smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 ZINC000000037714 180674326 /nfs/dbraw/zinc/67/43/26/180674326.db2.gz QAGVPBFVSRSBKZ-JTDSTZFVSA-N 0 0 320.392 4.085 10 10 DICERN Nc1ccc(Oc2nc(Cl)nc3c4ccccc4oc32)cc1 ZINC000073736318 191349705 /nfs/dbraw/zinc/34/97/05/191349705.db2.gz NKGKKADUUPBTBG-UHFFFAOYSA-N 0 0 311.728 4.404 10 10 DICERN CN(C)c1ccc([C@@H]2Nc3ccc(O)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000013643336 181872890 /nfs/dbraw/zinc/87/28/90/181872890.db2.gz RTRFCGKUSFKKDV-QKLQHJQFSA-N 0 0 306.409 4.285 10 10 DICERN CN(C)C(=O)c1cccc2c1N[C@@H](c1cccs1)[C@@H]1CC=C[C@H]21 ZINC000014548756 181957773 /nfs/dbraw/zinc/95/77/73/181957773.db2.gz VTLYVQJPHCIECN-RVZJWNSFSA-N 0 0 324.449 4.276 10 10 DICERN Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1O)[C@@H]1CC=C[C@H]21 ZINC000014473909 181954151 /nfs/dbraw/zinc/95/41/51/181954151.db2.gz HUIZLLOQBSFXSA-IQUTYRLHSA-N 0 0 322.364 4.435 10 10 DICERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2 ZINC000014473745 181954164 /nfs/dbraw/zinc/95/41/64/181954164.db2.gz XFOGLDNGKAHTKX-AUSJPIAWSA-N 0 0 305.377 4.421 10 10 DICERN CCc1ccc(NC(C)=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000017054984 182072529 /nfs/dbraw/zinc/07/25/29/182072529.db2.gz UFQXEKOMYZJTOO-XMHGGMMESA-N 0 0 319.408 4.358 10 10 DICERN CC(Nc1cc(C)cc(C)c1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000017054999 182072688 /nfs/dbraw/zinc/07/26/88/182072688.db2.gz SRWVYXYUEAJYLP-XDJHFCHBSA-N 0 0 319.408 4.412 10 10 DICERN CCc1ccccc1NC(C)=C1C(C)=NN(c2ccccc2)C1=O ZINC000017054993 182072692 /nfs/dbraw/zinc/07/26/92/182072692.db2.gz QLUXRSDZDOXYOC-XMHGGMMESA-N 0 0 319.408 4.358 10 10 DICERN CC(Nc1ccc(C)cc1)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000017056464 182073368 /nfs/dbraw/zinc/07/33/68/182073368.db2.gz KPKAXIBZQHJVRA-QGOAFFKASA-N 0 0 323.371 4.243 10 10 DICERN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N)cc2)cc1C ZINC000019846445 182156540 /nfs/dbraw/zinc/15/65/40/182156540.db2.gz FHQNQAFKLNUXIS-CYBMUJFWSA-N 0 0 300.427 4.005 10 10 DICERN Cc1ccc(N[C@@H](C)c2ccc(O)cc2O)c(Br)c1 ZINC000019901627 182162439 /nfs/dbraw/zinc/16/24/39/182162439.db2.gz JEDDMSOGBBNWKU-JTQLQIEISA-N 0 0 322.202 4.342 10 10 DICERN C[C@H](Nc1ccccc1Br)c1cc(O)ccc1O ZINC000019922749 182164412 /nfs/dbraw/zinc/16/44/12/182164412.db2.gz PGBZTRXUOLFOGI-VIFPVBQESA-N 0 0 308.175 4.033 10 10 DICERN CC[C@@H](Nc1cccnc1)c1cc(Br)ccc1O ZINC000019884375 182160728 /nfs/dbraw/zinc/16/07/28/182160728.db2.gz VTBOMOZRWYMYOH-CYBMUJFWSA-N 0 0 307.191 4.113 10 10 DICERN C[C@H](Nc1cccc(Br)c1)c1ccc(O)cc1O ZINC000019941771 182167788 /nfs/dbraw/zinc/16/77/88/182167788.db2.gz LPTCSIFCJKRYGP-VIFPVBQESA-N 0 0 308.175 4.033 10 10 DICERN Nc1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000020186854 182195390 /nfs/dbraw/zinc/19/53/90/182195390.db2.gz XKPNRUJOXHOLFW-UHFFFAOYSA-N 0 0 309.196 4.147 10 10 DICERN C[C@@H]1CCc2c(sc3ncnc(Oc4ccc(N)cc4)c23)C1 ZINC000020335811 182209145 /nfs/dbraw/zinc/20/91/45/182209145.db2.gz KYHLYNBUQSZLLB-SNVBAGLBSA-N 0 0 311.410 4.191 10 10 DICERN C[C@H](Oc1ccc(N)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000040354148 183056293 /nfs/dbraw/zinc/05/62/93/183056293.db2.gz MGULSWCWORMELW-VIFPVBQESA-N 0 0 310.180 4.226 10 10 DICERN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(N)cc2)c2ccccc12 ZINC000040354180 183056434 /nfs/dbraw/zinc/05/64/34/183056434.db2.gz CGPVPCSAFDQJPQ-CQSZACIVSA-N 0 0 305.377 4.381 10 10 DICERN CCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000040570550 183103698 /nfs/dbraw/zinc/10/36/98/183103698.db2.gz PPAZJNIVCRIHEY-ZROIWOOFSA-N 0 0 316.451 4.169 10 10 DICERN CN(C)c1ccc(C=C2CCCc3c2n[nH]c3C(F)(F)F)cc1 ZINC000043463911 183364814 /nfs/dbraw/zinc/36/48/14/183364814.db2.gz KEPPMDMVYNXKQQ-ZRDIBKRKSA-N 0 0 321.346 4.371 10 10 DICERN Nc1nc(-c2ccco2)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1 ZINC000106106825 194186413 /nfs/dbraw/zinc/18/64/13/194186413.db2.gz MYMVWQMZYRNILI-WUKNDPDISA-N 0 0 315.314 4.309 10 10 DICERN Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21 ZINC000059267197 184136143 /nfs/dbraw/zinc/13/61/43/184136143.db2.gz UDEJMUPWFWOMJX-QWQRMKEZSA-N 0 0 307.353 4.125 10 10 DICERN O=C1c2c(O)c3ccccc3c(Cl)c2C(=O)[C@@H]2CC=CC[C@@H]12 ZINC000000044165 563211754 /nfs/dbraw/zinc/21/17/54/563211754.db2.gz BCQJUUDWYRSWHD-VXGBXAGGSA-N 0 0 312.752 4.160 10 10 DICERN CCOc1cccc(C[N@H+](Cc2cccc(F)c2[O-])C2CC2)c1 ZINC000055133738 563472096 /nfs/dbraw/zinc/47/20/96/563472096.db2.gz VVXRVOWYTUZNER-UHFFFAOYSA-N 0 0 315.388 4.095 10 10 DICERN Nc1ccc(Oc2ncc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000090599649 185305701 /nfs/dbraw/zinc/30/57/01/185305701.db2.gz HFLAQWGNOHMMAQ-UHFFFAOYSA-N 0 0 322.208 4.494 10 10 DICERN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000004151336 181079006 /nfs/dbraw/zinc/07/90/06/181079006.db2.gz QAGVPBFVSRSBKZ-MDZRGWNJSA-N 0 0 320.392 4.085 10 10 DICERN COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000006954258 181428485 /nfs/dbraw/zinc/42/84/85/181428485.db2.gz DTESZWMJUGQZQJ-CKFHNAJUSA-N 0 0 322.364 4.430 10 10 DICERN O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000014551261 181959060 /nfs/dbraw/zinc/95/90/60/181959060.db2.gz GZHCMTHTROCSLL-GRDNDAEWSA-N 0 0 308.337 4.127 10 10 DICERN NC(=O)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000014465916 181953655 /nfs/dbraw/zinc/95/36/55/181953655.db2.gz JIVRBXHVRLVKMG-NVGCLXPQSA-N 0 0 324.811 4.265 10 10 DICERN Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21 ZINC000014473905 181954302 /nfs/dbraw/zinc/95/43/02/181954302.db2.gz HUIZLLOQBSFXSA-CKFHNAJUSA-N 0 0 322.364 4.435 10 10 DICERN CNC(=O)c1cccc2c1N[C@H](c1ccccc1C)[C@@H]1CC=C[C@H]21 ZINC000014478938 181954857 /nfs/dbraw/zinc/95/48/57/181954857.db2.gz OMOBUABUUYYDFQ-FRQCXROJSA-N 0 0 318.420 4.181 10 10 DICERN C[C@H](Nc1ccc(Br)cc1F)c1ccccc1O ZINC000019907987 182163131 /nfs/dbraw/zinc/16/31/31/182163131.db2.gz IARDOUZJXNBNDI-VIFPVBQESA-N 0 0 310.166 4.467 10 10 DICERN COc1cc(Cl)c(C)cc1N[C@@H](C)c1ccc(O)cc1O ZINC000020024673 182180369 /nfs/dbraw/zinc/18/03/69/182180369.db2.gz GFVZUAUAGTWSAE-JTQLQIEISA-N 0 0 307.777 4.241 10 10 DICERN CC[C@H](Nc1cccc(O)c1)c1cc(Br)ccc1O ZINC000020193691 182195889 /nfs/dbraw/zinc/19/58/89/182195889.db2.gz CZIZKEMDIKJBCZ-AWEZNQCLSA-N 0 0 322.202 4.424 10 10 DICERN Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 ZINC000059267202 184136464 /nfs/dbraw/zinc/13/64/64/184136464.db2.gz KUIVETCXSLFXSG-RKVPGOIHSA-N 0 0 307.353 4.125 10 10 DICERN CCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 