEOM-HXUWFJFHSA-N 1 1 485.654 3.189 20 0 JGADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc2C1 ZINC001164707749 719908762 /nfs/dbraw/zinc/90/87/62/719908762.db2.gz XGTLLURIXASAGT-SFHVURJKSA-N 1 1 456.612 3.078 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@H]3C2)n1 ZINC001164704860 719921704 /nfs/dbraw/zinc/92/17/04/719921704.db2.gz VHLQKVGWVPAHLB-AABGKKOBSA-N 1 1 487.670 3.403 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c12 ZINC001164811434 720070464 /nfs/dbraw/zinc/07/04/64/720070464.db2.gz OJARQLHIJWIPHH-BCHFMIIMSA-N 1 1 463.582 3.244 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H]3CC(=O)N4c3cnn(C)c3)c2c1C ZINC001164709854 720074731 /nfs/dbraw/zinc/07/47/31/720074731.db2.gz GOSGTVJRCRKTBH-ZWKOTPCHSA-N 1 1 451.600 3.022 20 0 JGADMO Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC001164710946 720074907 /nfs/dbraw/zinc/07/49/07/720074907.db2.gz KZDRWGAKFNPNBI-OALUTQOASA-N 1 1 477.638 3.284 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@@H]43)c2c1C ZINC001164714965 720085130 /nfs/dbraw/zinc/08/51/30/720085130.db2.gz XQZWWWZZHCSRRE-ROKPMTFOSA-N 1 1 499.681 3.279 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164710015 720100348 /nfs/dbraw/zinc/10/03/48/720100348.db2.gz FLRDUEDTZJEGRN-QFIPXVFZSA-N 1 1 461.566 3.319 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164712127 720102739 /nfs/dbraw/zinc/10/27/39/720102739.db2.gz VRKIRFFNVZPWGP-HXUWFJFHSA-N 1 1 461.566 3.304 20 0 JGADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC)OCC ZINC001164811140 720116527 /nfs/dbraw/zinc/11/65/27/720116527.db2.gz LRXBLZCHAOWZSQ-JPYJTQIMSA-N 1 1 453.027 3.256 20 0 JGADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n1)C2 ZINC001164808540 720117141 /nfs/dbraw/zinc/11/71/41/720117141.db2.gz FNGIRQPEOWVIQZ-IDISGSTGSA-N 1 1 480.657 3.433 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)C2 ZINC001164814953 720117369 /nfs/dbraw/zinc/11/73/69/720117369.db2.gz USNSBCZLXIUNKA-CLOONOSVSA-N 1 1 455.603 3.163 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164711140 720137705 /nfs/dbraw/zinc/13/77/05/720137705.db2.gz FQEOGIGYPUCAAL-KRWDZBQOSA-N 1 1 479.959 3.281 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1cc(C(=O)OC)n3C)CC2 ZINC001164714400 720138732 /nfs/dbraw/zinc/13/87/32/720138732.db2.gz WZYAUZBHGLZVPF-SFHVURJKSA-N 1 1 499.015 3.311 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(N3CCCCCC3)n1)CC2 ZINC001164710871 720140334 /nfs/dbraw/zinc/14/03/34/720140334.db2.gz FGRAOMCBNFPCAT-QFIPXVFZSA-N 1 1 481.645 3.163 20 0 JGADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164713997 720144264 /nfs/dbraw/zinc/14/42/64/720144264.db2.gz UWYWDXQFFXHVPQ-GOSISDBHSA-N 1 1 467.948 3.500 20 0 JGADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(C(=O)NCC(C)C)ccc31)C2 ZINC001164811079 720147895 /nfs/dbraw/zinc/14/78/95/720147895.db2.gz LFUWZKSVLUYJHS-QFQXNSOFSA-N 1 1 451.615 3.200 20 0 JGADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164715787 720157622 /nfs/dbraw/zinc/15/76/22/720157622.db2.gz WQMXUQQEPHDQRS-LJQANCHMSA-N 1 1 473.021 3.172 20 0 JGADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164711901 720157635 /nfs/dbraw/zinc/15/76/35/720157635.db2.gz DJKDBOZVURPOTH-IBGZPJMESA-N 1 1 452.933 3.421 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@]34CCN(C)C4=O)CC2)nc1 ZINC001164716483 720161970 /nfs/dbraw/zinc/16/19/70/720161970.db2.gz ZSVZJDXCRDDOBX-LXFBAYGMSA-N 1 1 496.700 3.451 20 0 JGADMO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CCC2 ZINC001164814787 720217832 /nfs/dbraw/zinc/21/78/32/720217832.db2.gz ZBXHMFAJRSHLHD-UHFFFAOYSA-N 1 1 472.637 3.447 20 0 JGADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CCC2 ZINC001164814787 720217839 /nfs/dbraw/zinc/21/78/39/720217839.db2.gz ZBXHMFAJRSHLHD-UHFFFAOYSA-N 1 1 472.637 3.447 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(OC)cc4)nc4ccc(F)cc43)C2)C1 ZINC001164719301 720231345 /nfs/dbraw/zinc/23/13/45/720231345.db2.gz QUJIOXLGWZTJSG-MHZLTWQESA-N 1 1 493.583 3.109 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(OC)cc4)nc4ccc(F)cc43)C2)C1 ZINC001164719301 720231355 /nfs/dbraw/zinc/23/13/55/720231355.db2.gz QUJIOXLGWZTJSG-MHZLTWQESA-N 1 1 493.583 3.109 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)C2)C1 ZINC001164720241 720261004 /nfs/dbraw/zinc/26/10/04/720261004.db2.gz SUTZOWQZFIZOPY-HHHXNRCGSA-N 1 1 477.584 3.409 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4F)nc4ccc(C)cc43)C2)C1 ZINC001164720241 720261011 /nfs/dbraw/zinc/26/10/11/720261011.db2.gz SUTZOWQZFIZOPY-HHHXNRCGSA-N 1 1 477.584 3.409 20 0 JGADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(C)s4)nc4ccccc43)C2)C1 ZINC001164722866 720292922 /nfs/dbraw/zinc/29/29/22/720292922.db2.gz SSCVNWNWVANZBT-VWLOTQADSA-N 1 1 465.623 3.332 20 0 JGADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(C)s4)nc4ccccc43)C2)C1 ZINC001164722866 720292931 /nfs/dbraw/zinc/29/29/31/720292931.db2.gz SSCVNWNWVANZBT-VWLOTQADSA-N 1 1 465.623 3.332 20 0 JGADMO Cc1cc2c(ncnc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1S(=O)(=O)c1ccccc1 ZINC001164722597 720353622 /nfs/dbraw/zinc/35/36/22/720353622.db2.gz FMLJACSPBMHTSG-XZOQPEGZSA-N 1 1 474.590 3.225 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730994 720371201 /nfs/dbraw/zinc/37/12/01/720371201.db2.gz XRCGOHDPIRTUFQ-ZWKOTPCHSA-N 1 1 463.916 3.490 20 0 JGADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730994 720371210 /nfs/dbraw/zinc/37/12/10/720371210.db2.gz XRCGOHDPIRTUFQ-ZWKOTPCHSA-N 1 1 463.916 3.490 20 0 JGADMO O=C(c1cccnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731367 720406768 /nfs/dbraw/zinc/40/67/68/720406768.db2.gz ZHJGQGFYUHLLLA-RRPNLBNLSA-N 1 1 482.632 3.288 20 0 JGADMO COc1ccc(Cn2cc3[nH]c(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ccc-3c2=O)cc1 ZINC001164735339 720429387 /nfs/dbraw/zinc/42/93/87/720429387.db2.gz WHUSAKIUUWHECK-LOSJGSFVSA-N 1 1 455.562 3.494 20 0 JGADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164731496 720439390 /nfs/dbraw/zinc/43/93/90/720439390.db2.gz KYEOGKZQKODANC-NHCUHLMSSA-N 1 1 464.639 3.389 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccccc4nc3N3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834220 720540712 /nfs/dbraw/zinc/54/07/12/720540712.db2.gz CVOGTLIXVXYUOX-AWRGLXIESA-N 1 1 461.614 3.041 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)CC[C@@H]21 ZINC001164838744 720585694 /nfs/dbraw/zinc/58/56/94/720585694.db2.gz LKZXVJIWBRBOOW-QTEQDKRBSA-N 1 1 496.637 3.247 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840631 720608136 /nfs/dbraw/zinc/60/81/36/720608136.db2.gz QCLNQUMAOQFLCC-SOUVJXGZSA-N 1 1 450.925 3.077 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)CC[C@@H]21 ZINC001164840128 720615993 /nfs/dbraw/zinc/61/59/93/720615993.db2.gz PBZYOFJXWMZPPK-AOIWGVFYSA-N 1 1 487.033 3.413 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840131 720616131 /nfs/dbraw/zinc/61/61/31/720616131.db2.gz PBZYOFJXWMZPPK-JENIJYKNSA-N 1 1 487.033 3.413 20 0 JGADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)CC[C@@H]21 ZINC001164840133 720616395 /nfs/dbraw/zinc/61/63/95/720616395.db2.gz PBZYOFJXWMZPPK-LNLFQRSKSA-N 1 1 487.033 3.413 20 0 JGADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842239 720625494 /nfs/dbraw/zinc/62/54/94/720625494.db2.gz UVCNLGBSAHJRQO-AYRHNUGRSA-N 1 1 486.668 3.378 20 0 JGADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746245 720645636 /nfs/dbraw/zinc/64/56/36/720645636.db2.gz WJUNUQIXJQJCGM-NHCUHLMSSA-N 1 1 484.560 3.349 20 0 JGADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736905 720690035 /nfs/dbraw/zinc/69/00/35/720690035.db2.gz CFPGEZRCCULAMY-GXTWGEPZSA-N 1 1 483.306 3.493 20 0 JGADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736905 720690041 /nfs/dbraw/zinc/69/00/41/720690041.db2.gz CFPGEZRCCULAMY-GXTWGEPZSA-N 1 1 483.306 3.493 20 0 JGADMO COC(=O)C1CCN(c2ccnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)CC1 ZINC001164840365 720702706 /nfs/dbraw/zinc/70/27/06/720702706.db2.gz PZGJBGZSUGMQIB-QHCPKHFHSA-N 1 1 479.625 3.126 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2 ZINC001164841776 720712198 /nfs/dbraw/zinc/71/21/98/720712198.db2.gz WXIPIBSRKJPXIE-JOCHJYFZSA-N 1 1 470.639 3.126 20 0 JGADMO CCOC(=O)N1CCc2nnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2C1 ZINC001164842278 720713592 /nfs/dbraw/zinc/71/35/92/720713592.db2.gz XLAOQDCKHXTWAO-JOCHJYFZSA-N 1 1 465.598 3.251 20 0 JGADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164840921 720715535 /nfs/dbraw/zinc/71/55/35/720715535.db2.gz SPIICBKYDYWDGO-QFIPXVFZSA-N 1 1 477.609 3.172 20 0 JGADMO c1cc(C2OCCCO2)ccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746902 720740560 /nfs/dbraw/zinc/74/05/60/720740560.db2.gz YVXOSQMETSTLHP-XZOQPEGZSA-N 1 1 459.550 3.316 20 0 JGADMO COc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164744800 720757586 /nfs/dbraw/zinc/75/75/86/720757586.db2.gz SSRFTOWOAFIGDU-MJGOQNOKSA-N 1 1 460.563 3.499 20 0 JGADMO c1ncc(O[C@H]2C[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)cn1 ZINC001164741848 720764868 /nfs/dbraw/zinc/76/48/68/720764868.db2.gz NDETZTPBLYZWCB-OALUTQOASA-N 1 1 491.665 3.298 20 0 JGADMO c1ncc(O[C@H]2C[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)cn1 ZINC001164741844 720765909 /nfs/dbraw/zinc/76/59/09/720765909.db2.gz NDETZTPBLYZWCB-MOPGFXCFSA-N 1 1 491.665 3.298 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164747708 720791875 /nfs/dbraw/zinc/79/18/75/720791875.db2.gz PEJVBKKBRHJCEJ-QZTJIDSGSA-N 1 1 458.900 3.474 20 0 JGADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164747708 720791888 /nfs/dbraw/zinc/79/18/88/720791888.db2.gz PEJVBKKBRHJCEJ-QZTJIDSGSA-N 1 1 458.900 3.474 20 0 JGADMO c1cc(N2CCCCC2)ccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164748215 720793839 /nfs/dbraw/zinc/79/38/39/720793839.db2.gz QBSDHMXZJZEDJE-XZOQPEGZSA-N 1 1 457.582 3.266 20 0 JGADMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164748735 720799989 /nfs/dbraw/zinc/79/99/89/720799989.db2.gz RFBPSQHIYVDWAC-RTWAWAEBSA-N 1 1 450.974 3.470 20 0 JGADMO O=C(N[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H]2COC[C@@H]12)C1CCC1 ZINC001164849647 720803291 /nfs/dbraw/zinc/80/32/91/720803291.db2.gz SHBJJGTWZKHMBL-XUVXKRRUSA-N 1 1 481.666 3.286 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@H]43)c2c1C ZINC001164844586 720803478 /nfs/dbraw/zinc/80/34/78/720803478.db2.gz BRZPCFVUKYFHQC-CEXWTWQISA-N 1 1 455.628 3.024 20 0 JGADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164749274 720803764 /nfs/dbraw/zinc/80/37/64/720803764.db2.gz STXFDCWKEVHVSH-MAUKXSAKSA-N 1 1 454.918 3.063 20 0 JGADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164750512 720804216 /nfs/dbraw/zinc/80/42/16/720804216.db2.gz VVWPEXXAWLJRAQ-MSOLQXFVSA-N 1 1 486.967 3.386 20 0 JGADMO COc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164749871 720805580 /nfs/dbraw/zinc/80/55/80/720805580.db2.gz URHASTAXLOGYCD-FUHWJXTLSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164749871 720805581 /nfs/dbraw/zinc/80/55/81/720805581.db2.gz URHASTAXLOGYCD-FUHWJXTLSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164752011 720805907 /nfs/dbraw/zinc/80/59/07/720805907.db2.gz YKNGISXGMRSEEH-HOTGVXAUSA-N 1 1 488.926 3.482 20 0 JGADMO COc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164752011 720805908 /nfs/dbraw/zinc/80/59/08/720805908.db2.gz YKNGISXGMRSEEH-HOTGVXAUSA-N 1 1 488.926 3.482 20 0 JGADMO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164749233 720810027 /nfs/dbraw/zinc/81/00/27/720810027.db2.gz SLSUKMSPCUAROI-GUDVDZBRSA-N 1 1 481.626 3.147 20 0 JGADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742424 720812255 /nfs/dbraw/zinc/81/22/55/720812255.db2.gz CYGSETXYNXXADN-WSTZPKSXSA-N 1 1 458.994 3.191 20 0 JGADMO COCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(-c2ccccc2)n1 ZINC001164744203 720813385 /nfs/dbraw/zinc/81/33/85/720813385.db2.gz HYWJLZPEJDTTCJ-OEMFJLHTSA-N 1 1 459.598 3.261 20 0 JGADMO Clc1cc(-c2ccncc2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164743791 720815823 /nfs/dbraw/zinc/81/58/23/720815823.db2.gz SKBBLSWFJPDGTB-IRFCIJBXSA-N 1 1 450.978 3.163 20 0 JGADMO O=C(NCCc1ccccc1)[C@@]12COC[C@@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164848710 720816410 /nfs/dbraw/zinc/81/64/10/720816410.db2.gz DQRQEIUTXMEVCU-OFVILXPXSA-N 1 1 455.002 3.143 20 0 JGADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164740687 720819340 /nfs/dbraw/zinc/81/93/40/720819340.db2.gz KPZDVVPSCQEWIZ-HZSPNIEDSA-N 1 1 494.818 3.351 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cnc1Cl ZINC001164739195 720821318 /nfs/dbraw/zinc/82/13/18/720821318.db2.gz HQSWYKNUCXAINZ-KVSKMBFKSA-N 1 1 480.947 3.037 20 0 JGADMO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164737347 720824134 /nfs/dbraw/zinc/82/41/34/720824134.db2.gz AENBCULISIKDRV-XGHQBKJUSA-N 1 1 453.978 3.263 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738810 720824162 /nfs/dbraw/zinc/82/41/62/720824162.db2.gz GUTTWMJUHCKTQA-IRFCIJBXSA-N 1 1 493.637 3.353 20 0 JGADMO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746138 720827805 /nfs/dbraw/zinc/82/78/05/720827805.db2.gz XZHKNXDBWOHIET-UAFMIMERSA-N 1 1 498.035 3.150 20 0 JGADMO O=C(Nc1ccccc1)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164745137 720829962 /nfs/dbraw/zinc/82/99/62/720829962.db2.gz WPWBPOKMQRBRDX-YFNKSVMNSA-N 1 1 457.582 3.305 20 0 JGADMO O=C(Nc1ccccc1)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164745134 720830062 /nfs/dbraw/zinc/83/00/62/720830062.db2.gz WPWBPOKMQRBRDX-GMKZXUHWSA-N 1 1 457.582 3.305 20 0 JGADMO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2n1 ZINC001164741703 720832447 /nfs/dbraw/zinc/83/24/47/720832447.db2.gz OCEHFKKRAVHFLD-JENIJYKNSA-N 1 1 453.978 3.263 20 0 JGADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164744549 720837707 /nfs/dbraw/zinc/83/77/07/720837707.db2.gz KNZYVXYTJIPUJY-XKGZKEIXSA-N 1 1 484.967 3.427 20 0 JGADMO CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)n1 ZINC001164747761 720843018 /nfs/dbraw/zinc/84/30/18/720843018.db2.gz ROPSCSDZVZKKIT-QHAWAJNXSA-N 1 1 462.602 3.400 20 0 JGADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2[nH]cnc21 ZINC001164741561 720844579 /nfs/dbraw/zinc/84/45/79/720844579.db2.gz FJDNIJBRBACKSS-CMKODMSKSA-N 1 1 493.616 3.276 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164748934 720844713 /nfs/dbraw/zinc/84/47/13/720844713.db2.gz VDJAYMDJSFQSAW-NNMXDRDESA-N 1 1 496.015 3.431 20 0 JGADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743144 720846185 /nfs/dbraw/zinc/84/61/85/720846185.db2.gz IXPOJGJUQGBJJZ-JTDSTZFVSA-N 1 1 480.947 3.037 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164742493 720846463 /nfs/dbraw/zinc/84/64/63/720846463.db2.gz HAFMPPVHGYYMGE-XUVXKRRUSA-N 1 1 495.653 3.456 20 0 JGADMO O=C(c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CCc2ccccc21 ZINC001164751956 720846594 /nfs/dbraw/zinc/84/65/94/720846594.db2.gz ZXBXEAVIPXDRTB-MVERNJQCSA-N 1 1 483.620 3.255 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164742492 720846678 /nfs/dbraw/zinc/84/66/78/720846678.db2.gz HAFMPPVHGYYMGE-VAMGGRTRSA-N 1 1 495.653 3.456 20 0 JGADMO O=C(OCc1ccccc1)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164745180 720850700 /nfs/dbraw/zinc/85/07/00/720850700.db2.gz MJXFFQDXQCLDBA-ISJGIBHGSA-N 1 1 472.593 3.410 20 0 JGADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c(OC)c1 ZINC001164753050 720851971 /nfs/dbraw/zinc/85/19/71/720851971.db2.gz VOYOTSZQPUOSKZ-DCLXLUIPSA-N 1 1 475.597 3.132 20 0 JGADMO COC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc2c1OC ZINC001164746189 720853315 /nfs/dbraw/zinc/85/33/15/720853315.db2.gz GHUIUNKPTSIFTE-WOIUINJBSA-N 1 1 476.581 3.001 20 0 JGADMO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)s1 ZINC001164748114 720854777 /nfs/dbraw/zinc/85/47/77/720854777.db2.gz KCZAAENVNWLTMW-SFHLNBCPSA-N 1 1 450.616 3.188 20 0 JGADMO Clc1cc(-c2ccncc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753916 720857373 /nfs/dbraw/zinc/85/73/73/720857373.db2.gz ZDDMXNOUMGPVAW-IRFCIJBXSA-N 1 1 450.978 3.163 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)c(F)cc3C(=O)NCc3cccs3)CC[C@H]2C1 ZINC001164854024 720864211 /nfs/dbraw/zinc/86/42/11/720864211.db2.gz IEDJSGQUGOHMEV-HNAYVOBHSA-N 1 1 483.009 3.039 20 0 JGADMO COC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750114 720871796 /nfs/dbraw/zinc/87/17/96/720871796.db2.gz ITQUIVLQGIIJPI-NTKDMRAZSA-N 1 1 471.989 3.067 20 0 JGADMO COC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755217 720871909 /nfs/dbraw/zinc/87/19/09/720871909.db2.gz VACYDMPXXGOEFZ-ZEQKJWHPSA-N 1 1 450.583 3.327 20 0 JGADMO COC(=O)c1cc(F)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751558 720872787 /nfs/dbraw/zinc/87/27/87/720872787.db2.gz LAIHRIYNWWJCIF-CJFMBICVSA-N 1 1 454.546 3.157 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164859115 720875484 /nfs/dbraw/zinc/87/54/84/720875484.db2.gz LQFGNLINYBLDIR-LEWJYISDSA-N 1 1 473.687 3.468 20 0 JGADMO COC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1OC ZINC001164750746 720875492 /nfs/dbraw/zinc/87/54/92/720875492.db2.gz JRBLRBHNFHWXJI-LVXARBLLSA-N 1 1 466.582 3.027 20 0 JGADMO COC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1OC ZINC001164748524 720875584 /nfs/dbraw/zinc/87/55/84/720875584.db2.gz FRLILTVYJVVHIH-LVXARBLLSA-N 1 1 466.582 3.027 20 0 JGADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164855533 720876320 /nfs/dbraw/zinc/87/63/20/720876320.db2.gz HDDLIGMDMCTABJ-PZJWPPBQSA-N 1 1 485.698 3.339 20 0 JGADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164855531 720876540 /nfs/dbraw/zinc/87/65/40/720876540.db2.gz HDDLIGMDMCTABJ-CTNGQTDRSA-N 1 1 485.698 3.339 20 0 JGADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754022 720879006 /nfs/dbraw/zinc/87/90/06/720879006.db2.gz QTQUJWFIUYWMSX-KDYSTLNUSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754022 720879009 /nfs/dbraw/zinc/87/90/09/720879009.db2.gz QTQUJWFIUYWMSX-KDYSTLNUSA-N 1 1 490.608 3.285 20 0 JGADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754022 720879010 /nfs/dbraw/zinc/87/90/10/720879010.db2.gz QTQUJWFIUYWMSX-KDYSTLNUSA-N 1 1 490.608 3.285 20 0 JGADMO CC(C)OC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164753971 720879487 /nfs/dbraw/zinc/87/94/87/720879487.db2.gz QPBHAOKTMHUIGU-ATIYNZHBSA-N 1 1 465.598 3.192 20 0 JGADMO COC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164752219 720880883 /nfs/dbraw/zinc/88/08/83/720880883.db2.gz MBCQHQUBNDWCST-ATIYNZHBSA-N 1 1 450.583 3.327 20 0 JGADMO CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747225 720881514 /nfs/dbraw/zinc/88/15/14/720881514.db2.gz APNBROFQNSXGGX-GJZUVCINSA-N 1 1 465.598 3.112 20 0 JGADMO Cn1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757889 720883962 /nfs/dbraw/zinc/88/39/62/720883962.db2.gz WCFRNKRUKLFJNL-NTKDMRAZSA-N 1 1 468.005 3.167 20 0 JGADMO COC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1 ZINC001164753439 720884949 /nfs/dbraw/zinc/88/49/49/720884949.db2.gz GVOHRPYOQNMJGI-PXDATVDWSA-N 1 1 454.546 3.157 20 0 JGADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164758514 720886867 /nfs/dbraw/zinc/88/68/67/720886867.db2.gz ZACDYUJIXVLETD-NVQXNPDNSA-N 1 1 465.598 3.112 20 0 JGADMO COCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(SC)n1 ZINC001164758868 720888403 /nfs/dbraw/zinc/88/84/03/720888403.db2.gz ZYIFXRHTXZHSAI-SQJMNOBHSA-N 1 1 469.655 3.495 20 0 JGADMO CCOc1ccc(C(=O)OC)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757167 720894366 /nfs/dbraw/zinc/89/43/66/720894366.db2.gz UBFUYYIXVRAIAB-AJTFRIOCSA-N 1 1 480.609 3.417 20 0 JGADMO COC(=O)c1cc(C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753407 720896811 /nfs/dbraw/zinc/89/68/11/720896811.db2.gz GTWWHMXZVZCPBT-BKMJKUGQSA-N 1 1 450.583 3.327 20 0 JGADMO Clc1ncnc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164753383 720898027 /nfs/dbraw/zinc/89/80/27/720898027.db2.gz GSRQVXSULMXRTQ-NTKDMRAZSA-N 1 1 465.989 3.223 20 0 JGADMO Clc1ncnc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164753381 720898046 /nfs/dbraw/zinc/89/80/46/720898046.db2.gz GSRQVXSULMXRTQ-DVECYGJZSA-N 1 1 465.989 3.223 20 0 JGADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757800 720899990 /nfs/dbraw/zinc/89/99/90/720899990.db2.gz VPVAJQKPCQWYMA-YIXXDRMTSA-N 1 1 479.625 3.174 20 0 JGADMO CN1CCOc2c(Cl)nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164753294 720906012 /nfs/dbraw/zinc/90/60/12/720906012.db2.gz RKNQJMGPUKOCRR-NLFFAJNJSA-N 1 1 485.032 3.109 20 0 JGADMO CCCNC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164751361 720911660 /nfs/dbraw/zinc/91/16/60/720911660.db2.gz LSROJXOKJLNILM-IGKIAQTJSA-N 1 1 463.626 3.372 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3CO[C@@H](CNC(=O)c4ccno4)[C@@H]3C2)n1 ZINC001164853972 720912020 /nfs/dbraw/zinc/91/20/20/720912020.db2.gz DGLLRUVFRMDISQ-GGPKGHCWSA-N 1 1 498.653 3.409 20 0 JGADMO F[C@H](Oc1cncc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750759 720931174 /nfs/dbraw/zinc/93/11/74/720931174.db2.gz KEOHKEYMZIFNBU-WTIAFYNJSA-N 1 1 461.969 3.408 20 0 JGADMO CCOC(=O)Cc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752201 720936939 /nfs/dbraw/zinc/93/69/39/720936939.db2.gz NNMGJLNGNAIUKF-SQHAQQRYSA-N 1 1 464.610 3.337 20 0 JGADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164760854 721021132 /nfs/dbraw/zinc/02/11/32/721021132.db2.gz QASJUJMURVTUNS-BHIFYINESA-N 1 1 470.017 3.274 20 0 JGADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861076 721033138 /nfs/dbraw/zinc/03/31/38/721033138.db2.gz ALHNZMKLWKBFJN-UHFFFAOYSA-N 1 1 456.888 3.241 20 0 JGADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164870462 721066313 /nfs/dbraw/zinc/06/63/13/721066313.db2.gz VYBXCNRYIFJSQC-OLZOCXBDSA-N 1 1 466.760 3.255 20 0 JGADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866531 721068727 /nfs/dbraw/zinc/06/87/27/721068727.db2.gz FCMLZWKKADJRIH-NHCUHLMSSA-N 1 1 475.984 3.403 20 0 JGADMO COc1cc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164867974 721074397 /nfs/dbraw/zinc/07/43/97/721074397.db2.gz LOAMFIDFCFDLFB-DLBZAZTESA-N 1 1 455.946 3.175 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866415 721081768 /nfs/dbraw/zinc/08/17/68/721081768.db2.gz TZWNZQDOWWZURN-QZTJIDSGSA-N 1 1 467.957 3.335 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164768173 721111415 /nfs/dbraw/zinc/11/14/15/721111415.db2.gz NNWPYXCJOAWTRY-QZTJIDSGSA-N 1 1 452.584 3.074 20 0 JGADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766390 721123779 /nfs/dbraw/zinc/12/37/79/721123779.db2.gz KXUQKBZFSGAYCM-IRXDYDNUSA-N 1 1 454.962 3.152 20 0 JGADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164773363 721193700 /nfs/dbraw/zinc/19/37/00/721193700.db2.gz WPVSESIEEGEPIL-QZTJIDSGSA-N 1 1 454.600 3.177 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)nc1 ZINC001164869105 721216069 /nfs/dbraw/zinc/21/60/69/721216069.db2.gz BSRDQDAQIZPJGT-POGFHVCPSA-N 1 1 464.614 3.367 20 0 JGADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)COC(=O)Nc4cccnc4Cl)C[C@@H]3C2)cn1 ZINC001164766173 721236817 /nfs/dbraw/zinc/23/68/17/721236817.db2.gz SJLOAFDDZZLQLU-HOTGVXAUSA-N 1 1 454.909 3.064 20 0 JGADMO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164761528 721253127 /nfs/dbraw/zinc/25/31/27/721253127.db2.gz JHYXOGPBNAOMKY-QLBJFCOMSA-N 1 1 472.589 3.248 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCCN(c4cnccn4)[C@@H]3C2)n1 ZINC001164767775 721264452 /nfs/dbraw/zinc/26/44/52/721264452.db2.gz SRXKIOQLDVGTQY-QZTJIDSGSA-N 1 1 453.616 3.034 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5OCCN(c6cnccn6)[C@@H]5C3)n2)CCC4)CC1 ZINC001164763081 721264781 /nfs/dbraw/zinc/26/47/81/721264781.db2.gz BOSAKPMHUQSRKR-WOJBJXKFSA-N 1 1 491.665 3.296 20 0 JGADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5[C@H](C3)OCCN5c3cnccn3)n2)CCC4)CC1 ZINC001164763076 721264814 /nfs/dbraw/zinc/26/48/14/721264814.db2.gz BOSAKPMHUQSRKR-UXHICEINSA-N 1 1 491.665 3.296 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC2)C1 ZINC001164872038 721284888 /nfs/dbraw/zinc/28/48/88/721284888.db2.gz AAIYQSGWWZLNKK-UHFFFAOYSA-N 1 1 477.968 3.068 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC2)C1 ZINC001164878673 721285231 /nfs/dbraw/zinc/28/52/31/721285231.db2.gz SLCBQEMYLDETHW-UHFFFAOYSA-N 1 1 493.986 3.349 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(-c4cccc5ccccc54)nn3)CC2)C1 ZINC001164873807 721288835 /nfs/dbraw/zinc/28/88/35/721288835.db2.gz BBQLOEYOLNJTDU-UHFFFAOYSA-N 1 1 459.594 3.304 20 0 JGADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cnc(Cl)nc3Oc3cccc(F)c3)CC2)C1 ZINC001164879711 721292815 /nfs/dbraw/zinc/29/28/15/721292815.db2.gz ZYJFHTVMDDXSAW-UHFFFAOYSA-N 1 1 477.968 3.068 20 0 JGADMO Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1 ZINC001164878714 721293047 /nfs/dbraw/zinc/29/30/47/721293047.db2.gz UHCZBBZPFNZIQB-UHFFFAOYSA-N 1 1 