ZINC000066129586 184391342 /nfs/dbraw/zinc/39/13/42/184391342.db2.gz BTROQEXXGGZBPG-IBGZPJMESA-N 0 0 323.440 4.119 10 10 DICERN COc1ccc(O)c([C@H](C)Nc2cccc(-c3cnco3)c2)c1 ZINC000193910223 337080512 /nfs/dbraw/zinc/08/05/12/337080512.db2.gz VPYZGAARFWPBLA-LBPRGKRZSA-N 0 0 310.353 4.229 10 10 DICERN C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1O ZINC000183489000 337191889 /nfs/dbraw/zinc/19/18/89/337191889.db2.gz QKOJHDMBEJGQDM-YWZLYKJASA-N 0 0 304.393 4.227 10 10 DICERN C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1[O-] ZINC000185335577 337204266 /nfs/dbraw/zinc/20/42/66/337204266.db2.gz MITFQKGTIMFOFR-VBKZILBWSA-N 0 0 322.383 4.367 10 10 DICERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)CCCC(=O)N3)c(O)c1 ZINC000186445370 337256180 /nfs/dbraw/zinc/25/61/80/337256180.db2.gz HCCKKSIKQVTSKZ-CYBMUJFWSA-N 0 0 310.397 4.149 10 10 DICERN CN(C)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1 ZINC000100027661 563545157 /nfs/dbraw/zinc/54/51/57/563545157.db2.gz LNIGBQNXJNNICD-WUKNDPDISA-N 0 0 321.178 4.031 10 10 DICERN O=C1c2c(Cl)c3ccccc3c(O)c2C(=O)[C@H]2CC=CC[C@@H]12 ZINC000108218115 563715566 /nfs/dbraw/zinc/71/55/66/563715566.db2.gz BCQJUUDWYRSWHD-NEPJUHHUSA-N 0 0 312.752 4.160 10 10 DICERN Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@H]21 ZINC000004450179 181109683 /nfs/dbraw/zinc/10/96/83/181109683.db2.gz UDEJMUPWFWOMJX-SUNYJGFJSA-N 0 0 307.353 4.125 10 10 DICERN CC(C)C(=O)Nc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1 ZINC000006710803 181375836 /nfs/dbraw/zinc/37/58/36/181375836.db2.gz OXQWBOCRXCTGQZ-UHFFFAOYSA-N 0 0 323.396 4.155 10 10 DICERN COc1cccc([C@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)c1 ZINC000006954600 181428579 /nfs/dbraw/zinc/42/85/79/181428579.db2.gz UYOFIZBMWGYAKB-RLFYNMQTSA-N 0 0 322.364 4.430 10 10 DICERN COc1ccc(OC)c2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@@H]21 ZINC000013636925 181871287 /nfs/dbraw/zinc/87/12/87/181871287.db2.gz WIOSTTKPIRXLNH-VCBZYWHSSA-N 0 0 323.392 4.236 10 10 DICERN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2 ZINC000013636997 181871490 /nfs/dbraw/zinc/87/14/90/181871490.db2.gz XUWSWYZBVAMUFX-RLFYNMQTSA-N 0 0 308.337 4.127 10 10 DICERN O=[N+]([O-])c1cccc([C@@H]2Nc3c(O)cccc3[C@H]3C=CC[C@@H]32)c1 ZINC000014471698 181954165 /nfs/dbraw/zinc/95/41/65/181954165.db2.gz BRLIUTBDLQYAQX-ZQIUZPCESA-N 0 0 308.337 4.127 10 10 DICERN Cc1c2c(ccc1[N+](=O)[O-])[C@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2 ZINC000014473899 181954203 /nfs/dbraw/zinc/95/42/03/181954203.db2.gz YHAPGVBQHVMQMT-QUJCMNEKSA-N 0 0 322.364 4.435 10 10 DICERN Cc1cccc([C@H]2Nc3c(O)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1 ZINC000014479925 181955363 /nfs/dbraw/zinc/95/53/63/181955363.db2.gz DZDYKJFVUDTXTI-RLFYNMQTSA-N 0 0 322.364 4.435 10 10 DICERN Cc1ccc(C)c(S[C@H](C)C(=O)Nc2ccc(N)cc2)c1 ZINC000019846547 182156822 /nfs/dbraw/zinc/15/68/22/182156822.db2.gz HNDPPJLAENFBGM-CYBMUJFWSA-N 0 0 300.427 4.005 10 10 DICERN CC[C@@H](Nc1cccc(O)c1)c1cc(Br)ccc1O ZINC000020193687 182196315 /nfs/dbraw/zinc/19/63/15/182196315.db2.gz CZIZKEMDIKJBCZ-CQSZACIVSA-N 0 0 322.202 4.424 10 10 DICERN CCc1ccc(O)c([C@H]2CC(c3ccc(Cl)cc3)=NN2)c1 ZINC000020390275 182213686 /nfs/dbraw/zinc/21/36/86/182213686.db2.gz DFCDGUKPCOSEAS-MRXNPFEDSA-N 0 0 300.789 4.047 10 10 DICERN COc1cc(Cl)c(C)cc1NCc1ccc(N(C)C)cc1 ZINC000021515191 182277443 /nfs/dbraw/zinc/27/74/43/182277443.db2.gz GHVSBFBVGVAPOY-UHFFFAOYSA-N 0 0 304.821 4.335 10 10 DICERN Nc1ccc(OC[C@H](O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000040352102 183056325 /nfs/dbraw/zinc/05/63/25/183056325.db2.gz IEDUYZJPLXIDEI-FQEVSTJZSA-N 0 0 311.425 4.429 10 10 DICERN C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(F)cc1[O-] ZINC000062747477 184252258 /nfs/dbraw/zinc/25/22/58/184252258.db2.gz KXCNEUPNDGGYHH-GRZMOONWSA-N 0 0 305.315 4.303 10 10 DICERN O=C1c2ccccc2N[C@@H](c2ccccc2O)N1c1ccccc1 ZINC000005589739 134421771 /nfs/dbraw/zinc/42/17/71/134421771.db2.gz DFBUSVWGRNKMKP-LJQANCHMSA-N 0 0 316.360 4.163 10 10 DICERN Cc1ccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)c(O)c1 ZINC000186048737 337253121 /nfs/dbraw/zinc/25/31/21/337253121.db2.gz VNGNYCYELITIKW-HNNXBMFYSA-N 0 0 319.408 4.008 10 10 DICERN O=C1N=C(N2CCCCCC2)S/C1=C\C=C\c1ccccc1 ZINC000048512972 563466569 /nfs/dbraw/zinc/46/65/69/563466569.db2.gz WAKXYGXFBFHIBY-NJAVVXAXSA-N 0 0 312.438 4.089 10 10 DICERN CCC(=O)C(CCCCCCc1ccc(O)c(O)c1)=C(O)CC ZINC000138204059 186014751 /nfs/dbraw/zinc/01/47/51/186014751.db2.gz QXAUITFRSUEYOR-UHFFFAOYSA-N 0 0 320.429 4.165 10 10 DICERN CC/C(=C(/CC)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 ZINC000004655383 181132739 /nfs/dbraw/zinc/13/27/39/181132739.db2.gz BMZDNFTWCWJBFC-BUHFOSPRSA-N 0 0 300.354 4.240 10 10 in-vitro DICERN O=C1C=CC(Br)=CC1=NNc1cccc([N+](=O)[O-])c1 ZINC000005714330 181275784 /nfs/dbraw/zinc/27/57/84/181275784.db2.gz JBKCMAPCWWWLLG-CCEZHUSRSA-N 0 0 322.118 4.478 10 10 DICERN CC(=O)C1=CSC(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000090759376 192929290 /nfs/dbraw/zinc/92/92/90/192929290.db2.gz NBKREBMYXMAQEJ-UHFFFAOYSA-N 0 0 302.273 4.222 10 10 DICERN CCC(=O)NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000014004226 181919307 /nfs/dbraw/zinc/91/93/07/181919307.db2.gz HQZDFGSJPWMXLM-FMQUCBEESA-N 0 0 312.398 4.325 10 10 DICERN Cc1c2c(ccc1[N+](=O)[O-])[C@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000014547242 181957880 /nfs/dbraw/zinc/95/78/80/181957880.db2.gz LAPDLZRJKFNYHJ-IYOUNJFTSA-N 0 0 307.353 4.125 10 10 DICERN COc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1O ZINC000014457209 181952795 /nfs/dbraw/zinc/95/27/95/181952795.db2.gz CALLSPZNLABKMG-JCGVRSQUSA-N 0 0 311.356 4.366 10 10 DICERN COc1cc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)ccc1O ZINC000014458915 181953288 /nfs/dbraw/zinc/95/32/88/181953288.db2.gz OUTVZWMMMZIIAF-NJSLBKSFSA-N 0 0 311.356 4.366 10 10 DICERN CCc1ccc(C=C2SC(Nc3cccc(O)c3)=NC2=O)cc1 ZINC000016904679 182063818 /nfs/dbraw/zinc/06/38/18/182063818.db2.gz ICWZAMMCVBNBLY-YBEGLDIGSA-N 0 0 324.405 4.037 10 10 DICERN Cc1ccc(SCCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000019846205 182156459 /nfs/dbraw/zinc/15/64/59/182156459.db2.gz JYNNDFROQXNQRT-UHFFFAOYSA-N 0 0 300.427 4.088 10 10 DICERN Cc1cc(N[C@@H](C)c2cc(O)ccc2O)ccc1Br ZINC000019908134 182162951 /nfs/dbraw/zinc/16/29/51/182162951.db2.gz QWAPAUIEWNUJBD-JTQLQIEISA-N 0 0 322.202 4.342 10 10 DICERN Oc1ccc(Cl)cc1CNc1ccccc1Br ZINC000019922774 182164528 /nfs/dbraw/zinc/16/45/28/182164528.db2.gz LWLNDZMXKUVTAY-UHFFFAOYSA-N 0 0 312.594 4.420 10 10 DICERN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000019846277 182156846 /nfs/dbraw/zinc/15/68/46/182156846.db2.gz ACQVHDCLAZDSTO-ZDUSSCGKSA-N 0 0 300.427 4.005 10 10 DICERN COc1cc(Cl)c(C)cc1N[C@H](C)c1ccc(O)cc1O ZINC000020024676 182180276 /nfs/dbraw/zinc/18/02/76/182180276.db2.gz GFVZUAUAGTWSAE-SNVBAGLBSA-N 0 0 307.777 4.241 10 10 DICERN Nc1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000020186858 182195493 /nfs/dbraw/zinc/19/54/93/182195493.db2.gz XCNAHFRHSMNNOW-UHFFFAOYSA-N 0 0 309.196 4.147 10 10 DICERN Cc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccco2)o1 ZINC000035678281 182785832 /nfs/dbraw/zinc/78/58/32/182785832.db2.gz QORPOQORLWIBDH-VBKFSLOCSA-N 0 0 318.332 4.016 10 10 DICERN Cc1[nH]c2ccccc2c1/C=C1/C(C)=NN(c2ccccc2)C1=O ZINC000040570654 183103942 /nfs/dbraw/zinc/10/39/42/183103942.db2.gz YLJSLSDWKBLULE-PDGQHHTCSA-N 0 0 315.376 4.282 10 10 DICERN Cc1ccc(O)c([C@@H](C)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000186037313 333216738 /nfs/dbraw/zinc/21/67/38/333216738.db2.gz SCHLDAYJGWJOAF-WBMJQRKESA-N 0 0 315.417 4.009 10 10 DICERN CC[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1O ZINC000186412653 337255990 /nfs/dbraw/zinc/25/59/90/337255990.db2.gz DMLLLLQCMWSWCW-GOSISDBHSA-N 0 0 319.408 4.090 10 10 DICERN Cc1ccc(/C=C2/C(=O)N(c3ccc(F)c(Cl)c3)N=C2C)o1 ZINC000001411782 563283526 /nfs/dbraw/zinc/28/35/26/563283526.db2.gz KQWBWBMXBXJUBG-MDWZMJQESA-N 0 0 318.735 4.187 10 10 DICERN Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004095377 181072573 /nfs/dbraw/zinc/07/25/73/181072573.db2.gz GYXARPDYRNLEGN-MPGHIAIKSA-N 0 0 307.353 4.004 10 10 DICERN Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004095376 181072819 /nfs/dbraw/zinc/07/28/19/181072819.db2.gz GYXARPDYRNLEGN-RLFYNMQTSA-N 0 0 307.353 4.004 10 10 DICERN Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004095375 181072846 /nfs/dbraw/zinc/07/28/46/181072846.db2.gz GYXARPDYRNLEGN-HDMKZQKVSA-N 0 0 307.353 4.004 10 10 DICERN O=C1N=C(Nc2ccccc2Cl)SC1=Cc1ccco1 ZINC000006110370 181313116 /nfs/dbraw/zinc/31/31/16/181313116.db2.gz RHGMYWGGRGAMLL-WQLSENKSSA-N 0 0 304.758 4.015 10 10 DICERN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000006954282 181428488 /nfs/dbraw/zinc/42/84/88/181428488.db2.gz DTESZWMJUGQZQJ-IQUTYRLHSA-N 0 0 322.364 4.430 10 10 DICERN CN(C)c1ccc([C@H]2Nc3ccc(O)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000013643333 181872535 /nfs/dbraw/zinc/87/25/35/181872535.db2.gz RTRFCGKUSFKKDV-SQGPQFPESA-N 0 0 306.409 4.285 10 10 DICERN CN(C)C(=O)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21 ZINC000014548753 181957875 /nfs/dbraw/zinc/95/78/75/181957875.db2.gz VTLYVQJPHCIECN-IAISJRAMSA-N 0 0 324.449 4.276 10 10 DICERN CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000014551677 181959248 /nfs/dbraw/zinc/95/92/48/181959248.db2.gz LPGQKSSZWDZGQW-HLIPFELVSA-N 0 0 318.420 4.215 10 10 DICERN COc1cccc([C@@H]2Nc3c(O)ccc(C)c3[C@H]3C=CC[C@@H]32)c1O ZINC000014459655 181953360 /nfs/dbraw/zinc/95/33/60/181953360.db2.gz IGMANNZFQCMCCN-ZJNRKIDTSA-N 0 0 323.392 4.241 10 10 DICERN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21 ZINC000014473860 181954113 /nfs/dbraw/zinc/95/41/13/181954113.db2.gz LQYPDQIJGHHAIW-WTOJCKNJSA-N 0 0 322.364 4.435 10 10 DICERN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(O)cccc2[C@H]2C=CC[C@H]21 ZINC000014478023 181954704 /nfs/dbraw/zinc/95/47/04/181954704.db2.gz JBNSHLSBZFBBFZ-XWCIJXRUSA-N 0 0 308.337 4.127 10 10 DICERN Cc1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000014478015 181954964 /nfs/dbraw/zinc/95/49/64/181954964.db2.gz YKKFVZCIZQFLGK-ZJNRKIDTSA-N 0 0 322.364 4.435 10 10 DICERN Cc1ccc(C)c(SCCC(=O)Nc2ccc(N)cc2)c1 ZINC000019846558 182156648 /nfs/dbraw/zinc/15/66/48/182156648.db2.gz MNXITWMQMLIXMC-UHFFFAOYSA-N 0 0 300.427 4.007 10 10 DICERN Cc1cc(Br)ccc1N[C@@H](C)c1cc(O)ccc1O ZINC000019905627 182163295 /nfs/dbraw/zinc/16/32/95/182163295.db2.gz CAKQYAUTVOLONH-JTQLQIEISA-N 0 0 322.202 4.342 10 10 DICERN CN(C)c1ccc(CNc2ccc(Br)cc2F)cc1 ZINC000019907936 182163330 /nfs/dbraw/zinc/16/33/30/182163330.db2.gz NSJGXBIITTYDAI-UHFFFAOYSA-N 0 0 323.209 4.266 10 10 DICERN C[C@@H](Nc1ccccc1Br)c1cc(O)ccc1O ZINC000019922746 182164388 /nfs/dbraw/zinc/16/43/88/182164388.db2.gz PGBZTRXUOLFOGI-SECBINFHSA-N 0 0 308.175 4.033 10 10 DICERN O=C1N=C(Nc2cccc(F)c2)SC1=CC=Cc1ccco1 ZINC000027230140 182466051 /nfs/dbraw/zinc/46/60/51/182466051.db2.gz SLFBLMOLKCDGCO-BOAPOFAJSA-N 0 0 314.341 4.057 10 10 DICERN CC(C)CN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000040570554 183103849 /nfs/dbraw/zinc/10/38/49/183103849.db2.gz SCHMFWATRIOGDF-AUWJEWJLSA-N 0 0 316.451 4.025 10 10 DICERN C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1O ZINC000183489052 337191857 /nfs/dbraw/zinc/19/18/57/337191857.db2.gz QKOJHDMBEJGQDM-FOIQADDNSA-N 0 0 304.393 4.227 10 10 DICERN C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1[O-] ZINC000185335562 337204205 /nfs/dbraw/zinc/20/42/05/337204205.db2.gz MITFQKGTIMFOFR-VLIAUNLRSA-N 0 0 322.383 4.367 10 10 DICERN Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000186444992 337256135 /nfs/dbraw/zinc/25/61/35/337256135.db2.gz CTBYLTCAPUVUMQ-CYBMUJFWSA-N 0 0 310.397 4.149 10 10 DICERN CCOCCNc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000584599659 337370661 /nfs/dbraw/zinc/37/06/61/337370661.db2.gz MPUKFEUHIWOSNI-UHFFFAOYSA-N 0 0 303.789 4.019 10 10 DICERN O=CC1=CC(=NNc2ccc(Cl)c([N+](=O)[O-])c2)C=CC1=O ZINC000584613411 337372561 /nfs/dbraw/zinc/37/25/61/337372561.db2.gz ASDXGDWSOMOXOZ-FOCLMDBBSA-N 0 0 305.677 4.182 10 10 DICERN O=C1N=C(N2CCCCCC2)S/C1=C\c1cccc(Cl)c1 ZINC000048512984 563466655 /nfs/dbraw/zinc/46/66/55/563466655.db2.gz CCTYDJXMFMHUSA-KAMYIIQDSA-N 0 0 320.845 4.186 10 10 DICERN O=C(c1ccc(C=S)cc1)c1cccc(Br)c1 ZINC000257352417 203068782 /nfs/dbraw/zinc/06/87/82/203068782.db2.gz LFFBZTVLZZTQLS-UHFFFAOYSA-N 0 0 305.196 4.028 10 10 DICERN CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 ZINC000007885462 181504936 /nfs/dbraw/zinc/50/49/36/181504936.db2.gz ILHFMLSFLLRFGH-LIRRHRJNSA-N 0 0 323.440 4.118 10 10 DICERN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2 ZINC000013636992 181871240 /nfs/dbraw/zinc/87/12/40/181871240.db2.gz XUWSWYZBVAMUFX-HDMKZQKVSA-N 0 0 308.337 4.127 10 10 DICERN CN(C)c1ccc([C@H]2Nc3c(O)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000013643720 181873051 /nfs/dbraw/zinc/87/30/51/181873051.db2.gz BXHOMFHTOXTHNN-FRQCXROJSA-N 0 0 306.409 4.285 10 10 DICERN