474.005 3.238 20 0 JGADMO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164876635 721296474 /nfs/dbraw/zinc/29/64/74/721296474.db2.gz KOFJTOLGAYHHIL-OFVILXPXSA-N 1 1 489.645 3.464 20 0 JGADMO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164876635 721296485 /nfs/dbraw/zinc/29/64/85/721296485.db2.gz KOFJTOLGAYHHIL-OFVILXPXSA-N 1 1 489.645 3.464 20 0 JGADMO C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@H+](CC2CC2)C4)n1)CCCC3)N1CCOCC1 ZINC001164767876 721297961 /nfs/dbraw/zinc/29/79/61/721297961.db2.gz AQDXELZZMPNPQK-UHFFFAOYSA-N 1 1 453.656 3.324 20 0 JGADMO O=C(NCc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@H]2OCC[C@@H]21 ZINC001164881971 721302035 /nfs/dbraw/zinc/30/20/35/721302035.db2.gz YVSLJAPWJSICDE-SLQPCKNISA-N 1 1 483.616 3.193 20 0 JGADMO COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164776416 721307798 /nfs/dbraw/zinc/30/77/98/721307798.db2.gz NTCMGRPEXBPHLU-UHFFFAOYSA-N 1 1 498.631 3.422 20 0 JGADMO COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164776416 721307802 /nfs/dbraw/zinc/30/78/02/721307802.db2.gz NTCMGRPEXBPHLU-UHFFFAOYSA-N 1 1 498.631 3.422 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4OCCN(c5ccc(C)nn5)[C@H]4C3)c2c1C ZINC001164776622 721312460 /nfs/dbraw/zinc/31/24/60/721312460.db2.gz NUKPVSWYKHHOOC-VQTJNVASSA-N 1 1 479.654 3.486 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4[C@H](C3)OCCN4c3ccc(C)nn3)c2c1C ZINC001164775815 721312471 /nfs/dbraw/zinc/31/24/71/721312471.db2.gz KAMUSGNUPMURBY-MOPGFXCFSA-N 1 1 465.627 3.096 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4OCCN(c5ccc(C)nn5)[C@H]4C3)c2c1C ZINC001164775817 721312704 /nfs/dbraw/zinc/31/27/04/721312704.db2.gz KAMUSGNUPMURBY-RBUKOAKNSA-N 1 1 465.627 3.096 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCCC3)C2)C1 ZINC001164776220 721332507 /nfs/dbraw/zinc/33/25/07/721332507.db2.gz DGPQHPNJJHUEFT-RUZDIDTESA-N 1 1 453.587 3.041 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCCC3)C2)C1 ZINC001164776220 721332510 /nfs/dbraw/zinc/33/25/10/721332510.db2.gz DGPQHPNJJHUEFT-RUZDIDTESA-N 1 1 453.587 3.041 20 0 JGADMO CCOC(=O)/C=C\c1cccnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778864 721334671 /nfs/dbraw/zinc/33/46/71/721334671.db2.gz ZMZBTIHJJGAFDJ-KWQGRVAKSA-N 1 1 454.571 3.382 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc5c(cc43)OCCO5)C2)C1 ZINC001164779056 721339079 /nfs/dbraw/zinc/33/90/79/721339079.db2.gz PUJCDNGQFDWWPR-RUZDIDTESA-N 1 1 465.554 3.125 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC(=O)N3c2ccsc2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164881499 721356824 /nfs/dbraw/zinc/35/68/24/721356824.db2.gz CYSNUTFYMDOSCR-MTNREXPMSA-N 1 1 497.665 3.326 20 0 JGADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4cccnc4F)n3)C2)C1 ZINC001164785238 721358638 /nfs/dbraw/zinc/35/86/38/721358638.db2.gz SRPBYKNEKRVDHK-DEOSSOPVSA-N 1 1 452.534 3.402 20 0 JGADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4cccnc4F)n3)C2)C1 ZINC001164785238 721358644 /nfs/dbraw/zinc/35/86/44/721358644.db2.gz SRPBYKNEKRVDHK-DEOSSOPVSA-N 1 1 452.534 3.402 20 0 JGADMO COC(=O)c1cc2c[nH]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc-2n1 ZINC001164780262 721362442 /nfs/dbraw/zinc/36/24/42/721362442.db2.gz FBTCDTWAKZZLHF-XMMPIXPASA-N 1 1 453.543 3.073 20 0 JGADMO COc1nc(Cl)ncc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779933 721363061 /nfs/dbraw/zinc/36/30/61/721363061.db2.gz AVSIHEUBYTVVQZ-HXUWFJFHSA-N 1 1 471.936 3.407 20 0 JGADMO COc1nc(Cl)ncc1C(F)(F)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779933 721363065 /nfs/dbraw/zinc/36/30/65/721363065.db2.gz AVSIHEUBYTVVQZ-HXUWFJFHSA-N 1 1 471.936 3.407 20 0 JGADMO CCOC(=O)c1c[nH]c2cc(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)[nH+]cc21 ZINC001164782990 721363972 /nfs/dbraw/zinc/36/39/72/721363972.db2.gz OTCVKSSRIOCDGM-RUZDIDTESA-N 1 1 467.570 3.463 20 0 JGADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164780314 721364200 /nfs/dbraw/zinc/36/42/00/721364200.db2.gz FZWPMYJSDRRHRG-QHCPKHFHSA-N 1 1 488.976 3.122 20 0 JGADMO CCOC(=O)c1c[nH]c2cc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)[nH+]cc21 ZINC001164782992 721364500 /nfs/dbraw/zinc/36/45/00/721364500.db2.gz OTCVKSSRIOCDGM-VWLOTQADSA-N 1 1 467.570 3.463 20 0 JGADMO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C2)C1 ZINC001164784574 721375846 /nfs/dbraw/zinc/37/58/46/721375846.db2.gz QIEUAVZJOYTKAI-SANMLTNESA-N 1 1 469.630 3.184 20 0 JGADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164783046 721378700 /nfs/dbraw/zinc/37/87/00/721378700.db2.gz NFXLXAXZYRCBNA-DKRHUIDYSA-N 1 1 483.616 3.449 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C3)O2)CC1 ZINC001164890025 721391726 /nfs/dbraw/zinc/39/17/26/721391726.db2.gz NFHJAQOINNZBFC-AVRDEDQJSA-N 1 1 485.023 3.041 20 0 JGADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1Cl ZINC001164893596 721396683 /nfs/dbraw/zinc/39/66/83/721396683.db2.gz VURQBIZEOLIQJY-OPAMFIHVSA-N 1 1 471.429 3.331 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5cc(F)c(F)cc5nc4Cl)C3)O2)CC1 ZINC001164893068 721403832 /nfs/dbraw/zinc/40/38/32/721403832.db2.gz ZYDZATFRXSXHIR-IVZQSRNASA-N 1 1 451.949 3.327 20 0 JGADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883525 721404040 /nfs/dbraw/zinc/40/40/40/721404040.db2.gz ANNITCTYIFUMQB-KBMIEXCESA-N 1 1 485.654 3.147 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4OCc4ccccc4)C3)O2)CC1 ZINC001164887308 721414101 /nfs/dbraw/zinc/41/41/01/721414101.db2.gz LWONRLMNVDHAKJ-PXDATVDWSA-N 1 1 472.033 3.474 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001164883476 721420423 /nfs/dbraw/zinc/42/04/23/721420423.db2.gz ABCDTLBMJNVREP-KOSHJBKYSA-N 1 1 465.038 3.456 20 0 JGADMO c1csc(C[N@@H+]2C[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784772 721426410 /nfs/dbraw/zinc/42/64/10/721426410.db2.gz MDMMXZALVCHRKK-HDICACEKSA-N 1 1 496.706 3.427 20 0 JGADMO c1csc(C[N@H+]2C[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784772 721426415 /nfs/dbraw/zinc/42/64/15/721426415.db2.gz MDMMXZALVCHRKK-HDICACEKSA-N 1 1 496.706 3.427 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5ccn(C(=O)c6ccccc6)c5n4)C3)O2)CC1 ZINC001164893777 721429383 /nfs/dbraw/zinc/42/93/83/721429383.db2.gz KKGPOLJFAZANKD-RBJSKKJNSA-N 1 1 473.621 3.490 20 0 JGADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164892187 721430286 /nfs/dbraw/zinc/43/02/86/721430286.db2.gz HRJPYIFUOWBPQJ-JTSKRJEESA-N 1 1 486.991 3.222 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5cccnc5)nc5ccccc54)C3)O2)CC1 ZINC001164898655 721433286 /nfs/dbraw/zinc/43/32/86/721433286.db2.gz WILCMVGVDRUJEO-WXVAWEFUSA-N 1 1 458.610 3.457 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccn5)nc5ccccc54)C3)O2)CC1 ZINC001164893156 721433842 /nfs/dbraw/zinc/43/38/42/721433842.db2.gz JKOBSZFMNMMPKB-JIPXPUAJSA-N 1 1 458.610 3.457 20 0 JGADMO CCN(c1ccccc1)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncn1 ZINC001164897873 721443706 /nfs/dbraw/zinc/44/37/06/721443706.db2.gz VBEJJEZJMIBUSA-ZEQKJWHPSA-N 1 1 450.631 3.400 20 0 JGADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)C3)O2)CC1 ZINC001164894913 721444094 /nfs/dbraw/zinc/44/40/94/721444094.db2.gz NFJOXUCFBKGRKI-LAUBAEHRSA-N 1 1 482.963 3.095 20 0 JGADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164895422 721445075 /nfs/dbraw/zinc/44/50/75/721445075.db2.gz OWGHTEQLNISRQQ-OZXSUGGESA-N 1 1 451.615 3.129 20 0 JGADMO COc1ccc(Oc2cc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc(C)n2)cc1 ZINC001164892987 721445729 /nfs/dbraw/zinc/44/57/29/721445729.db2.gz INHCJTCZKPICSB-JYFHCDHNSA-N 1 1 467.614 3.351 20 0 JGADMO COc1ccc(Cc2c(C)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2C)cc1 ZINC001164893719 721446212 /nfs/dbraw/zinc/44/62/12/721446212.db2.gz KDRLEORRQUYQHU-LEAFIULHSA-N 1 1 479.669 3.458 20 0 JGADMO COc1ccc(Cc2c(C)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2C)cc1 ZINC001164893717 721446315 /nfs/dbraw/zinc/44/63/15/721446315.db2.gz KDRLEORRQUYQHU-LBNVMWSVSA-N 1 1 479.669 3.458 20 0 JGADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(Cl)(Cl)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164888985 721452986 /nfs/dbraw/zinc/45/29/86/721452986.db2.gz MWLUVHHTAKIBKP-IEBWSBKVSA-N 1 1 463.837 3.464 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164787590 721453086 /nfs/dbraw/zinc/45/30/86/721453086.db2.gz OSQJVLLMDMZSKR-FQEVSTJZSA-N 1 1 468.598 3.135 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164783981 721459461 /nfs/dbraw/zinc/45/94/61/721459461.db2.gz GPSTZWWKOQMSRE-HXUWFJFHSA-N 1 1 459.635 3.195 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164790046 721460020 /nfs/dbraw/zinc/46/00/20/721460020.db2.gz ZFULCHFDGXRZEF-QFIPXVFZSA-N 1 1 458.647 3.344 20 0 JGADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)nc(-c3ccccc3)n1)CC2 ZINC001164786874 721462431 /nfs/dbraw/zinc/46/24/31/721462431.db2.gz QCZCCNARJQGLFL-JOCHJYFZSA-N 1 1 467.614 3.281 20 0 JGADMO CCOC(=O)c1cc2ccc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)[nH]c-2n1 ZINC001164782743 721463079 /nfs/dbraw/zinc/46/30/79/721463079.db2.gz BIDOFYWMLZNCIJ-OAQYLSRUSA-N 1 1 470.614 3.474 20 0 JGADMO CCOC(=O)c1cc2ccc(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)nc2[nH]1 ZINC001164782743 721463082 /nfs/dbraw/zinc/46/30/82/721463082.db2.gz BIDOFYWMLZNCIJ-OAQYLSRUSA-N 1 1 470.614 3.474 20 0 JGADMO CCOC(=O)c1cc2ccc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)nc2[nH]1 ZINC001164782743 721463084 /nfs/dbraw/zinc/46/30/84/721463084.db2.gz BIDOFYWMLZNCIJ-OAQYLSRUSA-N 1 1 470.614 3.474 20 0 JGADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@@H](COCC5CC5)[N@H+](CCOC)C4)CC3)[nH]cc1-2 ZINC001164791336 721465189 /nfs/dbraw/zinc/46/51/89/721465189.db2.gz XEAJCQAHOOSMPW-FQEVSTJZSA-N 1 1 470.614 3.474 20 0 JGADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)[nH]cc1-2 ZINC001164791336 721465190 /nfs/dbraw/zinc/46/51/90/721465190.db2.gz XEAJCQAHOOSMPW-FQEVSTJZSA-N 1 1 470.614 3.474 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164786596 721466983 /nfs/dbraw/zinc/46/69/83/721466983.db2.gz BTUAVGZGGXYZTL-NRFANRHFSA-N 1 1 483.613 3.364 20 0 JGADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164788190 721468213 /nfs/dbraw/zinc/46/82/13/721468213.db2.gz IMEKIRCXZBRBBK-SFHVURJKSA-N 1 1 474.980 3.331 20 0 JGADMO c1ccc(CN2CCc3nc(N(C[C@@H]4OC[C@@H]5CC[NH2+]C[C@H]54)c4ncccn4)ccc3C2)cc1 ZINC001164793273 721484299 /nfs/dbraw/zinc/48/42/99/721484299.db2.gz UBTWRSPIHGKRFD-ARNLJNQMSA-N 1 1 456.594 3.193 20 0 JGADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)CC2 ZINC001164795038 721500667 /nfs/dbraw/zinc/50/06/67/721500667.db2.gz BHPPQJVLLQDYIM-UHFFFAOYSA-N 1 1 470.017 3.483 20 0 JGADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900725 721524394 /nfs/dbraw/zinc/52/43/94/721524394.db2.gz UIWGYYBYZHEOEH-FPOVZHCZSA-N 1 1 493.564 3.149 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164800661 721529535 /nfs/dbraw/zinc/52/95/35/721529535.db2.gz DAUFSHBPVWIEDB-BZSNNMDCSA-N 1 1 481.931 3.115 20 0 JGADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164800661 721529537 /nfs/dbraw/zinc/52/95/37/721529537.db2.gz DAUFSHBPVWIEDB-BZSNNMDCSA-N 1 1 481.931 3.115 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2c1 ZINC001164807167 721532166 /nfs/dbraw/zinc/53/21/66/721532166.db2.gz PVRZREMKPRMARQ-PCCBWWKXSA-N 1 1 467.957 3.333 20 0 JGADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2c1 ZINC001164807167 721532170 /nfs/dbraw/zinc/53/21/70/721532170.db2.gz PVRZREMKPRMARQ-PCCBWWKXSA-N 1 1 467.957 3.333 20 0 JGADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CC[N@H+]3C2)c1 ZINC001164903071 721541440 /nfs/dbraw/zinc/54/14/40/721541440.db2.gz BZTAQFABVHXUOR-PZJWPPBQSA-N 1 1 462.504 3.495 20 0 JGADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906925 721546930 /nfs/dbraw/zinc/54/69/30/721546930.db2.gz LVPKSZVRLJDABC-IEBWSBKVSA-N 1 1 470.545 3.334 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3COC(=O)C(C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164802445 721554750 /nfs/dbraw/zinc/55/47/50/721554750.db2.gz IQNVFSYQHPMOFQ-BHDDXSALSA-N 1 1 478.597 3.241 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3COC(=O)C(C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164802449 721555140 /nfs/dbraw/zinc/55/51/40/721555140.db2.gz IQNVFSYQHPMOFQ-VSKRKVRLSA-N 1 1 478.597 3.241 20 0 JGADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907240 721555606 /nfs/dbraw/zinc/55/56/06/721555606.db2.gz MYLRPCPDDRUIQR-ICSRJNTNSA-N 1 1 462.591 3.030 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801439 721555610 /nfs/dbraw/zinc/55/56/10/721555610.db2.gz GPSZIEKKRFVSSM-HKBOAZHASA-N 1 1 467.957 3.333 20 0 JGADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801439 721555611 /nfs/dbraw/zinc/55/56/11/721555611.db2.gz GPSZIEKKRFVSSM-HKBOAZHASA-N 1 1 467.957 3.333 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3Cc2ccccc2F)[C@@H]2CCCO[C@@H]12 ZINC001164808098 721563169 /nfs/dbraw/zinc/56/31/69/721563169.db2.gz UNRZFQXEFCWMPJ-CQOQZXRMSA-N 1 1 473.556 3.277 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ncn3Cc2ccccc2F)[C@@H]2CCCO[C@@H]12 ZINC001164808098 721563176 /nfs/dbraw/zinc/56/31/76/721563176.db2.gz UNRZFQXEFCWMPJ-CQOQZXRMSA-N 1 1 473.556 3.277 20 0 JGADMO COC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)[nH]c(Cl)cc-2n1 ZINC001164801708 721568449 /nfs/dbraw/zinc/56/84/49/721568449.db2.gz HCIZQEHOXHTYNX-DYXWJJEUSA-N 1 1 455.946 3.266 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164803052 721572998 /nfs/dbraw/zinc/57/29/98/721572998.db2.gz JGPWRSXUJWFQMK-QYZOEREBSA-N 1 1 466.916 3.330 20 0 JGADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164803052 721573001 /nfs/dbraw/zinc/57/30/01/721573001.db2.gz JGPWRSXUJWFQMK-QYZOEREBSA-N 1 1 466.916 3.330 20 0 JGADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164806821 721579625 /nfs/dbraw/zinc/57/96/25/721579625.db2.gz NAQBTBMEAJGRAT-XLGIIRLISA-N 1 1 459.550 3.178 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164806821 721579628 /nfs/dbraw/zinc/57/96/28/721579628.db2.gz NAQBTBMEAJGRAT-XLGIIRLISA-N 1 1 459.550 3.178 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)c1 ZINC001164808091 721584369 /nfs/dbraw/zinc/58/43/69/721584369.db2.gz PVLHMJZLKVAFQG-MVERNJQCSA-N 1 1 461.566 3.424 20 0 JGADMO COc1ccc(OC)c(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)c1 ZINC001164808091 721584373 /nfs/dbraw/zinc/58/43/73/721584373.db2.gz PVLHMJZLKVAFQG-MVERNJQCSA-N 1 1 461.566 3.424 20 0 JGADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164801877 721585213 /nfs/dbraw/zinc/58/52/13/721585213.db2.gz GCAFJULQBPASRD-BXTSTYNKSA-N 1 1 485.636 3.066 20 0 JGADMO COC(=O)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c2ccccc2c1OC ZINC001164807675 721585314 /nfs/dbraw/zinc/58/53/14/721585314.db2.gz PHFBJPSHMDIELV-HFMPRLQTSA-N 1 1 462.550 3.293 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)cc1 ZINC001164809452 721587830 /nfs/dbraw/zinc/58/78/30/721587830.db2.gz SEEILWZRWUUBAZ-GNKBHMEESA-N 1 1 474.609 3.385 20 0 JGADMO COc1ccc(CN(C)c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)cc1 ZINC001164809452 721587831 /nfs/dbraw/zinc/58/78/31/721587831.db2.gz SEEILWZRWUUBAZ-GNKBHMEESA-N 1 1 474.609 3.385 20 0 JGADMO FC1(F)CCN(c2nc(Cl)cc(O[C@H]3CCOC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911741 721737296 /nfs/dbraw/zinc/73/72/96/721737296.db2.gz KAQWQRBKTHVOMW-UWJYYQICSA-N 1 1 465.932 3.430 20 0 JGADMO O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001165012702 721753463 /nfs/dbraw/zinc/75/34/63/721753463.db2.gz GTHDTCFPTPPUGB-DNVJHFABSA-N 1 1 484.044 3.316 20 0 JGADMO Clc1ccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164911984 721768462 /nfs/dbraw/zinc/76/84/62/721768462.db2.gz JAHLQNXAUZBSAR-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1ccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164911984 721768472 /nfs/dbraw/zinc/76/84/72/721768472.db2.gz JAHLQNXAUZBSAR-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)c2c1C ZINC001165023759 721777052 /nfs/dbraw/zinc/77/70/52/721777052.db2.gz UUPMYYNGQGDTKM-FQRUVTKNSA-N 1 1 499.681 3.138 20 0 JGADMO Clc1cccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164917581 721782221 /nfs/dbraw/zinc/78/22/21/721782221.db2.gz YFEIKGZAEYTNKW-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164917581 721782227 /nfs/dbraw/zinc/78/22/27/721782227.db2.gz YFEIKGZAEYTNKW-JOCHJYFZSA-N 1 1 460.365 3.439 20 0 JGADMO Clc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(-c2ccccc2)n1 ZINC001164915751 721796916 /nfs/dbraw/zinc/79/69/16/721796916.db2.gz ZFQUZLVTQGIVHL-XMMPIXPASA-N 1 1 451.958 3.300 20 0 JGADMO Clc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(-c2ccccc2)n1 ZINC001164915751 721796918 /nfs/dbraw/zinc/79/69/18/721796918.db2.gz ZFQUZLVTQGIVHL-XMMPIXPASA-N 1 1 451.958 3.300 20 0 JGADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C[C@@H]21 ZINC001165025891 721810725 /nfs/dbraw/zinc/81/07/25/721810725.db2.gz OCZKRNMYDBHWKN-RZTXVSJASA-N 1 1 456.594 3.495 20 0 JGADMO CCOC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)CC1 ZINC001165026448 721817642 /nfs/dbraw/zinc/81/76/42/721817642.db2.gz QMCLIIMGXSOYDO-OEMFJLHTSA-N 1 1 478.641 3.388 20 0 JGADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)C1 ZINC001165025155 721824223 /nfs/dbraw/zinc/82/42/23/721824223.db2.gz MCAWUFDSIKXTCT-DVKRWUGUSA-N 1 1 478.641 3.388 20 0 JGADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)C2)cc1 ZINC001164925715 721838868 /nfs/dbraw/zinc/83/88/68/721838868.db2.gz POHBXEKFVXOZKD-WXVAWEFUSA-N 1 1 457.578 3.100 20 0 JGADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)C2)cc1 ZINC001164925715 721838871 /nfs/dbraw/zinc/83/88/71/721838871.db2.gz POHBXEKFVXOZKD-WXVAWEFUSA-N 1 1 457.578 3.100 20 0 JGADMO Fc1cnc(N2CCOC[C@@]3(CCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C3)C2)nc1 ZINC001164920491 721846016 /nfs/dbraw/zinc/84/60/16/721846016.db2.gz JPEWFQJNORVMLH-HHHXNRCGSA-N 1 1 489.599 3.087 20 0 JGADMO Fc1cnc(N2CCOC[C@@]3(CCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C3)C2)nc1 ZINC001164920491 721846017 /nfs/dbraw/zinc/84/60/17/721846017.db2.gz JPEWFQJNORVMLH-HHHXNRCGSA-N 1 1 489.599 3.087 20 0 JGADMO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001165035346 721875508 /nfs/dbraw/zinc/87/55/08/721875508.db2.gz UOKOLSXUBZBXOM-FUHWJXTLSA-N 1 1 485.654 3.060 20 0 JGADMO COc1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(N2CCCCCC2)n1 ZINC001164939690 721930569 /nfs/dbraw/zinc/93/05/69/721930569.db2.gz OOLRPJYHUXXXCX-UHFFFAOYSA-N 1 1 466.630 3.440 20 0 JGADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164945222 721941500 /nfs/dbraw/zinc/94/15/00/721941500.db2.gz TWWJDQWMXCGKSR-IZZNHLLZSA-N 1 1 459.594 3.334 20 0 JGADMO CN(C)C(=O)c1cc2cnc(N3CC[NH+](CCOc4ccccc4)CC3)nc2n1C1CCCC1 ZINC001165044200 721956276 /nfs/dbraw/zinc/95/62/76/721956276.db2.gz JDHRWHJFPQDVLY-UHFFFAOYSA-N 1 1 462.598 3.449 20 0 JGADMO COc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944555 721973884 /nfs/dbraw/zinc/97/38/84/721973884.db2.gz KSEIFHRICDVYNU-UHFFFAOYSA-N 1 1 451.958 3.263 20 0 JGADMO COc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944555 721973886 /nfs/dbraw/zinc/97/38/86/721973886.db2.gz KSEIFHRICDVYNU-UHFFFAOYSA-N 1 1 451.958 3.263 20 0 JGADMO O=C1NCCN(Cc2ccccc2)C12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164945756 721974819 /nfs/dbraw/zinc/97/48/19/721974819.db2.gz FRLJIXBZALPHQV-UHFFFAOYSA-N 1 1 466.589 3.451 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1 ZINC001164947699 721977617 /nfs/dbraw/zinc/97/76/17/721977617.db2.gz QSYADSYNLVGJGS-UHFFFAOYSA-N 1 1 493.995 3.431 20 0 JGADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1 ZINC001164947699 721977618 /nfs/dbraw/zinc/97/76/18/721977618.db2.gz QSYADSYNLVGJGS-UHFFFAOYSA-N 1 1 493.995 3.431 20 0 JGADMO CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164951380 721985006 /nfs/dbraw/zinc/98/50/06/721985006.db2.gz YSJRSFKLYGGDJQ-WMZOPIPTSA-N 1 1 475.684 3.026 20 0 JGADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)n1 ZINC001164948150 721985065 /nfs/dbraw/zinc/98/50/65/721985065.db2.gz DVMAOKNAZRTFLP-SJORKVTESA-N 1 1 451.662 3.010 20 0 JGADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@H]32)n1 ZINC001164952376 721985961 /nfs/dbraw/zinc/98/59/61/721985961.db2.gz OZIUIWNJCQDKSF-PKOBYXMFSA-N 1 1 471.652 3.280 20 0 JGADMO O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164952939 721991243 /nfs/dbraw/zinc/99/12/43/721991243.db2.gz RLAXWGKAAQZGEW-YIXXDRMTSA-N 1 1 496.677 3.240 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C3)C[C@@H](NC(=O)N(C)C)CCO4)c2c1C ZINC001164955332 722010165 /nfs/dbraw/zinc/01/01/65/722010165.db2.gz USDWRKCMKQGHMD-UUOWRZLLSA-N 1 1 472.659 3.303 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C[C@@H](C(=O)N5CCOCC5)CO4)CC3)c2c1C ZINC001164965402 722045582 /nfs/dbraw/zinc/04/55/82/722045582.db2.gz XWWVBXYHCJCELB-HXUWFJFHSA-N 1 1 499.681 3.138 20 0 JGADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)nc1 ZINC001164958302 722045801 /nfs/dbraw/zinc/04/58/01/722045801.db2.gz MQYRQZCPQDOQET-GOTSBHOMSA-N 1 1 456.631 3.253 20 0 JGADMO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959970 722060451 /nfs/dbraw/zinc/06/04/51/722060451.db2.gz BBODJRZVGKPFSR-JOCHJYFZSA-N 1 1 485.938 3.449 20 0 JGADMO CC(=O)N1CCC[C@@]2(C1)CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164969788 722084034 /nfs/dbraw/zinc/08/40/34/722084034.db2.gz SSLCDLLQJJNPIG-RUZDIDTESA-N 1 1 469.655 3.384 20 0 JGADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164972144 722085333 /nfs/dbraw/zinc/08/53/33/722085333.db2.gz LEZVBKFEJLIQSF-JBACZVJFSA-N 1 1 497.684 3.012 20 0 JGADMO Cn1cc(N2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2=O)cn1 ZINC001164978710 722095543 /nfs/dbraw/zinc/09/55/43/722095543.db2.gz JDWAXCBPDDUSGK-FXAWDEMLSA-N 1 1 491.665 3.389 20 0 JGADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981642 722100163 /nfs/dbraw/zinc/10/01/63/722100163.db2.gz LUSSAUHRWQWPBW-IRLDBZIGSA-N 1 1 486.576 3.182 20 0 JGADMO O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980059 722103634 /nfs/dbraw/zinc/10/36/34/722103634.db2.gz JEBUEKLLJJGRKV-NOZRDPDXSA-N 1 1 457.578 3.134 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975466 722105096 /nfs/dbraw/zinc/10/50/96/722105096.db2.gz BVFQBGISJRPBFR-OALUTQOASA-N 1 1 478.975 3.397 20 0 JGADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975468 722105148 /nfs/dbraw/zinc/10/51/48/722105148.db2.gz BVFQBGISJRPBFR-RTBURBONSA-N 1 1 478.975 3.397 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164972599 722109262 /nfs/dbraw/zinc/10/92/62/722109262.db2.gz GDBHROVLSOBUPF-APWZRJJASA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164972602 722109315 /nfs/dbraw/zinc/10/93/15/722109315.db2.gz GDBHROVLSOBUPF-LPHOPBHVSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164971017 722113512 /nfs/dbraw/zinc/11/35/12/722113512.db2.gz BBTXJQSFLSRJRE-QFBILLFUSA-N 1 1 466.916 3.189 20 0 JGADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983661 722125318 /nfs/dbraw/zinc/12/53/18/722125318.db2.gz YXLPLNORPHHPEQ-AEFFLSMTSA-N 1 1 466.916 3.189 20 0 JGADMO CCOC(=O)c1cc2c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980405 722127412 /nfs/dbraw/zinc/12/74/12/722127412.db2.gz QZDAANSHFXQZNL-OFNKIYASSA-N 1 1 463.582 3.479 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164983821 722147235 /nfs/dbraw/zinc/14/72/35/722147235.db2.gz VJZWYBBLMAVRBY-GJZUVCINSA-N 1 1 473.577 3.427 20 0 JGADMO COc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c(OC)c1OC ZINC001164977975 722150987 /nfs/dbraw/zinc/15/09/87/722150987.db2.gz JAHYPWFHBUCGSE-HYBUGGRVSA-N 1 1 491.592 3.292 20 0 JGADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@H]3C2)c1 ZINC001164981561 722151201 /nfs/dbraw/zinc/15/12/01/722151201.db2.gz PJKWPACELFIBJJ-RPLLCQBOSA-N 1 1 486.620 3.103 20 0 JGADMO COC(=O)C1CCN(c2nccnc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001164994119 722204489 /nfs/dbraw/zinc/20/44/89/722204489.db2.gz GCZYBJUJLAVNKX-VWLOTQADSA-N 1 1 453.562 3.250 20 0 JGADMO COC(=O)C1CCN(c2nccnc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001164994117 722204539 /nfs/dbraw/zinc/20/45/39/722204539.db2.gz GCZYBJUJLAVNKX-RUZDIDTESA-N 1 1 453.562 3.250 20 0 JGADMO CC(=O)NCc1ncn2c1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CCC2 ZINC001164999749 722228466 /nfs/dbraw/zinc/22/84/66/722228466.db2.gz OUNFXQINHDDWGG-UHFFFAOYSA-N 1 1 479.654 3.409 20 0 JGADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(C(=O)c5cccn5C)CCO[C@H]4C3)c2c1C ZINC001165005639 722244277 /nfs/dbraw/zinc/24/42/77/722244277.db2.gz VHMHTAGHOWIJCM-FPOVZHCZSA-N 1 1 494.665 3.220 20 0 JGADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@H]3C2)nc1 ZINC001165006056 722244639 /nfs/dbraw/zinc/24/46/39/722244639.db2.gz WXXXCQZNLCKEOT-ZDXQCDESSA-N 1 1 451.615 3.335 20 0 JGADMO