COC(=O)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21 ZINC000014548635 181957876 /nfs/dbraw/zinc/95/78/76/181957876.db2.gz ICUGALZLBNLSTI-ZUCKAHLUSA-N 0 0 311.406 4.361 10 10 DICERN CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2 ZINC000014549008 181958355 /nfs/dbraw/zinc/95/83/55/181958355.db2.gz XOLWTRBFXQQTQW-PMUMKWKESA-N 0 0 324.449 4.276 10 10 DICERN CN(C)C(=O)c1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000014551437 181958939 /nfs/dbraw/zinc/95/89/39/181958939.db2.gz BCFGRNSUMQCCER-FRQCXROJSA-N 0 0 318.420 4.215 10 10 DICERN CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000014551685 181959059 /nfs/dbraw/zinc/95/90/59/181959059.db2.gz LNDSIZVTLCPIFI-HLIPFELVSA-N 0 0 318.420 4.263 10 10 DICERN NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000014464873 181953567 /nfs/dbraw/zinc/95/35/67/181953567.db2.gz AHRNMLRQLBHKRZ-GRDNDAEWSA-N 0 0 324.811 4.265 10 10 DICERN Cc1cc(N[C@H](C)c2ccc(O)cc2O)ccc1Br ZINC000019908117 182163326 /nfs/dbraw/zinc/16/33/26/182163326.db2.gz ZMPQUVSNQUHDLF-SNVBAGLBSA-N 0 0 322.202 4.342 10 10 DICERN Nc1ccc(CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000020186860 182195468 /nfs/dbraw/zinc/19/54/68/182195468.db2.gz VFQQUJBLJPOCLA-UHFFFAOYSA-N 0 0 309.196 4.147 10 10 DICERN C[C@@H](Oc1ccc(N)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000040354150 183056197 /nfs/dbraw/zinc/05/61/97/183056197.db2.gz MGULSWCWORMELW-SECBINFHSA-N 0 0 310.180 4.226 10 10 DICERN C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000042859859 183314954 /nfs/dbraw/zinc/31/49/54/183314954.db2.gz JEKWWBIFUMGHED-RYUDHWBXSA-N 0 0 312.251 4.071 10 10 DICERN Cc1ccc([C@@H](C)N[C@@H](c2nc(C3CC3)no2)C(C)C)c(O)c1 ZINC000186037920 333216781 /nfs/dbraw/zinc/21/67/81/333216781.db2.gz DFVNTCHWOKHONS-MLGOLLRUSA-N 0 0 315.417 4.009 10 10 DICERN Cc1ccc([C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)c(O)c1 ZINC000186445386 337256134 /nfs/dbraw/zinc/25/61/34/337256134.db2.gz HCCKKSIKQVTSKZ-ZDUSSCGKSA-N 0 0 310.397 4.149 10 10 DICERN O=CC1=CC(=NNc2ccc(Cl)cc2[N+](=O)[O-])C=CC1=O ZINC000584613536 337372553 /nfs/dbraw/zinc/37/25/53/337372553.db2.gz PVFZTNBTDNROKM-FOCLMDBBSA-N 0 0 305.677 4.182 10 10 DICERN Fc1cccc2c1N[C@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@H]21 ZINC000004975281 181182908 /nfs/dbraw/zinc/18/29/08/181182908.db2.gz RYDZXIMBOQKUED-ZJNRKIDTSA-N 0 0 309.340 4.381 10 10 DICERN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000005073694 181201104 /nfs/dbraw/zinc/20/11/04/181201104.db2.gz DCEMBRSAZKUHSJ-FCEWJHQRSA-N 0 0 322.364 4.430 10 10 DICERN O=C1c2cccnc2SC1c1nc2cc(Cl)ccc2[nH]1 ZINC000006585770 181357833 /nfs/dbraw/zinc/35/78/33/181357833.db2.gz ATVKFUZUHFIBAQ-UHFFFAOYSA-N 0 0 301.758 4.199 10 10 DICERN CN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 ZINC000013527463 181857908 /nfs/dbraw/zinc/85/79/08/181857908.db2.gz BQYLYGKCCJLIKQ-UHFFFAOYSA-N 0 0 312.764 4.436 10 10 DICERN Cc1c2c(ccc1[N+](=O)[O-])[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2 ZINC000013636877 181871225 /nfs/dbraw/zinc/87/12/25/181871225.db2.gz VSQQRWWQSNZSAB-KHYOSLBOSA-N 0 0 322.364 4.435 10 10 DICERN O=[N+]([O-])c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21 ZINC000013637044 181871486 /nfs/dbraw/zinc/87/14/86/181871486.db2.gz AATKJCGSWJFEBX-ZQIUZPCESA-N 0 0 308.337 4.127 10 10 DICERN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 ZINC000013639618 181872015 /nfs/dbraw/zinc/87/20/15/181872015.db2.gz XBKDRCLDGRSADB-STXHMFSFSA-N 0 0 323.392 4.323 10 10 DICERN Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000014547239 181958014 /nfs/dbraw/zinc/95/80/14/181958014.db2.gz LAPDLZRJKFNYHJ-SUNYJGFJSA-N 0 0 307.353 4.125 10 10 DICERN O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2 ZINC000014548532 181958017 /nfs/dbraw/zinc/95/80/17/181958017.db2.gz WROXROXDYGEHGH-YHAQOWFVSA-N 0 0 314.366 4.188 10 10 DICERN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(O)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000014471505 181954131 /nfs/dbraw/zinc/95/41/31/181954131.db2.gz CNWFFCHPHGGVKS-MPGHIAIKSA-N 0 0 308.337 4.127 10 10 DICERN Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21 ZINC000014473858 181954148 /nfs/dbraw/zinc/95/41/48/181954148.db2.gz LQYPDQIJGHHAIW-JMERFSKESA-N 0 0 322.364 4.435 10 10 DICERN Cc1c2c(ccc1[N+](=O)[O-])[C@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2 ZINC000014473898 181954309 /nfs/dbraw/zinc/95/43/09/181954309.db2.gz YHAPGVBQHVMQMT-WTOJCKNJSA-N 0 0 322.364 4.435 10 10 DICERN CC(Nc1ccc(C)c(C)c1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000017055002 182072654 /nfs/dbraw/zinc/07/26/54/182072654.db2.gz BGRGUFVPQLLPHA-XDJHFCHBSA-N 0 0 319.408 4.412 10 10 DICERN C[C@@H](Nc1ccccc1Br)c1ccc(O)cc1O ZINC000019922675 182164232 /nfs/dbraw/zinc/16/42/32/182164232.db2.gz BVOARQXCOQPETC-SECBINFHSA-N 0 0 308.175 4.033 10 10 DICERN C[C@@H](Nc1ccc(Br)cc1)c1ccc(O)cc1O ZINC000019923112 182164975 /nfs/dbraw/zinc/16/49/75/182164975.db2.gz FJUIVWOURGGXLM-SECBINFHSA-N 0 0 308.175 4.033 10 10 DICERN C[C@H](Nc1ccc(Br)cc1)c1cc(O)ccc1O ZINC000019923168 182165185 /nfs/dbraw/zinc/16/51/85/182165185.db2.gz ZWHQPMKYNZOWMA-VIFPVBQESA-N 0 0 308.175 4.033 10 10 DICERN C[C@H](Nc1cccc(Br)c1)c1cc(O)ccc1O ZINC000019941812 182168067 /nfs/dbraw/zinc/16/80/67/182168067.db2.gz IFOPEYBHDCXCFO-VIFPVBQESA-N 0 0 308.175 4.033 10 10 DICERN COc1ccc([C@H](C)Nc2cccc(Br)c2)c(O)c1 ZINC000020090420 182186072 /nfs/dbraw/zinc/18/60/72/182186072.db2.gz CBPUXYPMRXMEQU-JTQLQIEISA-N 0 0 322.202 4.336 10 10 DICERN CCc1ccc(O)c([C@@H]2CC(c3ccc(Cl)cc3)=NN2)c1 ZINC000020390270 182213620 /nfs/dbraw/zinc/21/36/20/182213620.db2.gz DFCDGUKPCOSEAS-INIZCTEOSA-N 0 0 300.789 4.047 10 10 DICERN Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000020980481 182256735 /nfs/dbraw/zinc/25/67/35/182256735.db2.gz LGTTZTISZFJCBK-UHFFFAOYSA-N 0 0 313.404 4.393 10 10 DICERN Cc1cccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)c1C ZINC000027231278 182466659 /nfs/dbraw/zinc/46/66/59/182466659.db2.gz MWBJMPQCOVASEG-NTEUORMPSA-N 0 0 314.435 4.037 10 10 DICERN O=C(CSc1nccs1)c1cc(Cl)ccc1Cl ZINC000041663892 183213229 /nfs/dbraw/zinc/21/32/29/183213229.db2.gz VZJCLQWYUDQSLO-UHFFFAOYSA-N 0 0 304.223 4.425 10 10 DICERN C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000042859858 183315233 /nfs/dbraw/zinc/31/52/33/183315233.db2.gz JEKWWBIFUMGHED-NEPJUHHUSA-N 0 0 312.251 4.071 10 10 DICERN C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000042859854 183315375 /nfs/dbraw/zinc/31/53/75/183315375.db2.gz JEKWWBIFUMGHED-VXGBXAGGSA-N 0 0 312.251 4.071 10 10 DICERN CCCCN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 ZINC000066129584 184391443 /nfs/dbraw/zinc/39/14/43/184391443.db2.gz BTROQEXXGGZBPG-LJQANCHMSA-N 0 0 323.440 4.119 10 10 DICERN C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1O ZINC000183489038 337191836 /nfs/dbraw/zinc/19/18/36/337191836.db2.gz QKOJHDMBEJGQDM-MGPUTAFESA-N 0 0 304.393 4.227 10 10 DICERN C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1O ZINC000183489017 337191901 /nfs/dbraw/zinc/19/19/01/337191901.db2.gz QKOJHDMBEJGQDM-QRWLVFNGSA-N 0 0 304.393 4.227 10 10 DICERN Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000186445012 337256129 /nfs/dbraw/zinc/25/61/29/337256129.db2.gz CTBYLTCAPUVUMQ-ZDUSSCGKSA-N 0 0 310.397 4.149 10 10 DICERN Nc1ccc(Oc2nc(Cl)nc3c4ccccc4[nH]c32)cc1 ZINC000073736458 191349124 /nfs/dbraw/zinc/34/91/24/191349124.db2.gz BHHCBUFHXJCAPE-UHFFFAOYSA-N 0 0 310.744 4.139 10 10 DICERN CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 ZINC000007885458 181504780 /nfs/dbraw/zinc/50/47/80/181504780.db2.gz ILHFMLSFLLRFGH-IFXJQAMLSA-N 0 0 323.440 4.118 10 10 DICERN CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2 ZINC000014549007 181958267 /nfs/dbraw/zinc/95/82/67/181958267.db2.gz XOLWTRBFXQQTQW-HBUWYVDXSA-N 0 0 324.449 4.276 10 10 DICERN COC(=O)c1cccc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21 ZINC000014551334 181958874 /nfs/dbraw/zinc/95/88/74/181958874.db2.gz WKJHFTHYCJZRFD-MPGHIAIKSA-N 0 0 305.377 4.300 10 10 DICERN COc1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1O ZINC000014457210 181952857 /nfs/dbraw/zinc/95/28/57/181952857.db2.gz CALLSPZNLABKMG-ZJNRKIDTSA-N 0 0 311.356 4.366 10 10 DICERN CNC(=O)c1cccc2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21 ZINC000014458666 181953405 /nfs/dbraw/zinc/95/34/05/181953405.db2.gz SAXBHNYLVSDMKJ-FRQCXROJSA-N 0 0 318.420 4.181 10 10 DICERN O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(O)cc2[C@H]2C=CC[C@H]21 ZINC000014477926 181955005 /nfs/dbraw/zinc/95/50/05/181955005.db2.gz RFRSUHGEXMCAOS-VEVIJQCQSA-N 0 0 308.337 4.127 10 10 DICERN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000019846276 182156646 /nfs/dbraw/zinc/15/66/46/182156646.db2.gz ACQVHDCLAZDSTO-CYBMUJFWSA-N 0 0 300.427 4.005 10 10 DICERN Cc1cc(Br)ccc1N[C@H](C)c1ccc(O)cc1O ZINC000019905609 182162383 /nfs/dbraw/zinc/16/23/83/182162383.db2.gz ARFNAEPMWXDUAA-SNVBAGLBSA-N 0 0 322.202 4.342 10 10 DICERN COc1ccc(O)c([C@H](C)Nc2ccccc2Br)c1 ZINC000019922760 182164375 /nfs/dbraw/zinc/16/43/75/182164375.db2.gz PIEKRFVZGBTDBC-JTQLQIEISA-N 0 0 322.202 4.336 10 10 DICERN COc1ccc([C@@H](C)Nc2cccc(Br)c2)c(O)c1 ZINC000020090418 182185995 /nfs/dbraw/zinc/18/59/95/182185995.db2.gz CBPUXYPMRXMEQU-SNVBAGLBSA-N 0 0 322.202 4.336 10 10 DICERN Nc1ccc(CCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000020186862 182195318 /nfs/dbraw/zinc/19/53/18/182195318.db2.gz GCBXGOBKQCAECH-UHFFFAOYSA-N 0 0 309.196 4.147 10 10 DICERN C[C@H]1CCc2c(sc3ncnc(Oc4ccc(N)cc4)c23)C1 ZINC000020335814 182208899 /nfs/dbraw/zinc/20/88/99/182208899.db2.gz KYHLYNBUQSZLLB-JTQLQIEISA-N 0 0 311.410 4.191 10 10 DICERN CN(C)c1ccc(CNc2ccc(F)cc2Br)cc1 ZINC000020430643 182216380 /nfs/dbraw/zinc/21/63/80/182216380.db2.gz VRUOTEPUNXWTTQ-UHFFFAOYSA-N 0 0 323.209 4.266 10 10 DICERN C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(F)cc1[O-] ZINC000062747476 184252087 /nfs/dbraw/zinc/25/20/87/184252087.db2.gz KXCNEUPNDGGYHH-BMQDGWLCSA-N 0 0 305.315 4.303 10 10 DICERN Cc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)c(O)c1 ZINC000186048718 337253049 /nfs/dbraw/zinc/25/30/49/337253049.db2.gz VNGNYCYELITIKW-OAHLLOKOSA-N 0 0 319.408 4.008 10 10 DICERN Nc1ccc(Oc2ccc3[nH]c(-c4cccc(N)c4)nc3c2)cc1 ZINC000000354078 563243649 /nfs/dbraw/zinc/24/36/49/563243649.db2.gz DJVLHAGAFKQONF-UHFFFAOYSA-N 0 0 316.364 4.187 10 10 DICERN O=C1c2c(O)c3ccccc3c(Cl)c2C(=O)[C@H]2CC=CC[C@H]12 ZINC000108218118 563715405 /nfs/dbraw/zinc/71/54/05/563715405.db2.gz BCQJUUDWYRSWHD-RYUDHWBXSA-N 0 0 312.752 4.160 10 10 DICERN O=C1c2c(O)c3ccccc3c(Cl)c2C(=O)[C@H]2CC=CC[C@@H]12 ZINC000108218125 563715422 /nfs/dbraw/zinc/71/54/22/563715422.db2.gz BCQJUUDWYRSWHD-NWDGAFQWSA-N 0 0 312.752 4.160 10 10 DICERN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 ZINC000004151335 181079142 /nfs/dbraw/zinc/07/91/42/181079142.db2.gz QAGVPBFVSRSBKZ-BXWFABGCSA-N 0 0 320.392 4.085 10 10 DICERN Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccn1)[C@@H]1CC=C[C@H]21 ZINC000004450181 181110033 /nfs/dbraw/zinc/11/00/33/181110033.db2.gz UDEJMUPWFWOMJX-PMUMKWKESA-N 0 0 307.353 4.125 10 10 DICERN Nc1ccc(Oc2nc(Cl)nc3ccc(Cl)cc32)cc1 ZINC000073735588 191349246 /nfs/dbraw/zinc/34/92/46/191349246.db2.gz WIFGGGYYZAMEBP-UHFFFAOYSA-N 0 0 306.152 4.311 10 10 DICERN COc1ccc(OC)c2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21 ZINC000013636928 181871251 /nfs/dbraw/zinc/87/12/51/181871251.db2.gz WIOSTTKPIRXLNH-DOXZYTNZSA-N 0 0 323.392 4.236 10 10 DICERN COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2 ZINC000014548572 181957831 /nfs/dbraw/zinc/95/78/31/181957831.db2.gz LXAJSKHHNPGJHT-GDZNZVCISA-N 0 0 311.406 4.361 10 10 DICERN CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2 ZINC000014549006 181958370 /nfs/dbraw/zinc/95/83/70/181958370.db2.gz XOLWTRBFXQQTQW-SUNYJGFJSA-N 0 0 324.449 4.276 10 10 DICERN COC(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21 ZINC000014474129 181954145 /nfs/dbraw/zinc/95/41/45/181954145.db2.gz DZLSJHCPJYWBAF-ZJNRKIDTSA-N 0 0 321.376 4.005 10 10 DICERN CC(Nc1ccc(C)cc1C)=C1C(C)=NN(c2ccccc2)C1=O ZINC000017054996 182072581 /nfs/dbraw/zinc/07/25/81/182072581.db2.gz BVQJWECVCGLZRW-XDJHFCHBSA-N 0 0 319.408 4.412 10 10 DICERN Cc1ccc(N[C@@H](C)c2cc(O)ccc2O)c(Br)c1 ZINC000019901647 182162206 /nfs/dbraw/zinc/16/22/06/182162206.db2.gz KZMZXTNXNLFIEU-JTQLQIEISA-N 0 0 322.202 4.342 10 10 DICERN C[C@@H](Nc1ccc(Br)cc1)c1cc(O)ccc1O ZINC000019923166 182165189 /nfs/dbraw/zinc/16/51/89/182165189.db2.gz ZWHQPMKYNZOWMA-SECBINFHSA-N 0 0 308.175 4.033 10 10 DICERN C[N@H+](Cc1cc(Cl)c2cccnc2c1[O-])C1CCCCC1 ZINC000019891839 182161469 /nfs/dbraw/zinc/16/14/69/182161469.db2.gz RYDQAYRPQQDEEX-UHFFFAOYSA-N 0 0 304.821 4.358 10 10 DICERN Cc1ccc([C@H](C)N[C@@H](c2nc(C3CC3)no2)C(C)C)c(O)c1 ZINC000186037939 333216768 /nfs/dbraw/zinc/21/67/68/333216768.db2.gz DFVNTCHWOKHONS-BLLLJJGKSA-N 0 0 315.417 4.009 10 10 DICERN C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1[O-] ZINC000185335596 337204236 /nfs/dbraw/zinc/20/42/36/337204236.db2.gz MITFQKGTIMFOFR-JLTOFOAXSA-N 0 0 322.383 4.367 10 10 DICERN CN(C)C(=O)c1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21 ZINC000014548755 181957982 /nfs/dbraw/zinc/95/79/82/181957982.db2.gz VTLYVQJPHCIECN-DFHBCGBQSA-N 0 0 324.449 4.276 10 10 DICERN COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(O)c1)N2 ZINC000014457022 181952658 /nfs/dbraw/zinc/95/26/58/181952658.db2.gz TZJOBNXFOXGFEO-SXGZJXTBSA-N 0 0 323.392 4.236 10 10 DICERN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 ZINC000014473624 181954117 /nfs/dbraw/zinc/95/41/17/181954117.db2.gz HUNRCHRMYIJDPK-STXHMFSFSA-N 0 0 320.392 4.177 10 10 DICERN Nc1ccc(Oc2ccc3cc(Br)ccc3c2)nc1 ZINC000019479123 182125272 /nfs/dbraw/zinc/12/52/72/182125272.db2.gz YVSFMLLZXVCASW-UHFFFAOYSA-N 0 0 315.170 4.372 10 10 DICERN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1C ZINC000019846446 182156601 /nfs/dbraw/zinc/15/66/01/182156601.db2.gz FHQNQAFKLNUXIS-ZDUSSCGKSA-N 0 0 300.427 4.005 10 10 DICERN C[C@H](Nc1ccc(Br)cc1)c1ccc(O)cc1O ZINC000019923115 182165096 /nfs/dbraw/zinc/16/50/96/182165096.db2.gz FJUIVWOURGGXLM-VIFPVBQESA-N 0 0 308.175 4.033 10 10 DICERN C[C@H](c1ccccc1O)N(C)C(=O)Nc1cccc(Cl)c1 ZINC000037982880 182952958 /nfs/dbraw/zinc/95/29/58/182952958.db2.gz JRNRYRWUZFZKFG-LLVKDONJSA-N 0 0 304.777 4.271 10 10 DICERN Cc1ccc(Cl)c(NC(=O)CCc2ccc(N)cc2)c1Cl ZINC000038051646 182982561 /nfs/dbraw/zinc/98/25/61/182982561.db2.gz PCYPSGOYXPTVCA-UHFFFAOYSA-N 0 0 323.223 4.455 10 10 DICERN Nc1ccc(OC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000040352071 183056128 /nfs/dbraw/zinc/05/61/28/183056128.db2.gz NSBALHPLYMCAGI-FQEVSTJZSA-N 0 0 305.377 4.048 10 10 DICERN Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(C(C)C)C1=O ZINC000040570612 183103595 /nfs/dbraw/zinc/10/35/95/183103595.db2.gz RNZLVKHCHCYQJR-ZSOIEALJSA-N 0 0 316.451 4.086 10 10 DICERN Cc1ccc([C@@H](C)N[C@H](c2nc(C3CC3)no2)C(C)C)c(O)c1 ZINC000186037962 333216775 /nfs/dbraw/zinc/21/67/75/333216775.db2.gz DFVNTCHWOKHONS-WBMJQRKESA-N 0 0 315.417 4.009 10 10 DICERN CC[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1O ZINC000186374825 337256858 /nfs/dbraw/zinc/25/68/58/337256858.db2.gz NIJIEYOBCVRHHW-INIZCTEOSA-N 0 0 310.397 4.230 10 10 DICERN C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000248518150 337564275 /nfs/dbraw/zinc/56/42/75/337564275.db2.gz PSRYECOBAOYFOI-BKTGTZMESA-N 0 0 315.388 4.102 10 10 DICERN CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000014551192 181958535 /nfs/dbraw/zinc/95/85/35/181958535.db2.gz QOUILXOTHAHPSN-WFXMLNOXSA-N 0 0 318.420 4.496 10 10 DICERN CNC(=O)c1cccc2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 ZINC000014458668 181953148 /nfs/dbraw/zinc/95/31/48/181953148.db2.gz SAXBHNYLVSDMKJ-TXPKVOOTSA-N 0 0 318.420 4.181 10 10 DICERN COc1cc([C@H]2Nc3c(OC)cccc3[C@H]3C=CC[C@@H]32)ccc1O ZINC000014459111 181953308 /nfs/dbraw/zinc/95/33/08/181953308.db2.gz JHBJSITXWPXHNN-CKFHNAJUSA-N 0 0 323.392 4.236 10 10 DICERN Cc1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000014471681 181954182 /nfs/dbraw/zinc/95/41/82/181954182.db2.gz DVKYZFVWOOWHTI-MPGHIAIKSA-N 0 0 322.364 4.435 10 10 DICERN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(O)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014471499 181954235 /nfs/dbraw/zinc/95/42/35/181954235.db2.gz CNWFFCHPHGGVKS-HDMKZQKVSA-N 0 0 308.337 4.127 10 10 DICERN Cc1cc(Br)ccc1N[C@@H](C)c1ccc(O)cc1O ZINC000019905610 182163265 /nfs/dbraw/zinc/16/32/65/182163265.db2.gz ARFNAEPMWXDUAA-JTQLQIEISA-N 0 0 322.202 4.342 10 10 DICERN Nc1ccc(OC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000040352069 183056151 /nfs/dbraw/zinc/05/61/51/183056151.db2.gz NSBALHPLYMCAGI-HXUWFJFHSA-N 0 0 305.377 4.048 10 10 DICERN CCc1nc2ccccc2n1CCCCOc1ccc(N)cc1 ZINC000041582649 183207137 /nfs/dbraw/zinc/20/71/37/183207137.db2.gz FUADIQDYINESRI-UHFFFAOYSA-N 0 0 309.413 4.040 10 10 DICERN Cc1ccc(O)c([C@H](C)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000186037293 333216749 /nfs/dbraw/zinc/21/67/49/333216749.db2.gz SCHLDAYJGWJOAF-BLLLJJGKSA-N 0 0 315.417 4.009 10 10 DICERN C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1[O-] ZINC000185335546 337204199 /nfs/dbraw/zinc/20/41/99/337204199.db2.gz MITFQKGTIMFOFR-XOBRGWDASA-N 0 0 322.383 4.367 10 10 DICERN Cc1ccc(O)c([C@H](C)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000186048686 337253043 /nfs/dbraw/zinc/25/30/43/337253043.db2.gz VNMXHPVCTZVQTI-HNNXBMFYSA-N 0 0 319.408 4.008 10 10 DICERN CC[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1O ZINC000186374842 337256834 /nfs/dbraw/zinc/25/68/34/337256834.db2.gz NIJIEYOBCVRHHW-MRXNPFEDSA-N 0 0 310.397 4.230 10 10 DICERN Nc1ccc(/N=N/c2ccc(I)cc2)cc1 ZINC000584635715 337375984 /nfs/dbraw/zinc/37/59/84/337375984.db2.gz HRNGBRDRDPNNNO-FOCLMDBBSA-N 0 0 323.137 4.289 10 10 DICERN COc1ccccc1NC(=O)C1=C(C)Nc2ccccc2S1 ZINC000000542856 180817723 /nfs/dbraw/zinc/81/77/23/180817723.db2.gz QHZBOSWUTMUJND-UHFFFAOYSA-N 0 0 312.394 4.083 10 10 DICERN CCC[C@H]1SC(=S)N(c2cccc3ccccc32)C1=O ZINC000003615423 181041530 /nfs/dbraw/zinc/04/15/30/181041530.db2.gz OZJRLXOZBCLKCE-CQSZACIVSA-N 0 0 301.436 4.373 10 10 DICERN CCCCOc1cc(N2CCCC2)c(OCCCC)cc1N ZINC000005114662 181204921 /nfs/dbraw/zinc/20/49/21/181204921.db2.gz LWCNNIJUQDICTR-UHFFFAOYSA-N 0 0 306.450 4.227 10 10 DICERN CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2 ZINC000013636504 181871147 /nfs/dbraw/zinc/87/11/47/181871147.db2.gz HFGXAZLIJWRMHK-QKLQHJQFSA-N 0 0 320.392 4.177 10 10 DICERN COc1ccc([C@@H]2Nc3c(O)ccc(C)c3[C@@H]3C=CC[C@H]32)cc1O ZINC000014457086 181952714 /nfs/dbraw/zinc/95/27/14/181952714.db2.gz AGZKZHRJXFWPJR-LPMFXHHGSA-N 0 0 323.392 4.241 10 10 DICERN Cc1ccc(C)c(S[C@@H](C)C(=O)Nc2ccc(N)cc2)c1 ZINC000019846548 182156342 /nfs/dbraw/zinc/15/63/42/182156342.db2.gz HNDPPJLAENFBGM-ZDUSSCGKSA-N 0 0 300.427 4.005 10 10 DICERN C[C@@H](Nc1cccc(Br)c1)c1cc(O)ccc1O ZINC000019941810 182168150 /nfs/dbraw/zinc/16/81/50/182168150.db2.gz IFOPEYBHDCXCFO-SECBINFHSA-N 0 0 308.175 4.033 10 10 DICERN CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCCC3)cc1 ZINC000020927751 182254223 /nfs/dbraw/zinc/25/42/23/182254223.db2.gz JFLOVQHCPWQTKH-UHFFFAOYSA-N 0 0 310.441 4.194 10 10 DICERN CCCCOC(=O)c1sc2nc(C)c3c(c2c1N)CCCC3 ZINC000040568349 183103589 /nfs/dbraw/zinc/10/35/89/183103589.db2.gz KDUDTAXFXGBJPE-UHFFFAOYSA-N 0 0 318.442 4.023 10 10 DICERN CC(C)c1nc2ccccc2n1CCCOc1ccc(N)cc1 ZINC000041582660 183207342 /nfs/dbraw/zinc/20/73/42/183207342.db2.gz ILRHLQIDZPIYIP-UHFFFAOYSA-N 0 0 309.413 4.211 10 10 DICERN CN(C)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1 ZINC000043505177 183368206 /nfs/dbraw/zinc/36/82/06/183368206.db2.gz LNIGBQNXJNNICD-MSUUIHNZSA-N 0 0 321.178 4.031 10 10 DICERN CCN(Cc1ccc(F)cc1Br)c1ccc(N)cc1 ZINC000063114977 184271841 /nfs/dbraw/zinc/27/18/41/184271841.db2.gz CQOACAKMBKMNRR-UHFFFAOYSA-N 0 0 323.209 4.197 10 10 DICERN COc1ccc(O)c([C@@H](C)Nc2cccc(-c3cnco3)c2)c1 ZINC000193910240 337080570 /nfs/dbraw/zinc/08/05/70/337080570.db2.gz VPYZGAARFWPBLA-GFCCVEGCSA-N 0 0 310.353 4.229 10 10 DICERN Cc1csc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000179962122 337172870 /nfs/dbraw/zinc/17/28/70/337172870.db2.gz QDJXHHIVXADAGS-UHFFFAOYSA-N 0 0 322.861 4.190 10 10 DICERN CC[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1O ZINC000186412637 337256005 /nfs/dbraw/zinc/25/60/05/337256005.db2.gz DMLLLLQCMWSWCW-SFHVURJKSA-N 0 0 319.408 4.090 10 10 DICERN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000185653922 522910748 /nfs/dbraw/zinc/91/07/48/522910748.db2.gz AHMSKTRCJIFBBQ-MEDUHNTESA-N 0 0 318.348 4.241 10 10 DICERN C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000248518153 1046841291 /nfs/dbraw/zinc/84/12/91/1046841291.db2.gz PSRYECOBAOYFOI-MJXNMMHHSA-N 0 0 315.388 4.102 10 10 DICERN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000004151337 181078999 /nfs/dbraw/zinc/07/89/99/181078999.db2.gz QAGVPBFVSRSBKZ-FCEWJHQRSA-N 0 0 320.392 4.085 10 10 DICERN Fc1cccc2c1N[C@H](c1ccc3c(c1)OCO3)[C@@H]1CC=C[C@H]21 ZINC000004975283 181183178 /nfs/dbraw/zinc/18/31/78/181183178.db2.gz RYDZXIMBOQKUED-VEVIJQCQSA-N 0 0 309.340 4.381 10 10 DICERN COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000005073691 181201487 /nfs/dbraw/zinc/20/14/87/181201487.db2.gz DCEMBRSAZKUHSJ-BXWFABGCSA-N 0 0 322.364 4.430 10 10 DICERN CCOc1ccc(C2=C/C(=C/c3ccc(F)cc3)C(=O)O2)cc1 ZINC000005718699 181276488 /nfs/dbraw/zinc/27/64/88/181276488.db2.gz ODCPTGXZZUGWOA-PTNGSMBKSA-N 0 0 310.324 4.206 10 10 DICERN Nc1ccc(COc2ccc(Cl)cc2Br)cc1 ZINC000011804859 181707697 /nfs/dbraw/zinc/70/76/97/181707697.db2.gz JQUPCQLQPLLLSC-UHFFFAOYSA-N 0 0 312.594 4.264 10 10 DICERN CNC(=O)c1cccc2c1N[C@H](c1sccc1C)[C@@H]1CC=C[C@H]21 ZINC000014456089 181952080 /nfs/dbraw/zinc/95/20/80/181952080.db2.gz GHZOZISHOCSWHN-MRRJBJDNSA-N 0 0 324.449 4.243 10 10 DICERN CN(C)C(=O)c1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 ZINC000014551435 181959171 /nfs/dbraw/zinc/95/91/71/181959171.db2.gz BCFGRNSUMQCCER-TXPKVOOTSA-N 0 0 318.420 4.215 10 10 DICERN COc1cccc([C@@H]2Nc3c(O)ccc(C)c3[C@@H]3C=CC[C@H]32)c1O ZINC000014459656 181953157 /nfs/dbraw/zinc/95/31/57/181953157.db2.gz IGMANNZFQCMCCN-SNUQEOBHSA-N 0 0 323.392 4.241 10 10 DICERN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 ZINC000014474009 181954365 /nfs/dbraw/zinc/95/43/65/181954365.db2.gz WWJKBXWNVUAWGW-PJIJBLCYSA-N 0 0 321.376 4.005 10 10 DICERN O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(O)cc2[C@H]2C=CC[C@@H]21 ZINC000014477928 181954703 /nfs/dbraw/zinc/95/47/03/181954703.db2.gz RFRSUHGEXMCAOS-ZJNRKIDTSA-N 0 0 308.337 4.127 10 10 DICERN O=[N+]([O-])c1ccccc1[C@H]1Nc2c(O)cccc2[C@H]2C=CC[C@@H]21 ZINC000014478024 181954822 /nfs/dbraw/zinc/95/48/22/181954822.db2.gz JBNSHLSBZFBBFZ-PRXAMGSTSA-N 0 0 308.337 4.127 10 10 DICERN C[C@@H](Nc1ccc(Br)cc1F)c1ccccc1O ZINC000019907986 182162990 /nfs/dbraw/zinc/16/29/90/182162990.db2.gz IARDOUZJXNBNDI-SECBINFHSA-N 0 0 310.166 4.467 10 10 DICERN Cc1nc2sc3c(c2c(Oc2ccc(N)cc2)n1)CCCC3 ZINC000020335816 182208978 /nfs/dbraw/zinc/20/89/78/182208978.db2.gz BGGUJHYWFCIXNJ-UHFFFAOYSA-N 0 0 311.410 4.253 10 10 DICERN CN(C)c1ccc(-c2nc3c(ccc4ccccc34)n2C)cc1 ZINC000027705901 182488638 /nfs/dbraw/zinc/48/86/38/182488638.db2.gz LPOHMGZWJOIBLA-UHFFFAOYSA-N 0 0 301.393 4.460 10 10 DICERN Cc1ccc(C(=O)[C@H](C)Oc2ccc(N)cc2)c2ccccc12 ZINC000040354182 183056053 /nfs/dbraw/zinc/05/60/53/183056053.db2.gz CGPVPCSAFDQJPQ-AWEZNQCLSA-N 0 0 305.377 4.381 10 10 DICERN Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 ZINC000059267198 184136409 /nfs/dbraw/zinc/13/64/09/184136409.db2.gz UDEJMUPWFWOMJX-HBUWYVDXSA-N 0 0 307.353 4.125 10 10 DICERN Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000000081158 563214604 /nfs/dbraw/zinc/21/46/04/563214604.db2.gz GYXARPDYRNLEGN-DAYGRLMNSA-N 0 0 307.353 4.004 10 10 DICERN COc1ccccc1[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21 ZINC000006955643 181428467 /nfs/dbraw/zinc/42/84/67/181428467.db2.gz IOULMYZLOXACCS-LXIYXOSZSA-N 0 0 322.364 4.430 10 10 DICERN Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21 ZINC000013636812 181871133 /nfs/dbraw/zinc/87/11/33/181871133.db2.gz JVXSTIATQVULNO-YZVOILCLSA-N 0 0 322.364 4.435 10 10 DICERN Cc1c2c(ccc1[N+](=O)[O-])[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2 ZINC000013636874 181871253 /nfs/dbraw/zinc/87/12/53/181871253.db2.gz VSQQRWWQSNZSAB-QMTMVMCOSA-N 0 0 322.364 4.435 10 10 DICERN Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 ZINC000014547229 181957894 /nfs/dbraw/zinc/95/78/94/181957894.db2.gz XUKJEWSZNDMONN-PMUMKWKESA-N 0 0 307.353 4.125 10 10 DICERN COc1cc([C@@H]2Nc3c(OC)cccc3[C@H]3C=CC[C@@H]32)ccc1O ZINC000014459112 181953185 /nfs/dbraw/zinc/95/31/85/181953185.db2.gz JHBJSITXWPXHNN-NJSLBKSFSA-N 0 0 323.392 4.236 10 10 DICERN Cc1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000014478016 181954750 /nfs/dbraw/zinc/95/47/50/181954750.db2.gz YKKFVZCIZQFLGK-SNUQEOBHSA-N 0 0 322.364 4.435 10 10 DICERN COc1ccc([C@@H]2Nc3ccc(O)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000014479124 181954952 /nfs/dbraw/zinc/95/49/52/181954952.db2.gz CFZJYDYHJJIQLG-MDOVXXIYSA-N 0 0 323.392 4.236 10 10 DICERN Cc1ccc(SCCC(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000019846287 182156290 /nfs/dbraw/zinc/15/62/90/182156290.db2.gz HWFGEIMBPONFAA-UHFFFAOYSA-N 0 0 300.427 4.007 10 10 DICERN Cc1ccc(NCc2ccc(N(C)C)cc2)c(Br)c1 ZINC000019901551 182162321 /nfs/dbraw/zinc/16/23/21/182162321.db2.gz WBDHEUFGLMGQEX-UHFFFAOYSA-N 0 0 319.246 4.436 10 10 DICERN CC[C@H](Nc1cccnc1)c1cc(Br)ccc1O ZINC000019884376 182161049 /nfs/dbraw/zinc/16/10/49/182161049.db2.gz VTBOMOZRWYMYOH-ZDUSSCGKSA-N 0 0 307.191 4.113 10 10 DICERN Nc1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000020186852 182195377 /nfs/dbraw/zinc/19/53/77/182195377.db2.gz JKOGEBYBROBWJY-UHFFFAOYSA-N 0 0 309.196 4.147 10 10 DICERN C[C@@H](c1ccccc1O)N(C)C(=O)Nc1ccc(Cl)cc1 ZINC000037982877 182952771 /nfs/dbraw/zinc/95/27/71/182952771.db2.gz JQMIUXMLXQEZMV-NSHDSACASA-N 0 0 304.777 4.271 10 10 DICERN C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000042859856 183315221 /nfs/dbraw/zinc/31/52/21/183315221.db2.gz JEKWWBIFUMGHED-NWDGAFQWSA-N 0 0 312.251 4.071 10 10 DICERN Cc1ccc(O)c([C@@H](C)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000186037278 333216765 /nfs/dbraw/zinc/21/67/65/333216765.db2.gz SCHLDAYJGWJOAF-MLGOLLRUSA-N 0 0 315.417 4.009 10 10 DICERN Cc1ccc(O)c([C@H](C)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000186037328 333216786 /nfs/dbraw/zinc/21/67/86/333216786.db2.gz SCHLDAYJGWJOAF-LRDDRELGSA-N 0 0 315.417 4.009 10 10 DICERN COc1ccc(C2=NC(=S)S[C@@H](c3ccccc3)C2)cc1 ZINC000000074447 180684701 /nfs/dbraw/zinc/68/47/01/180684701.db2.gz LHAIDWLVVWGJFO-MRXNPFEDSA-N 0 0 313.447 4.399 10 10 DICERN COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004132361 181077256 /nfs/dbraw/zinc/07/72/56/181077256.db2.gz PBFILKVCIGDQFW-BXWFABGCSA-N 0 0 323.367 4.439 10 10 DICERN O=[N+]([O-])c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21 ZINC000013637047 181871068 /nfs/dbraw/zinc/87/10/68/181871068.db2.gz AATKJCGSWJFEBX-JJRVBVJISA-N 0 0 308.337 4.127 10 10 DICERN COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)c1 ZINC000014550219 181958457 /nfs/dbraw/zinc/95/84/57/181958457.db2.gz KEPCIGSBSLGWOE-FCEWJHQRSA-N 0 0 322.364 4.430 10 10 DICERN COc1ccc([C@@H]2Nc3c(OC)cccc3[C@H]3C=CC[C@H]32)cc1O ZINC000014457194 181952808 /nfs/dbraw/zinc/95/28/08/181952808.db2.gz AGUUXRUASRNENV-KSMMKXTCSA-N 0 0 323.392 4.236 10 10 DICERN COc1cc([C@H]2Nc3c(OC)cccc3[C@H]3C=CC[C@H]32)ccc1O ZINC000014459113 181953215 /nfs/dbraw/zinc/95/32/15/181953215.db2.gz JHBJSITXWPXHNN-IQUTYRLHSA-N 0 0 323.392 4.236 10 10 DICERN COc1cccc([C@H]2Nc3c(OC)cccc3[C@H]3C=CC[C@@H]32)c1O ZINC000014459761 181953313 /nfs/dbraw/zinc/95/33/13/181953313.db2.gz JGLUWGCFOIUNNN-LXIYXOSZSA-N 0 0 323.392 4.236 10 10 DICERN COC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@H]21 ZINC000014474130 181954058 /nfs/dbraw/zinc/95/40/58/181954058.db2.gz DZLSJHCPJYWBAF-JCGVRSQUSA-N 0 0 321.376 4.005 10 10 DICERN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21 ZINC000014473903 181954213 /nfs/dbraw/zinc/95/42/13/181954213.db2.gz HUIZLLOQBSFXSA-NJSLBKSFSA-N 0 0 322.364 4.435 10 10 DICERN COC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21 ZINC000014474127 181954277 /nfs/dbraw/zinc/95/42/77/181954277.db2.gz DZLSJHCPJYWBAF-LXIYXOSZSA-N 0 0 321.376 4.005 10 10 DICERN Cc1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000014478017 181954718 /nfs/dbraw/zinc/95/47/18/181954718.db2.gz YKKFVZCIZQFLGK-VEVIJQCQSA-N 0 0 322.364 4.435 10 10 DICERN Cc1ccccc1[C@@H]1Nc2c(O)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21 ZINC000014478615 181954930 /nfs/dbraw/zinc/95/49/30/181954930.db2.gz GVHUZXIKAYTUPS-DEYYWGMASA-N 0 0 322.364 4.435 10 10 DICERN CCNc1nc(N)nc(Cl)c1/N=N/c1ccc(Cl)cc1 ZINC000017996043 182088891 /nfs/dbraw/zinc/08/88/91/182088891.db2.gz XNQJDZTZJFSYQN-FMQUCBEESA-N 0 0 311.176 4.213 10 10 DICERN Cc1ccc(N[C@H](C)c2ccc(O)cc2O)c(Br)c1 ZINC000019901626 182162272 /nfs/dbraw/zinc/16/22/72/182162272.db2.gz JEDDMSOGBBNWKU-SNVBAGLBSA-N 0 0 322.202 4.342 10 10 DICERN Cc1ccc(N[C@H](C)c2cc(O)ccc2O)c(Br)c1 ZINC000019901646 182162287 /nfs/dbraw/zinc/16/22/87/182162287.db2.gz KZMZXTNXNLFIEU-SNVBAGLBSA-N 0 0 322.202 4.342 10 10 DICERN Cc1cc(Br)ccc1N[C@H](C)c1cc(O)ccc1O ZINC000019905626 182162984 /nfs/dbraw/zinc/16/29/84/182162984.db2.gz CAKQYAUTVOLONH-SNVBAGLBSA-N 0 0 322.202 4.342 10 10 DICERN Cc1cc(N[C@H](C)c2cc(O)ccc2O)ccc1Br ZINC000019908133 182163097 /nfs/dbraw/zinc/16/30/97/182163097.db2.gz QWAPAUIEWNUJBD-SNVBAGLBSA-N 0 0 322.202 4.342 10 10 DICERN COc1ccc(O)c([C@@H](C)Nc2ccccc2Br)c1 ZINC000019922757 182164405 /nfs/dbraw/zinc/16/44/05/182164405.db2.gz PIEKRFVZGBTDBC-SNVBAGLBSA-N 0 0 322.202 4.336 10 10 DICERN C[C@H](Nc1ccccc1Br)c1ccc(O)cc1O ZINC000019922678 182164631 /nfs/dbraw/zinc/16/46/31/182164631.db2.gz BVOARQXCOQPETC-VIFPVBQESA-N 0 0 308.175 4.033 10 10 DICERN C[C@@H](Nc1cc(Br)ccc1F)c1ccccc1O ZINC000036751337 182840808 /nfs/dbraw/zinc/84/08/08/182840808.db2.gz XOXGCQITFOOGSH-SECBINFHSA-N 0 0 310.166 4.467 10 10 DICERN CCN(Cc1cc(Br)ccc1F)c1ccc(N)cc1 ZINC000063114904 184271780 /nfs/dbraw/zinc/27/17/80/184271780.db2.gz LRKAPMUZUGYWAR-UHFFFAOYSA-N 0 0 323.209 4.197 10 10 DICERN Cc1ccc(O)c([C@@H](C)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000186048673 337253116 /nfs/dbraw/zinc/25/31/16/337253116.db2.gz VNMXHPVCTZVQTI-OAHLLOKOSA-N 0 0 319.408 4.008 10 10 DICERN Cc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000048545750 563924052 /nfs/dbraw/zinc/92/40/52/563924052.db2.gz WSZWFQMBNZGSNB-VHEBQXMUSA-N 0 0 322.328 4.087 10 10 DICERN Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1 ZINC000090599572 185305727 /nfs/dbraw/zinc/30/57/27/185305727.db2.gz QTGLHUIMHLBQPM-UHFFFAOYSA-N 0 0 303.287 4.140 10 10 DICERN CCC[C@@H]1SC(=S)N(c2cccc3ccccc32)C1=O ZINC000003615420 181041267 /nfs/dbraw/zinc/04/12/67/181041267.db2.gz OZJRLXOZBCLKCE-AWEZNQCLSA-N 0 0 301.436 4.373 10 10 DICERN O=C1C=CC(Br)=CC1=NNc1ccc([N+](=O)[O-])cc1 ZINC000005714803 181275556 /nfs/dbraw/zinc/27/55/56/181275556.db2.gz ICPZHVCIHQIPMJ-CCEZHUSRSA-N 0 0 322.118 4.478 10 10 DICERN CCOc1cccc2c1N[C@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@H]21 ZINC000013639952 181872052 /nfs/dbraw/zinc/87/20/52/181872052.db2.gz SRQHNHHDJONOAS-KSMMKXTCSA-N 0 0 323.392 4.323 10 10 DICERN CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2 ZINC000014549005 181958491 /nfs/dbraw/zinc/95/84/91/181958491.db2.gz XOLWTRBFXQQTQW-QWQRMKEZSA-N 0 0 324.449 4.276 10 10 DICERN CNC(=O)c1cccc2c1N[C@@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21 ZINC000014458667 181953206 /nfs/dbraw/zinc/95/32/06/181953206.db2.gz SAXBHNYLVSDMKJ-FCEWJHQRSA-N 0 0 318.420 4.181 10 10 DICERN CNC(=O)c1cccc2c1N[C@H](c1cccc(C)c1)[C@@H]1CC=C[C@H]21 ZINC000014480237 181955479 /nfs/dbraw/zinc/95/54/79/181955479.db2.gz MCOMVLVAXSIWOT-FRQCXROJSA-N 0 0 318.420 4.181 10 10 DICERN Cc1cc(N[C@@H](C)c2ccc(O)cc2O)ccc1Br ZINC000019908118 182163109 /nfs/dbraw/zinc/16/31/09/182163109.db2.gz ZMPQUVSNQUHDLF-JTQLQIEISA-N 0 0 322.202 4.342 10 10 DICERN C[C@@H](Nc1cccc(Br)c1)c1ccc(O)cc1O ZINC000019941769 182168054 /nfs/dbraw/zinc/16/80/54/182168054.db2.gz LPTCSIFCJKRYGP-SECBINFHSA-N 0 0 308.175 4.033 10 10 DICERN Nc1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000020186856 182195744 /nfs/dbraw/zinc/19/57/44/182195744.db2.gz POULOURDYJWKMX-UHFFFAOYSA-N 0 0 309.196 4.147 10 10 DICERN Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000059267201 184136413 /nfs/dbraw/zinc/13/64/13/184136413.db2.gz KUIVETCXSLFXSG-VKJFTORMSA-N 0 0 307.353 4.125 10 10 DICERN